# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_A
_database_code_depnum_ccdc_archive 'CCDC 2178776'
loop_
_audit_author_name
_audit_author_address
'shuting Liu'
;Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_audit_creation_date             2022-04-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C30 H24 Cl0.729 Dy N6 O5.917, 2.271(Cl O4), C2 H3 N'
_chemical_formula_sum            'C32 H27 Cl3 Dy N7 O15'
_chemical_formula_weight         1018.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   17.2493(4)
_cell_length_b                   20.2699(5)
_cell_length_c                   21.2300(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7422.9(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9848
_cell_measurement_temperature    180.00
_cell_measurement_theta_max      26.021
_cell_measurement_theta_min      2.467
_shelx_estimated_absorpt_T_max   0.802
_shelx_estimated_absorpt_T_min   0.723
_exptl_absorpt_coefficient_mu    2.311
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0886 before and 0.0473 after correction.
The Ratio of minimum to maximum transmission is 0.7616.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4040
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            53064
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.046
_diffrn_reflns_theta_min         2.227
_diffrn_ambient_temperature      180.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6359
_reflns_number_total             7278
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.222
_refine_diff_density_min         -1.666
_refine_diff_density_rms         0.187
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     781
_refine_ls_number_reflns         7278
_refine_ls_number_restraints     1373
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0669
_refine_ls_restrained_S_all      1.929
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1019P)²+98.8209P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1898
_refine_ls_wR_factor_ref         0.1992
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C4-C10
 1.46 with sigma of 0.02
 C22-N12 = N10-C52 = C26-N1
 1.42 with sigma of 0.01
 C60-N8
 1.46 with sigma of 0.02
 N12-C60 = N10-C1 = N1-C4
 1.27 with sigma of 0.01
 C24-N1
 1.42 with sigma of 0.01
 N8-C60 = C10-C4 = C36-C1
 1.47 with sigma of 0.01
 C60-C42
 1.47 with sigma of 0.01
 Cl2-O11 = Cl2-O3 = Cl2-O13 = Cl2-O7
 1.5 with sigma of 0.02
 Cl3-O16 = Cl3-O18 = Cl3-O20 = Cl3-O21
 1.5 with sigma of 0.02
 N1-C26
 2.5 with sigma of 0.001
 C60-N8
 2.36 with sigma of 0.001
 Cl2-O7 \\sim Cl2A-O7A
 with sigma of 0.02
 O11-O7 \\sim O11A-O7A
 with sigma of 0.04
 Dy1-N8 \\sim Dy1-N5
 with sigma of 0.02
 O3-O7 \\sim O3A-O7A
 with sigma of 0.04
 O13-O7 \\sim O13A-O7A
 with sigma of 0.04
 C42-N12 \\sim C2-N9
 with sigma of 0.04
 C54-N10 \\sim C19-N2
 with sigma of 0.04
 N8-C48 \\sim N5-C35
 with sigma of 0.04
 C50-N10 \\sim C9-N2
 with sigma of 0.04
 N8-C60 \\sim N5-C13
 with sigma of 0.04
 C42-C46 \\sim C2-C17
 with sigma of 0.04
 C44-C60 \\sim C33-C13
 with sigma of 0.04
 N1-C4 \\sim N7-C41
 with sigma of 0.02
 C46-C58 \\sim C17-C5
 with sigma of 0.04
 N1-C24 \\sim N7-C21
 with sigma of 0.02
 C48-C56 \\sim C35-C39
 with sigma of 0.04
 C50-C54 \\sim C9-C19
 with sigma of 0.04
 Dy1-N1 \\sim Dy1-N7
 with sigma of 0.02
 C52-C56 \\sim C37-C39
 with sigma of 0.04
 N1-C10 \\sim N7-C55
 with sigma of 0.04
 N8-C42 \\sim N5-C2
 with sigma of 0.02
 N8-C50 \\sim N5-C9
 with sigma of 0.02
 N1-C26 \\sim N7-C43
 with sigma of 0.04
 C42-C44 \\sim C2-C33
 with sigma of 0.02
 C42-C60 \\sim C2-C13
 with sigma of 0.02
 N1-C34 \\sim N7-C47
 with sigma of 0.04
 C44-C46 \\sim C33-C17
 with sigma of 0.02
 Cl2-O11 \\sim Cl2-O3 \\sim Cl2-O13 \\sim Cl2-O7
 with sigma of 0.02
 C46-C48 \\sim C17-C35
 with sigma of 0.02
 C48-C50 \\sim C35-C9
 with sigma of 0.02
 O11-O13 \\sim O3-O7 \\sim O11-O7 \\sim O3-O13 \\sim O11-O3 \\sim O13-O7
 with sigma of 0.04
 C48-C58 \\sim C35-C5
 with sigma of 0.02
 O16-O20 \\sim O18-O21 \\sim O16-O21 \\sim O18-O20 \\sim O16-O18 \\sim O20-O21
 with sigma of 0.04
 C50-C52 \\sim C9-C37
 with sigma of 0.02
 C52-C54 \\sim C37-C19
 with sigma of 0.02
 C52-N10 \\sim C37-N2
 with sigma of 0.02
 C54-C56 \\sim C19-C39
 with sigma of 0.02
 C56-C58 \\sim C39-C5
 with sigma of 0.02
 Cl3-O16 \\sim Cl3-O18 \\sim Cl3-O20 \\sim Cl3-O21
 with sigma of 0.02
 N8-C44 \\sim N5-C33
 with sigma of 0.04
 N8-C52 \\sim N5-C37
 with sigma of 0.04
 Dy1-N12 \\sim Dy1-N9
 with sigma of 0.02
 C42-C50 \\sim C2-C9
 with sigma of 0.04
 Dy1-C42 \\sim Dy1-C2
 with sigma of 0.04
 Dy1-N10 \\sim Dy1-N2
 with sigma of 0.02
 C24-C28 \\sim C21-C11
 with sigma of 0.04
 Dy1-C50 \\sim Dy1-C9
 with sigma of 0.04
 Dy1-C52 \\sim Dy1-C37
 with sigma of 0.04
 Dy1-O6 \\sim Dy1-O17
 with sigma of 0.02
 C44-C48 \\sim C33-C35
 with sigma of 0.04
 C28-C32 \\sim C11-C23
 with sigma of 0.04
 C1-C52 \\sim C51-C37
 with sigma of 0.04
 C46-C50 \\sim C17-C9
 with sigma of 0.04
 Dy1-N6 \\sim Dy1-N11
 with sigma of 0.02
 C48-C52 \\sim C35-C37
 with sigma of 0.04
 C1-C36 \\sim C51-C3
 with sigma of 0.02
 C50-C58 \\sim C9-C5
 with sigma of 0.04
 C1-N10 \\sim C51-N2
 with sigma of 0.02
 C54-C58 \\sim C19-C5
 with sigma of 0.04
 C4-C10 \\sim C41-C55
 with sigma of 0.02
 C6-C8 \\sim C53-C27
 with sigma of 0.02
 C6-C14 \\sim C53-C57
 with sigma of 0.02
 C8-C10 \\sim C27-C55
 with sigma of 0.02
 C10-N4 \\sim C55-N3
 with sigma of 0.02
 C14-C22 \\sim C57-C61
 with sigma of 0.04
 N4-C12 \\sim N3-C7
 with sigma of 0.02
 C32-C38 \\sim C23-C49
 with sigma of 0.04
 C34-C40 \\sim C47-C25
 with sigma of 0.04
 C12-C14 \\sim C7-C57
 with sigma of 0.02
 C12-C22 \\sim C7-C61
 with sigma of 0.02
 Dy1-O1 \\sim Dy1-O15
 with sigma of 0.02
 C14-C16 \\sim C57-C29
 with sigma of 0.02
 C16-C18 \\sim C29-C59
 with sigma of 0.02
 C18-C20 \\sim C59-C15
 with sigma of 0.02
 Dy1-N4 \\sim Dy1-N3
 with sigma of 0.02
 C20-C22 \\sim C15-C61
 with sigma of 0.02
 C22-N12 \\sim C61-N9
 with sigma of 0.02
 C18-C22 \\sim C59-C61
 with sigma of 0.04
 C22-C60 \\sim C61-C13
 with sigma of 0.04
 C24-C26 \\sim C21-C43
 with sigma of 0.02
 C24-C34 \\sim C21-C47
 with sigma of 0.02
 C24-N6 \\sim C21-N11
 with sigma of 0.04
 C26-C30 \\sim C43-C45
 with sigma of 0.04
 C30-C40 \\sim C45-C25
 with sigma of 0.04
 C28-C30 \\sim C11-C45
 with sigma of 0.02
 C30-C32 \\sim C45-C23
 with sigma of 0.02
 C36-C40 \\sim C3-C25
 with sigma of 0.04
 C32-C34 \\sim C23-C47
 with sigma of 0.02
 C32-C40 \\sim C23-C25
 with sigma of 0.02
 C34-N6 \\sim C47-N11
 with sigma of 0.02
 N6-C36 \\sim N11-C3
 with sigma of 0.02
 C36-C38 \\sim C3-C49
 with sigma of 0.02
 C38-C40 \\sim C49-C25
 with sigma of 0.02
 N4-C14 \\sim N3-C57
 with sigma of 0.04
 Dy1-O4 \\sim Dy1-O2
 with sigma of 0.02
 C12-C20 \\sim C7-C15
 with sigma of 0.04
 N4-C22 \\sim N3-C61
 with sigma of 0.04
 C12-C16 \\sim C7-C29
 with sigma of 0.04
 C12-N12 \\sim C7-N9
 with sigma of 0.04
 C14-C18 \\sim C57-C59
 with sigma of 0.04
 C16-C20 \\sim C29-C15
 with sigma of 0.04
 C20-N12 \\sim C15-N9
 with sigma of 0.04
 C24-C32 \\sim C21-C23
 with sigma of 0.04
 C26-C34 \\sim C43-C47
 with sigma of 0.04
 C30-C34 \\sim C45-C47
 with sigma of 0.04
 C32-N6 \\sim C23-N11
 with sigma of 0.04
 C34-C36 \\sim C47-C3
 with sigma of 0.04
 N6-C38 \\sim N11-C49
 with sigma of 0.04
 C60-N12 \\sim C13-N9
 with sigma of 0.02
 C36-N10 \\sim C3-N2
 with sigma of 0.04
 C26-C28 \\sim C43-C11
 with sigma of 0.02
 Dy1-C1 \\sim Dy1-C51
 with sigma of 0.04
 Dy1-C4 \\sim Dy1-C41
 with sigma of 0.04
 Dy1-C10 \\sim Dy1-C55
 with sigma of 0.04
 Dy1-C12 \\sim Dy1-C7
 with sigma of 0.04
 Dy1-C22 \\sim Dy1-C61
 with sigma of 0.04
 Dy1-C24 \\sim Dy1-C21
 with sigma of 0.04
 Dy1-C34 \\sim Dy1-C47
 with sigma of 0.04
 Dy1-C36 \\sim Dy1-C3
 with sigma of 0.04
 Dy1-C60 \\sim Dy1-C13
 with sigma of 0.04
 C1-N6 \\sim C51-N11
 with sigma of 0.04
 C1-C38 \\sim C51-C49
 with sigma of 0.04
 C4-C8 \\sim C41-C27
 with sigma of 0.04
 C4-N4 \\sim C41-N3
 with sigma of 0.04
 C4-C24 \\sim C41-C21
 with sigma of 0.04
 C6-C10 \\sim C53-C55
 with sigma of 0.04
 C6-C12 \\sim C53-C7
 with sigma of 0.04
 C6-C16 \\sim C53-C29
 with sigma of 0.04
 C8-N4 \\sim C27-N3
 with sigma of 0.04
 C8-C14 \\sim C27-C57
 with sigma of 0.04
 C10-C12 \\sim C55-C7
 with sigma of 0.04
 Cl3-O20 \\sim Cl3-O5
 with sigma of 0.02
 Cl3-O18 \\sim Cl3-O19
 with sigma of 0.02
 Cl3-O21 \\sim Cl3-O9
 with sigma of 0.02
 Cl2-O11 \\sim Cl2A-O11A
 with sigma of 0.02
 Cl2-O3 \\sim Cl2A-O3A
 with sigma of 0.02
 Cl2-O13 \\sim Cl2A-O13A
 with sigma of 0.02
 O11-O3 \\sim O11A-O3A
 with sigma of 0.04
 O11-O13 \\sim O11A-O13A
 with sigma of 0.04
 O3-O13 \\sim O3A-O13A
 with sigma of 0.04
 Dy1-H6A \\sim Dy1-H6B
 with sigma of 0.02
 Dy1-H15A \\sim Dy1-H15B
 with sigma of 0.02
 Dy1-H1A \\sim Dy1-H1B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C1 \\sim C4 \\sim C6 \\sim C8 \\sim C10 \\sim C12 \\sim C14 \\sim C16 \\sim C18
\\sim C20 \\sim C22 \\sim C24 \\sim C26 \\sim C28 \\sim C30 \\sim C32 \\sim C34
\\sim C36 \\sim C38 \\sim C40 \\sim C42 \\sim C44 \\sim C46 \\sim C48 \\sim C50
\\sim C52 \\sim C54 \\sim C56 \\sim C58 \\sim C60 \\sim C62 \\sim C31: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
Cl2 \\sim O11 \\sim O3 \\sim O13 \\sim O7: within 2A with sigma of 0.04 and
sigma for terminal atoms of 0.08 within 2A
Cl3 \\sim O16 \\sim O18 \\sim O20 \\sim O21: within 2A with sigma of 0.04 and
sigma for terminal atoms of 0.08 within 2A
C13 \\sim C2 \\sim C33 \\sim C17 \\sim C35 \\sim C5 \\sim C39 \\sim C19 \\sim
C37: within 3.7A with sigma of 0.02 and sigma for terminal atoms of 0.01 within
3.7A
C47 \\sim C23 \\sim C25 \\sim C49 \\sim C3: within 3.7A with sigma of 0.02 and
sigma for terminal atoms of 0.01 within 3.7A
C29 \\sim C57 \\sim C53 \\sim C27 \\sim C55: within 3.7A with sigma of 0.02 and
sigma for terminal atoms of 0.01 within 3.7A
O7 \\sim Cl2 \\sim O11 \\sim O3 \\sim O13: within 2A with sigma of 0.02 and
sigma for terminal atoms of 0.01 within 2A
C61 \\sim C15 \\sim C59 \\sim C29 \\sim C57 \\sim C53 \\sim C27 \\sim C55:
within 2A with sigma of 0.02 and sigma for terminal atoms of 0.01 within 2A
Uanis(O10) \\sim Ueq, Uanis(O14) \\sim Ueq, Uanis(O12) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O17) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(O15) \\sim Ueq, Uanis(O1)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 Cl2, O11, O3, O13, O7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl3, O16, O18, O20, O21
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl2A, O11A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Cl2A, O3A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Sof(O9)=Sof(O19)=Sof(O5)=1-FVAR(1)
 Sof(O18)=Sof(O20)=Sof(O21)=FVAR(1)
 Sof(Cl2A)=Sof(O7A)=Sof(O11A)=Sof(O3A)=Sof(O13A)=1-FVAR(2)
 Sof(Cl2)=Sof(O11)=Sof(O3)=Sof(O13)=Sof(O7)=FVAR(2)
 Fixed Sof: O1(0.55) H1A(0.55) H1B(0.55) O4(0.55) H4A(0.55) H4B(0.55) O6(0.55)
 H6A(0.55) H6B(0.55) C1(0.55) H1(0.55) N1(0.55) C4(0.55) H4(0.55) C6(0.55)
 H6(0.55) C8(0.55) H8(0.55) C10(0.55) N4(0.55) C12(0.55) C14(0.55) C16(0.55)
 H16(0.55) C18(0.55) H18(0.55) C20(0.55) H20(0.55) C22(0.55) C24(0.55)
 C26(0.55) H26(0.55) C28(0.55) H28(0.55) C30(0.55) H30(0.55) C32(0.55)
 C34(0.55) N6(0.55) C36(0.55) C38(0.55) H38(0.55) C40(0.55) H40(0.55) N8(0.55)
 C42(0.55) C44(0.55) H44(0.55) C46(0.55) H46(0.55) C48(0.55) C50(0.55)
 C52(0.55) C54(0.55) H54(0.55) C56(0.55) H56(0.55) C58(0.55) H58(0.55)
 N10(0.55) C60(0.55) H60(0.55) N12(0.55) O15(0.45) H15A(0.45) H15B(0.45)
 O2(0.45) H2A(0.45) H2B(0.45) O17(0.45) H17A(0.45) H17B(0.45) N7(0.45) N2(0.45)
 N9(0.45) N5(0.45) C2(0.45) C33(0.45) H33(0.45) C17(0.45) H17(0.45) C35(0.45)
 C9(0.45) C37(0.45) C19(0.45) H19(0.45) C39(0.45) H39(0.45) C5(0.45) H5(0.45)
 C41(0.45) H41(0.45) C21(0.45) C43(0.45) H43(0.45) C11(0.45) H11(0.45)
 C45(0.45) H45(0.45) C23(0.45) C47(0.45) N11(0.45) C3(0.45) C49(0.45) H49(0.45)
 C25(0.45) H25(0.45) C51(0.45) H51(0.45) C13(0.45) H13(0.45) C53(0.45)
 H53(0.45) C27(0.45) H27(0.45) C55(0.45) N3(0.45) C7(0.45) C57(0.45) C29(0.45)
 H29(0.45) C59(0.45) H59(0.45) C15(0.45) H15(0.45) C61(0.45)
6.a Everything fixed:
 O11, O3, O13, O7
6.b Free rotating group:
 O1(H1A,H1B), O6(H6A,H6B), O15(H15A,H15B)
6.c Rotating group:
 O4(H4A,H4B), O2(H2A,H2B), O17(H17A,H17B)
6.d Ternary CH refined with riding coordinates:
 C27(H27)
6.e Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C6(H6), C8(H8), C16(H16), C18(H18), C20(H20), C26(H26),
 C28(H28), C30(H30), C38(H38), C40(H40), C44(H44), C46(H46), C54(H54), C56(H56),
  C58(H58), C60(H60), C33(H33), C17(H17), C19(H19), C39(H39), C5(H5), C41(H41),
 C43(H43), C11(H11), C45(H45), C49(H49), C25(H25), C51(H51), C13(H13), C53(H53),
  C29(H29), C59(H59), C15(H15)
6.f Naphthalene refined as free rotating group:
 C6(C8,C10,N4,C12,C14,C16,C18,C20,C22), C24(C26,C28,C30,C32,C34,N6,C36,C38,
 C40), N8(C42,C44,C46,C48,C50,C52,C54,C56,C58), N5(C2,C33,C17,C35,C9,C37,C19,
 C39,C5), C21(C43,C11,C45,C23,C47,N11,C3,C49,C25), C53(C27,C55,N3,C7,C57,C29,
 C59,C15,C61)
6.g Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.24025(2) 0.57615(2) 0.54407(2) 0.02771(16) Uani 1 1 d D . . . .
Cl1 Cl 0.08662(19) 0.76468(15) 0.66460(15) 0.0677(7) Uani 1 1 d . . . . .
O1 O 0.221(2) 0.4956(17) 0.4700(15) 0.034(7) Uani 0.55 1 d DG U P A 1
H1A H 0.232018 0.498449 0.430052 0.051 Uiso 0.55 1 d DG U P A 1
H1B H 0.189405 0.462564 0.472801 0.051 Uiso 0.55 1 d DG U P A 1
O4 O 0.273(2) 0.6847(10) 0.5688(17) 0.072(11) Uani 0.55 1 d D . P A 1
H4A H 0.323646 0.694023 0.556826 0.109 Uiso 0.55 1 d R U P A 1
H4B H 0.245699 0.715968 0.546055 0.109 Uiso 0.55 1 d R U P A 1
O6 O 0.2035(15) 0.6003(14) 0.6488(7) 0.025(4) Uani 0.55 1 d DG U P A 1
H6A H 0.233667 0.592011 0.680733 0.038 Uiso 0.55 1 d DG U P A 1
H6B H 0.179778 0.636600 0.659054 0.038 Uiso 0.55 1 d DG U P A 1
C1 C 0.0455(7) 0.6059(7) 0.5332(7) 0.037(2) Uani 0.55 1 d D U P A 1
H1 H -0.000213 0.630039 0.523618 0.044 Uiso 0.55 1 calc R U P A 1
N1 N 0.2468(5) 0.4667(4) 0.6121(5) 0.026(2) Uani 0.55 1 d D . P A 1
C4 C 0.3098(5) 0.4466(6) 0.6353(7) 0.0313(19) Uani 0.55 1 d D U P A 1
H4 H 0.312640 0.404468 0.654783 0.038 Uiso 0.55 1 calc R U P A 1
C6 C 0.5166(4) 0.5063(4) 0.6395(3) 0.038(2) Uani 0.55 1 d DG U P A 1
H6 H 0.564538 0.498513 0.660272 0.046 Uiso 0.55 1 calc R U P A 1
C8 C 0.4489(4) 0.4779(4) 0.6624(3) 0.032(2) Uani 0.55 1 d DG U P A 1
H8 H 0.450567 0.450712 0.698883 0.038 Uiso 0.55 1 calc R U P A 1
C10 C 0.3788(4) 0.4892(4) 0.6320(3) 0.035(2) Uani 0.55 1 d DG U P A 1
N4 N 0.3764(3) 0.5289(4) 0.5787(3) 0.025(2) Uani 0.55 1 d DG . P A 1
C12 C 0.4441(3) 0.5573(3) 0.5558(2) 0.0336(19) Uani 0.55 1 d DG U P A 1
C14 C 0.5142(3) 0.5460(3) 0.5862(3) 0.035(2) Uani 0.55 1 d DG U P A 1
C16 C 0.5819(3) 0.5744(4) 0.5632(4) 0.038(2) Uani 0.55 1 d DG U P A 1
H16 H 0.629820 0.566634 0.584008 0.046 Uiso 0.55 1 calc R U P A 1
C18 C 0.5795(3) 0.6141(4) 0.5099(4) 0.038(2) Uani 0.55 1 d DG U P A 1
H18 H 0.625750 0.633513 0.494228 0.046 Uiso 0.55 1 calc R U P A 1
C20 C 0.5094(4) 0.6254(4) 0.4795(3) 0.0250(18) Uani 0.55 1 d DG U P A 1
H20 H 0.507709 0.652593 0.443059 0.030 Uiso 0.55 1 calc R U P A 1
C22 C 0.4417(3) 0.5970(4) 0.5024(3) 0.0339(19) Uani 0.55 1 d DG U P A 1
C24 C 0.1814(3) 0.4276(3) 0.6278(4) 0.035(2) Uani 0.55 1 d DG U P A 1
C26 C 0.1842(3) 0.3690(3) 0.6617(4) 0.0236(18) Uani 0.55 1 d DG U P A 1
H26 H 0.232544 0.347988 0.669239 0.028 Uiso 0.55 1 calc R U P A 1
C28 C 0.1162(4) 0.3411(3) 0.6847(4) 0.038(2) Uani 0.55 1 d DG U P A 1
H28 H 0.118118 0.301071 0.707949 0.046 Uiso 0.55 1 calc R U P A 1
C30 C 0.0454(3) 0.3718(3) 0.6738(4) 0.040(2) Uani 0.55 1 d DG U P A 1
H30 H -0.001027 0.352775 0.689497 0.048 Uiso 0.55 1 calc R U P A 1
C32 C 0.0426(3) 0.4304(3) 0.6398(3) 0.036(2) Uani 0.55 1 d DG U P A 1
C34 C 0.1106(3) 0.4583(2) 0.6168(2) 0.036(2) Uani 0.55 1 d DG U P A 1
N6 N 0.1078(4) 0.5169(3) 0.5829(3) 0.029(2) Uani 0.55 1 d DG . P A 1
C36 C 0.0370(4) 0.5476(3) 0.5719(4) 0.039(2) Uani 0.55 1 d DG U P A 1
C38 C -0.0309(3) 0.5197(4) 0.5949(4) 0.036(2) Uani 0.55 1 d DG U P A 1
H38 H -0.079320 0.540697 0.587416 0.044 Uiso 0.55 1 calc R U P A 1
C40 C -0.0281(3) 0.4611(4) 0.6289(4) 0.040(2) Uani 0.55 1 d DG U P A 1
H40 H -0.074605 0.442076 0.644579 0.048 Uiso 0.55 1 calc R U P A 1
N8 N 0.2295(3) 0.6467(3) 0.4363(3) 0.031(3) Uani 0.55 1 d DG . P A 1
C42 C 0.2903(3) 0.6496(4) 0.3934(3) 0.036(2) Uani 0.55 1 d DG U P A 1
C44 C 0.2845(4) 0.6896(4) 0.3404(3) 0.038(2) Uani 0.55 1 d DG U P A 1
H44 H 0.325999 0.691582 0.311084 0.046 Uiso 0.55 1 calc R U P A 1
C46 C 0.2178(4) 0.7266(4) 0.3303(3) 0.042(2) Uani 0.55 1 d DG U P A 1
H46 H 0.213789 0.753971 0.294104 0.051 Uiso 0.55 1 calc R U P A 1
C48 C 0.1570(3) 0.7237(3) 0.3732(2) 0.039(2) Uani 0.55 1 d DG U P A 1
C50 C 0.1629(3) 0.6837(2) 0.4262(2) 0.0360(19) Uani 0.55 1 d DG U P A 1
C52 C 0.1021(3) 0.6808(4) 0.4691(3) 0.039(2) Uani 0.55 1 d DG U P A 1
C54 C 0.0354(3) 0.7179(4) 0.4590(4) 0.032(2) Uani 0.55 1 d DG U P A 1
H54 H -0.006109 0.715866 0.488299 0.038 Uiso 0.55 1 calc R U P A 1
C56 C 0.0296(3) 0.7579(4) 0.4060(4) 0.042(2) Uani 0.55 1 d DG U P A 1
H56 H -0.015990 0.783180 0.399116 0.050 Uiso 0.55 1 calc R U P A 1
C58 C 0.0904(4) 0.7608(4) 0.3631(3) 0.042(2) Uani 0.55 1 d DG U P A 1
H58 H 0.086341 0.788107 0.326911 0.051 Uiso 0.55 1 calc R U P A 1
O8 O 0.1180(8) 0.7082(5) 0.6906(5) 0.104(4) Uani 1 1 d . . . . .
N10 N 0.1077(6) 0.6271(5) 0.5114(5) 0.031(3) Uani 0.55 1 d D . P A 1
C60 C 0.3646(3) 0.6363(7) 0.4259(5) 0.034(2) Uani 0.55 1 d D U P A 1
H60 H 0.411656 0.651500 0.407851 0.041 Uiso 0.55 1 calc R U P A 1
N12 N 0.3663(5) 0.6052(6) 0.4771(5) 0.031(2) Uani 0.55 1 d D . P A 1
N13 N 0.3723(10) 0.6793(8) 0.6810(7) 0.123(6) Uani 1 1 d . . . . .
O10 O 0.1341(10) 0.7929(11) 0.6139(10) 0.186(7) Uani 1 1 d . U . . .
C62 C 0.4013(10) 0.6591(8) 0.7239(7) 0.092(5) Uani 1 1 d . U . . .
C31 C 0.4375(12) 0.6312(9) 0.7799(7) 0.113(6) Uani 1 1 d . U . . .
H31A H 0.478959 0.600871 0.767288 0.169 Uiso 1 1 calc R U . . .
H31B H 0.398604 0.607180 0.804481 0.169 Uiso 1 1 calc R U . . .
H31C H 0.459415 0.666794 0.805608 0.169 Uiso 1 1 calc R U . . .
O12 O 0.0284(11) 0.7460(10) 0.6232(10) 0.193(8) Uani 1 1 d . U . . .
O14 O 0.0675(17) 0.8053(11) 0.7072(11) 0.249(10) Uani 1 1 d . U . . .
Cl3 Cl 0.17939(17) 0.32664(11) 0.46538(13) 0.0535(6) Uani 1 1 d D U . . .
O16 O 0.1488(4) 0.3856(3) 0.4928(4) 0.0546(17) Uani 1 1 d D U . . .
O18 O 0.1481(10) 0.2742(8) 0.5038(11) 0.092(8) Uani 0.50(3) 1 d D U P B 1
O20 O 0.1413(13) 0.3205(11) 0.4044(7) 0.096(8) Uani 0.50(3) 1 d D U P B 1
O21 O 0.2608(6) 0.3255(11) 0.4607(12) 0.083(7) Uani 0.50(3) 1 d D U P B 1
Cl2 Cl 0.2504(6) 0.4810(5) 0.2948(5) 0.139(3) Uani 0.271(18) 1 d D U P C 1
O11 O 0.178240 0.453750 0.276900 0.157 Uani 0.2707 1 d D U P C 1
O3 O 0.298300 0.423930 0.302450 0.159 Uani 0.2707 1 d D U P C 1
O13 O 0.257260 0.512590 0.354240 0.127 Uani 0.2707 1 d D U P C 1
O7 O 0.283580 0.520250 0.246430 0.113 Uani 0.2707 1 d D U P C 1
O15 O 0.237(3) 0.498(2) 0.466(2) 0.031(8) Uani 0.45 1 d DG U P A 2
H15A H 0.212311 0.501190 0.430350 0.046 Uiso 0.45 1 d DG U P A 2
H15B H 0.271774 0.467639 0.459324 0.046 Uiso 0.45 1 d DG U P A 2
O2 O 0.2857(16) 0.6805(7) 0.5717(16) 0.026(6) Uani 0.45 1 d D . P A 2
H2A H 0.283213 0.706999 0.538996 0.039 Uiso 0.45 1 d R U P A 2
H2B H 0.335397 0.678752 0.580736 0.039 Uiso 0.45 1 d R U P A 2
O17 O 0.221(2) 0.6085(19) 0.6499(8) 0.039(8) Uani 0.45 1 d D U P A 2
H17A H 0.182429 0.636137 0.649721 0.058 Uiso 0.45 1 d R U P A 2
H17B H 0.204885 0.575403 0.672550 0.058 Uiso 0.45 1 d R U P A 2
N7 N 0.1782(7) 0.4727(6) 0.6036(6) 0.031(3) Uani 0.45 1 d D . P A 2
N2 N 0.1539(9) 0.6518(8) 0.4764(7) 0.052(5) Uani 0.45 1 d D . P A 2
N9 N 0.3939(7) 0.5731(7) 0.5251(7) 0.038(4) Uani 0.45 1 d D . P A 2
N5 N 0.3010(7) 0.6311(6) 0.4409(4) 0.054(5) Uani 0.45 1 d DG . P A 2
C2 C 0.3758(7) 0.6157(7) 0.4216(6) 0.089(6) Uani 0.45 1 d DG U P A 2
C33 C 0.4031(7) 0.6385(9) 0.3639(7) 0.103(6) Uani 0.45 1 d DG U P A 2
H33 H 0.454279 0.627949 0.350700 0.123 Uiso 0.45 1 calc R U P A 2
C17 C 0.3556(8) 0.6767(9) 0.3257(6) 0.101(5) Uani 0.45 1 d DG U P A 2
H17 H 0.374311 0.692302 0.286266 0.122 Uiso 0.45 1 calc R U P A 2
C35 C 0.2808(7) 0.6922(6) 0.3450(4) 0.083(5) Uani 0.45 1 d DG U P A 2
C9 C 0.2535(6) 0.6694(4) 0.4026(4) 0.041(4) Uani 0.45 1 d DG U P A 2
C37 C 0.1787(6) 0.6848(7) 0.4220(5) 0.072(5) Uani 0.45 1 d DG U P A 2
C19 C 0.1312(7) 0.7230(8) 0.3837(7) 0.075(5) Uani 0.45 1 d DG U P A 2
H19 H 0.080063 0.733579 0.396932 0.090 Uiso 0.45 1 calc R U P A 2
C39 C 0.1585(9) 0.7458(8) 0.3261(6) 0.079(5) Uani 0.45 1 d DG U P A 2
H39 H 0.126040 0.771950 0.299922 0.095 Uiso 0.45 1 calc R U P A 2
C5 C 0.2333(9) 0.7304(8) 0.3067(5) 0.081(5) Uani 0.45 1 d DG U P A 2
H5 H 0.251987 0.745968 0.267343 0.098 Uiso 0.45 1 calc R U P A 2
C41 C 0.2202(9) 0.4266(8) 0.6278(9) 0.040(5) Uani 0.45 1 d D . P A 2
H41 H 0.205453 0.381407 0.628962 0.047 Uiso 0.45 1 calc R U P A 2
C21 C 0.0990(4) 0.4643(5) 0.6143(5) 0.025(4) Uani 0.45 1 d DG . P A 2
C43 C 0.0651(6) 0.4124(5) 0.6471(5) 0.042(5) Uani 0.45 1 d DG . P A 2
H43 H 0.096433 0.377720 0.663044 0.051 Uiso 0.45 1 calc R U P A 2
C11 C -0.0146(6) 0.4113(5) 0.6564(6) 0.052(5) Uani 0.45 1 d DG . P A 2
H11 H -0.037815 0.375856 0.678786 0.063 Uiso 0.45 1 calc R U P A 2
C45 C -0.0605(5) 0.4621(6) 0.6330(7) 0.049(5) Uani 0.45 1 d DG . P A 2
H45 H -0.114991 0.461370 0.639410 0.059 Uiso 0.45 1 calc R U P A 2
C23 C -0.0266(4) 0.5140(5) 0.6003(6) 0.094(7) Uani 0.45 1 d DG U P A 2
C47 C 0.0532(4) 0.5151(4) 0.5909(4) 0.073(6) Uani 0.45 1 d DG U P A 2
N11 N 0.0871(5) 0.5670(5) 0.5582(6) 0.045(4) Uani 0.45 1 d DG . P A 2
C3 C 0.0412(7) 0.6178(5) 0.5348(7) 0.098(7) Uani 0.45 1 d DG U P A 2
C49 C -0.0385(7) 0.6167(6) 0.5441(9) 0.119(7) Uani 0.45 1 d DG U P A 2
H49 H -0.069853 0.651453 0.528156 0.142 Uiso 0.45 1 calc R U P A 2
C25 C -0.0724(5) 0.5648(7) 0.5769(8) 0.114(7) Uani 0.45 1 d DG U P A 2
H25 H -0.126930 0.564077 0.583276 0.137 Uiso 0.45 1 calc R U P A 2
C51 C 0.0842(10) 0.6611(10) 0.4923(12) 0.074(10) Uani 0.45 1 d D . P A 2
H51 H 0.058183 0.698503 0.475531 0.089 Uiso 0.45 1 calc R U P A 2
C13 C 0.4236(12) 0.6068(12) 0.4808(8) 0.067(6) Uani 0.45 1 d D U P A 2
H13 H 0.473804 0.625631 0.484620 0.081 Uiso 0.45 1 calc R U P A 2
C53 C 0.4165(8) 0.4370(9) 0.7063(7) 0.135(8) Uani 0.45 1 d DG U P A 2
H53 H 0.446116 0.417717 0.739217 0.162 Uiso 0.45 1 calc R U P A 2
C27 C 0.3375(8) 0.4241(9) 0.7018(7) 0.136(8) Uani 0.45 1 d DG U P A 2
H27 H 0.323308 0.377314 0.711226 0.163 Uiso 0.45 1 calc R U P A 2
C55 C 0.2942(6) 0.4523(7) 0.6536(6) 0.126(9) Uani 0.45 1 d DG U P A 2
N3 N 0.3298(5) 0.4933(5) 0.6099(5) 0.038(3) Uani 0.45 1 d DG . P A 2
C7 C 0.4088(5) 0.5062(4) 0.6143(4) 0.037(4) Uani 0.45 1 d DG . P A 2
C57 C 0.4521(6) 0.4780(7) 0.6625(6) 0.114(8) Uani 0.45 1 d DG U P A 2
C29 C 0.5311(6) 0.4908(9) 0.6670(8) 0.104(7) Uani 0.45 1 d DG U P A 2
H29 H 0.560706 0.471593 0.699905 0.125 Uiso 0.45 1 calc R U P A 2
C59 C 0.5667(5) 0.5319(8) 0.6232(8) 0.077(6) Uani 0.45 1 d DG U P A 2
H59 H 0.620683 0.540656 0.626243 0.092 Uiso 0.45 1 calc R U P A 2
C15 C 0.5234(6) 0.5600(7) 0.5750(7) 0.059(5) Uani 0.45 1 d DG U P A 2
H15 H 0.547724 0.588082 0.545099 0.070 Uiso 0.45 1 calc R U P A 2
C61 C 0.4444(6) 0.5472(6) 0.5706(5) 0.040(4) Uani 0.45 1 d DG U P A 2
O9 O 0.2328(18) 0.3448(11) 0.4158(13) 0.113(12) Uani 0.50(3) 1 d D . P B 2
O19 O 0.2410(12) 0.3019(11) 0.5045(15) 0.110(11) Uani 0.50(3) 1 d D . P B 2
O5 O 0.1257(11) 0.2803(11) 0.4467(19) 0.128(17) Uani 0.50(3) 1 d D . P B 2
Cl2A Cl 0.2531(3) 0.4868(4) 0.29309(18) 0.110(3) Uani 0.729(18) 1 d D . P C 2
O7A O 0.3156(6) 0.4815(6) 0.2493(4) 0.066(4) Uani 0.729(18) 1 d D . P C 2
O11A O 0.1887(10) 0.5160(16) 0.2668(7) 0.26(2) Uani 0.729(18) 1 d D . P C 2
O3A O 0.2361(15) 0.4197(9) 0.3130(15) 0.28(2) Uani 0.729(18) 1 d D . P C 2
O13A O 0.2786(9) 0.5175(8) 0.3478(5) 0.111(7) Uani 0.729(18) 1 d D . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.290(13) . ?
Dy1 O4 2.333(14) . ?
Dy1 O6 2.363(11) . ?
Dy1 N1 2.650(7) . ?
Dy1 N4 2.640(6) . ?
Dy1 N10 2.603(10) . ?
Dy1 N12 2.664(9) . ?
Dy1 O15 2.291(13) . ?
Dy1 O2 2.330(13) . ?
Dy1 O17 2.364(14) . ?
Dy1 N2 2.576(13) . ?
Dy1 N11 2.666(9) . ?
Cl1 O8 1.382(9) . ?
Cl1 O10 1.469(18) . ?
Cl1 O12 1.388(16) . ?
Cl1 O14 1.27(2) . ?
O1 H1A 0.8701 . ?
O1 H1B 0.8697 . ?
O4 H4A 0.9219 . ?
O4 H4B 0.9297 . ?
O6 H6A 0.8709 . ?
O6 H6B 0.8700 . ?
C1 H1 0.9500 . ?
C1 C36 1.448(9) . ?
C1 N10 1.245(9) . ?
N1 C4 1.260(9) . ?
N1 C24 1.420(5) . ?
C4 H4 0.9500 . ?
C4 C10 1.472(8) . ?
C6 H6 0.9500 . ?
C6 C8 1.3900 . ?
C6 C14 1.3900 . ?
C8 H8 0.9500 . ?
C8 C10 1.3900 . ?
C10 N4 1.3900 . ?
N4 C12 1.3900 . ?
C12 C14 1.3900 . ?
C12 C22 1.3900 . ?
C14 C16 1.3900 . ?
C16 H16 0.9500 . ?
C16 C18 1.3900 . ?
C18 H18 0.9500 . ?
C18 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C22 1.3900 . ?
C22 N12 1.415(8) . ?
C24 C26 1.3900 . ?
C24 C34 1.3900 . ?
C26 H26 0.9500 . ?
C26 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C30 1.3900 . ?
C30 H30 0.9500 . ?
C30 C32 1.3900 . ?
C32 C34 1.3900 . ?
C32 C40 1.3900 . ?
C34 N6 1.3900 . ?
N6 C36 1.3900 . ?
C36 C38 1.3900 . ?
C38 H38 0.9500 . ?
C38 C40 1.3900 . ?
C40 H40 0.9500 . ?
N8 C42 1.3900 . ?
N8 C50 1.3900 . ?
C42 C44 1.3900 . ?
C42 C60 1.480(7) . ?
C44 H44 0.9500 . ?
C44 C46 1.3900 . ?
C46 H46 0.9500 . ?
C46 C48 1.3900 . ?
C48 C50 1.3900 . ?
C48 C58 1.3900 . ?
C50 C52 1.3900 . ?
C52 C54 1.3900 . ?
C52 N10 1.414(8) . ?
C54 H54 0.9500 . ?
C54 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C58 1.3900 . ?
C58 H58 0.9500 . ?
C60 H60 0.9500 . ?
C60 N12 1.257(9) . ?
N13 C62 1.117(18) . ?
C62 C31 1.46(2) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
Cl3 O16 1.431(6) . ?
Cl3 O18 1.445(10) . ?
Cl3 O20 1.458(11) . ?
Cl3 O21 1.407(11) . ?
Cl3 O9 1.446(13) . ?
Cl3 O19 1.440(14) . ?
Cl3 O5 1.376(13) . ?
Cl2 O11 1.414(10) . ?
Cl2 O3 1.430(11) . ?
Cl2 O13 1.420(10) . ?
Cl2 O7 1.419(10) . ?
O15 H15A 0.8706 . ?
O15 H15B 0.8702 . ?
O2 H2A 0.8790 . ?
O2 H2B 0.8786 . ?
O17 H17A 0.8711 . ?
O17 H17B 0.8719 . ?
N7 C41 1.289(16) . ?
N7 C21 1.396(12) . ?
N2 C37 1.402(14) . ?
N2 C51 1.262(17) . ?
N9 C13 1.270(17) . ?
N9 C61 1.402(14) . ?
N5 C2 1.3900 . ?
N5 C9 1.3900 . ?
C2 C33 1.3900 . ?
C2 C13 1.514(16) . ?
C33 H33 0.9500 . ?
C33 C17 1.3900 . ?
C17 H17 0.9500 . ?
C17 C35 1.3900 . ?
C35 C9 1.3900 . ?
C35 C5 1.3900 . ?
C9 C37 1.3900 . ?
C37 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C39 1.3900 . ?
C39 H39 0.9500 . ?
C39 C5 1.3900 . ?
C5 H5 0.9500 . ?
C41 H41 0.9500 . ?
C41 C55 1.484(15) . ?
C21 C43 1.3900 . ?
C21 C47 1.3900 . ?
C43 H43 0.9500 . ?
C43 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C45 1.3900 . ?
C45 H45 0.9500 . ?
C45 C23 1.3900 . ?
C23 C47 1.3900 . ?
C23 C25 1.3900 . ?
C47 N11 1.3900 . ?
N11 C3 1.3900 . ?
C3 C49 1.3900 . ?
C3 C51 1.461(17) . ?
C49 H49 0.9500 . ?
C49 C25 1.3900 . ?
C25 H25 0.9500 . ?
C51 H51 0.9500 . ?
C13 H13 0.9500 . ?
C53 H53 0.9500 . ?
C53 C27 1.3900 . ?
C53 C57 1.3900 . ?
C27 H27 1.0000 . ?
C27 C55 1.3900 . ?
C27 O11A 1.89(3) 2_565 ?
C55 N3 1.3900 . ?
N3 C7 1.3900 . ?
C7 C57 1.3900 . ?
C7 C61 1.3900 . ?
C57 C29 1.3900 . ?
C29 H29 0.9500 . ?
C29 C59 1.3900 . ?
C59 H59 0.9500 . ?
C59 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C61 1.3900 . ?
Cl2A O7A 1.428(9) . ?
Cl2A O11A 1.375(12) . ?
Cl2A O3A 1.453(12) . ?
Cl2A O13A 1.390(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O4 149.5(15) . . ?
O1 Dy1 O6 139.1(13) . . ?
O1 Dy1 N1 77.4(12) . . ?
O1 Dy1 N4 93.4(10) . . ?
O1 Dy1 N10 88.6(10) . . ?
O1 Dy1 N12 84.7(11) . . ?
O4 Dy1 O6 70.1(11) . . ?
O4 Dy1 N1 131.0(10) . . ?
O4 Dy1 N4 93.5(10) . . ?
O4 Dy1 N10 84.3(11) . . ?
O4 Dy1 N12 73.2(10) . . ?
O6 Dy1 N1 70.9(8) . . ?
O6 Dy1 N4 93.0(7) . . ?
O6 Dy1 N10 86.2(7) . . ?
O6 Dy1 N12 132.5(7) . . ?
N1 Dy1 N12 116.1(3) . . ?
N4 Dy1 N1 60.4(2) . . ?
N4 Dy1 N12 60.2(2) . . ?
N10 Dy1 N1 121.0(3) . . ?
N10 Dy1 N4 177.8(3) . . ?
N10 Dy1 N12 119.2(3) . . ?
O15 Dy1 O2 144.5(16) . . ?
O15 Dy1 O17 151.3(17) . . ?
O15 Dy1 N2 89.6(14) . . ?
O15 Dy1 N11 90.7(12) . . ?
O2 Dy1 O17 63.6(12) . . ?
O2 Dy1 N2 78.1(8) . . ?
O2 Dy1 N11 111.6(8) . . ?
O17 Dy1 N2 106.5(11) . . ?
O17 Dy1 N11 76.9(9) . . ?
N2 Dy1 N11 62.0(4) . . ?
O8 Cl1 O10 113.4(10) . . ?
O8 Cl1 O12 108.2(10) . . ?
O12 Cl1 O10 92.6(12) . . ?
O14 Cl1 O8 110.7(11) . . ?
O14 Cl1 O10 114.6(16) . . ?
O14 Cl1 O12 116.2(16) . . ?
Dy1 O1 H1A 126.3 . . ?
Dy1 O1 H1B 126.3 . . ?
H1A O1 H1B 104.5 . . ?
Dy1 O4 H4A 111.2 . . ?
Dy1 O4 H4B 113.5 . . ?
H4A O4 H4B 101.6 . . ?
Dy1 O6 H6A 122.1 . . ?
Dy1 O6 H6B 122.4 . . ?
H6A O6 H6B 104.4 . . ?
C36 C1 H1 117.3 . . ?
N10 C1 H1 117.3 . . ?
N10 C1 C36 125.5(11) . . ?
C4 N1 Dy1 121.4(6) . . ?
C4 N1 C24 114.4(6) . . ?
C24 N1 Dy1 124.2(5) . . ?
N1 C4 H4 120.4 . . ?
C10 C4 H4 120.4 . . ?
C8 C6 H6 120.0 . . ?
C8 C6 C14 120.0 . . ?
C14 C6 H6 120.0 . . ?
C6 C8 H8 120.0 . . ?
C10 C8 C6 120.0 . . ?
C10 C8 H8 120.0 . . ?
C8 C10 C4 125.8(6) . . ?
C8 C10 N4 120.0 . . ?
N4 C10 C4 110.7(6) . . ?
C10 N4 Dy1 117.6(2) . . ?
C10 N4 C12 120.0 . . ?
C12 N4 Dy1 120.0(2) . . ?
N4 C12 C22 120.0 . . ?
C14 C12 N4 120.0 . . ?
C14 C12 C22 120.0 . . ?
C12 C14 C6 120.0 . . ?
C16 C14 C6 120.0 . . ?
C16 C14 C12 120.0 . . ?
C14 C16 H16 120.0 . . ?
C18 C16 C14 120.0 . . ?
C18 C16 H16 120.0 . . ?
C16 C18 H18 120.0 . . ?
C16 C18 C20 120.0 . . ?
C20 C18 H18 120.0 . . ?
C18 C20 H20 120.0 . . ?
C22 C20 C18 120.0 . . ?
C22 C20 H20 120.0 . . ?
C12 C22 N12 113.8(5) . . ?
C20 C22 C12 120.0 . . ?
C20 C22 N12 126.2(5) . . ?
C26 C24 N1 124.9(4) . . ?
C26 C24 C34 120.0 . . ?
C34 C24 N1 114.1(4) . . ?
C24 C26 H26 120.0 . . ?
C28 C26 C24 120.0 . . ?
C28 C26 H26 120.0 . . ?
C26 C28 H28 120.0 . . ?
C26 C28 C30 120.0 . . ?
C30 C28 H28 120.0 . . ?
C28 C30 H30 120.0 . . ?
C32 C30 C28 120.0 . . ?
C32 C30 H30 120.0 . . ?
C30 C32 C34 120.0 . . ?
C32 C34 C24 120.0 . . ?
N6 C34 C24 120.0 . . ?
N6 C34 C32 120.0 . . ?
C34 N6 Dy1 120.48(19) . . ?
C34 N6 C36 120.0 . . ?
C36 N6 Dy1 119.4(2) . . ?
N6 C36 C1 111.8(6) . . ?
C38 C36 C1 128.1(6) . . ?
C38 C36 N6 120.0 . . ?
C36 C38 H38 120.0 . . ?
C36 C38 C40 120.0 . . ?
C40 C38 H38 120.0 . . ?
C32 C40 H40 120.0 . . ?
C38 C40 C32 120.0 . . ?
C38 C40 H40 120.0 . . ?
C42 N8 Dy1 121.7(2) . . ?
C42 N8 C50 120.0 . . ?
C50 N8 Dy1 118.2(2) . . ?
N8 C42 C44 120.0 . . ?
N8 C42 C60 109.8(4) . . ?
C44 C42 C60 123.2(5) . . ?
C42 C44 H44 120.0 . . ?
C46 C44 C42 120.0 . . ?
C46 C44 H44 120.0 . . ?
C44 C46 H46 120.0 . . ?
C44 C46 C48 120.0 . . ?
C48 C46 H46 120.0 . . ?
C46 C48 C58 120.0 . . ?
C50 C48 C46 120.0 . . ?
C50 C48 C58 120.0 . . ?
C48 C50 N8 120.0 . . ?
C52 C50 N8 120.0 . . ?
C52 C50 C48 120.0 . . ?
C50 C52 C54 120.0 . . ?
C50 C52 N10 113.4(5) . . ?
C54 C52 N10 124.8(5) . . ?
C52 C54 H54 120.0 . . ?
C56 C54 C52 120.0 . . ?
C56 C54 H54 120.0 . . ?
C54 C56 H56 120.0 . . ?
C54 C56 C58 120.0 . . ?
C58 C56 H56 120.0 . . ?
C48 C58 H58 120.0 . . ?
C56 C58 C48 120.0 . . ?
C56 C58 H58 120.0 . . ?
C1 N10 Dy1 121.4(7) . . ?
C1 N10 C52 116.3(9) . . ?
C52 N10 Dy1 122.4(6) . . ?
C42 C60 H60 119.4 . . ?
N12 C60 C42 121.1(6) . . ?
N12 C60 H60 119.4 . . ?
C22 N12 Dy1 121.4(5) . . ?
C60 N12 Dy1 123.5(6) . . ?
C60 N12 C22 114.1(7) . . ?
N13 C62 C31 178.3(15) . . ?
C62 C31 H31A 109.5 . . ?
C62 C31 H31B 109.5 . . ?
C62 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O16 Cl3 O18 104.2(9) . . ?
O16 Cl3 O20 105.5(9) . . ?
O16 Cl3 O9 108.6(10) . . ?
O16 Cl3 O19 109.2(12) . . ?
O18 Cl3 O20 105.7(13) . . ?
O21 Cl3 O16 114.3(9) . . ?
O21 Cl3 O18 113.6(11) . . ?
O21 Cl3 O20 112.7(12) . . ?
O19 Cl3 O9 92(2) . . ?
O5 Cl3 O16 116.0(10) . . ?
O5 Cl3 O9 113.1(19) . . ?
O5 Cl3 O19 115.1(18) . . ?
O11 Cl2 O3 102.9(6) . . ?
O11 Cl2 O13 119.2(7) . . ?
O11 Cl2 O7 112.3(7) . . ?
O13 Cl2 O3 102.5(6) . . ?
O7 Cl2 O3 107.7(7) . . ?
O7 Cl2 O13 110.9(7) . . ?
Dy1 O15 H15A 126.3 . . ?
Dy1 O15 H15B 126.3 . . ?
H15A O15 H15B 104.4 . . ?
Dy1 O2 H2A 109.9 . . ?
Dy1 O2 H2B 110.3 . . ?
H2A O2 H2B 104.2 . . ?
Dy1 O17 H17A 106.3 . . ?
Dy1 O17 H17B 110.8 . . ?
H17A O17 H17B 104.5 . . ?
C41 N7 Dy1 122.2(10) . . ?
C41 N7 C21 113.4(12) . . ?
C21 N7 Dy1 124.4(7) . . ?
C37 N2 Dy1 124.5(10) . . ?
C51 N2 Dy1 119.4(13) . . ?
C51 N2 C37 116.1(14) . . ?
C13 N9 Dy1 119.8(12) . . ?
C13 N9 C61 117.5(13) . . ?
C61 N9 Dy1 121.3(8) . . ?
C2 N5 Dy1 120.8(4) . . ?
C2 N5 C9 120.0 . . ?
C9 N5 Dy1 118.7(4) . . ?
N5 C2 C13 106.7(10) . . ?
C33 C2 N5 120.0 . . ?
C33 C2 C13 125.9(10) . . ?
C2 C33 H33 120.0 . . ?
C2 C33 C17 120.0 . . ?
C17 C33 H33 120.0 . . ?
C33 C17 H17 120.0 . . ?
C33 C17 C35 120.0 . . ?
C35 C17 H17 120.0 . . ?
C17 C35 C5 120.0 . . ?
C9 C35 C17 120.0 . . ?
C9 C35 C5 120.0 . . ?
C35 C9 N5 120.0 . . ?
C35 C9 C37 120.0 . . ?
C37 C9 N5 120.0 . . ?
C9 C37 N2 114.8(8) . . ?
C19 C37 N2 124.6(8) . . ?
C19 C37 C9 120.0 . . ?
C37 C19 H19 120.0 . . ?
C37 C19 C39 120.0 . . ?
C39 C19 H19 120.0 . . ?
C19 C39 H39 120.0 . . ?
C5 C39 C19 120.0 . . ?
C5 C39 H39 120.0 . . ?
C35 C5 H5 120.0 . . ?
C39 C5 C35 120.0 . . ?
C39 C5 H5 120.0 . . ?
N7 C41 H41 124.0 . . ?
N7 C41 C55 112.0(13) . . ?
C55 C41 H41 124.0 . . ?
C43 C21 N7 125.8(7) . . ?
C43 C21 C47 120.0 . . ?
C47 C21 N7 114.1(7) . . ?
C21 C43 H43 120.0 . . ?
C11 C43 C21 120.0 . . ?
C11 C43 H43 120.0 . . ?
C43 C11 H11 120.0 . . ?
C43 C11 C45 120.0 . . ?
C45 C11 H11 120.0 . . ?
C11 C45 H45 120.0 . . ?
C23 C45 C11 120.0 . . ?
C23 C45 H45 120.0 . . ?
C45 C23 C47 120.0 . . ?
C23 C47 C21 120.0 . . ?
N11 C47 C21 120.0 . . ?
N11 C47 C23 120.0 . . ?
C47 N11 Dy1 121.7(3) . . ?
C47 N11 C3 120.0 . . ?
C3 N11 Dy1 118.2(3) . . ?
N11 C3 C51 112.1(10) . . ?
C49 C3 N11 120.0 . . ?
C49 C3 C51 126.9(10) . . ?
C3 C49 H49 120.0 . . ?
C3 C49 C25 120.0 . . ?
C25 C49 H49 120.0 . . ?
C23 C25 H25 120.0 . . ?
C49 C25 C23 120.0 . . ?
C49 C25 H25 120.0 . . ?
N2 C51 C3 124.0(18) . . ?
N2 C51 H51 118.0 . . ?
C3 C51 H51 118.0 . . ?
N9 C13 C2 117.4(16) . . ?
N9 C13 H13 121.3 . . ?
C2 C13 H13 121.3 . . ?
C27 C53 H53 120.0 . . ?
C27 C53 C57 120.0 . . ?
C57 C53 H53 120.0 . . ?
C53 C27 H27 113.9 . . ?
C53 C27 C55 120.0 . . ?
C53 C27 O11A 93.7(9) . 2_565 ?
C55 C27 H27 113.9 . . ?
C55 C27 O11A 98.3(9) . 2_565 ?
O11A C27 H27 113.9 2_565 . ?
C27 C55 C41 126.2(9) . . ?
C27 C55 N3 120.0 . . ?
N3 C55 C41 110.1(10) . . ?
C55 N3 Dy1 118.0(4) . . ?
C7 N3 Dy1 118.9(4) . . ?
C7 N3 C55 120.0 . . ?
N3 C7 C57 120.0 . . ?
N3 C7 C61 120.0 . . ?
C57 C7 C61 120.0 . . ?
C7 C57 C53 120.0 . . ?
C7 C57 C29 120.0 . . ?
C29 C57 C53 120.0 . . ?
C57 C29 H29 120.0 . . ?
C59 C29 C57 120.0 . . ?
C59 C29 H29 120.0 . . ?
C29 C59 H59 120.0 . . ?
C29 C59 C15 120.0 . . ?
C15 C59 H59 120.0 . . ?
C59 C15 H15 120.0 . . ?
C59 C15 C61 120.0 . . ?
C61 C15 H15 120.0 . . ?
C7 C61 N9 114.2(7) . . ?
C15 C61 N9 125.8(7) . . ?
C15 C61 C7 120.0 . . ?
O7A Cl2A O3A 105.7(13) . . ?
O11A Cl2A O7A 112.1(9) . . ?
O11A Cl2A O3A 111.0(14) . . ?
O11A Cl2A O13A 113.7(13) . . ?
O13A Cl2A O7A 109.8(8) . . ?
O13A Cl2A O3A 103.9(13) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C4 C10 8.4(18) . . . . ?
Dy1 N1 C24 C26 177.9(4) . . . . ?
Dy1 N1 C24 C34 -13.6(10) . . . . ?
Dy1 N4 C12 C14 162.0(5) . . . . ?
Dy1 N4 C12 C22 -18.0(5) . . . . ?
Dy1 N6 C36 C1 6.8(8) . . . . ?
Dy1 N6 C36 C38 -176.1(5) . . . . ?
Dy1 N8 C42 C44 -176.0(5) . . . . ?
Dy1 N8 C42 C60 -24.5(7) . . . . ?
Dy1 N8 C50 C48 176.2(4) . . . . ?
Dy1 N8 C50 C52 -3.8(4) . . . . ?
Dy1 N7 C41 C55 35(2) . . . . ?
Dy1 N7 C21 C43 -177.5(5) . . . . ?
Dy1 N7 C21 C47 0.2(13) . . . . ?
Dy1 N2 C37 C9 5.5(17) . . . . ?
Dy1 N2 C37 C19 176.7(6) . . . . ?
Dy1 N2 C51 C3 -19(3) . . . . ?
Dy1 N9 C13 C2 -33(3) . . . . ?
Dy1 N9 C61 C7 19.2(14) . . . . ?
Dy1 N9 C61 C15 -159.8(5) . . . . ?
Dy1 N5 C2 C33 172.3(8) . . . . ?
Dy1 N5 C2 C13 -36.2(12) . . . . ?
Dy1 N5 C9 C35 -172.4(8) . . . . ?
Dy1 N5 C9 C37 7.6(8) . . . . ?
Dy1 N11 C3 C49 -176.6(7) . . . . ?
Dy1 N11 C3 C51 14.0(13) . . . . ?
Dy1 N3 C7 C57 159.7(7) . . . . ?
Dy1 N3 C7 C61 -20.3(7) . . . . ?
C1 C36 C38 C40 176.6(11) . . . . ?
N1 C4 C10 C8 171.1(10) . . . . ?
N1 C4 C10 N4 -30.2(15) . . . . ?
N1 C24 C26 C28 167.9(9) . . . . ?
N1 C24 C34 C32 -169.1(8) . . . . ?
N1 C24 C34 N6 10.9(8) . . . . ?
C4 N1 C24 C26 -4.8(14) . . . . ?
C4 N1 C24 C34 163.8(10) . . . . ?
C4 C10 N4 Dy1 37.5(7) . . . . ?
C4 C10 N4 C12 -160.1(8) . . . . ?
C6 C8 C10 C4 156.9(9) . . . . ?
C6 C8 C10 N4 0.0 . . . . ?
C6 C14 C16 C18 180.0 . . . . ?
C8 C6 C14 C12 0.0 . . . . ?
C8 C6 C14 C16 180.0 . . . . ?
C8 C10 N4 Dy1 -162.4(4) . . . . ?
C8 C10 N4 C12 0.0 . . . . ?
C10 N4 C12 C14 0.0 . . . . ?
C10 N4 C12 C22 180.0 . . . . ?
N4 C12 C14 C6 0.0 . . . . ?
N4 C12 C14 C16 180.0 . . . . ?
N4 C12 C22 C20 180.0 . . . . ?
N4 C12 C22 N12 1.1(8) . . . . ?
C12 C14 C16 C18 0.0 . . . . ?
C12 C22 N12 Dy1 16.5(10) . . . . ?
C12 C22 N12 C60 -174.2(10) . . . . ?
C14 C6 C8 C10 0.0 . . . . ?
C14 C12 C22 C20 0.0 . . . . ?
C14 C12 C22 N12 -178.9(8) . . . . ?
C14 C16 C18 C20 0.0 . . . . ?
C16 C18 C20 C22 0.0 . . . . ?
C18 C20 C22 C12 0.0 . . . . ?
C18 C20 C22 N12 178.8(9) . . . . ?
C20 C22 N12 Dy1 -162.4(4) . . . . ?
C20 C22 N12 C60 7.0(15) . . . . ?
C22 C12 C14 C6 180.0 . . . . ?
C22 C12 C14 C16 0.0 . . . . ?
C24 N1 C4 C10 -169.0(10) . . . . ?
C24 C26 C28 C30 0.0 . . . . ?
C24 C34 N6 Dy1 -3.9(5) . . . . ?
C24 C34 N6 C36 180.0 . . . . ?
C26 C24 C34 C32 0.0 . . . . ?
C26 C24 C34 N6 180.0 . . . . ?
C26 C28 C30 C32 0.0 . . . . ?
C28 C30 C32 C34 0.0 . . . . ?
C28 C30 C32 C40 180.0 . . . . ?
C30 C32 C34 C24 0.0 . . . . ?
C30 C32 C34 N6 180.0 . . . . ?
C30 C32 C40 C38 180.0 . . . . ?
C32 C34 N6 Dy1 176.1(5) . . . . ?
C32 C34 N6 C36 0.0 . . . . ?
C34 C24 C26 C28 0.0 . . . . ?
C34 C32 C40 C38 0.0 . . . . ?
C34 N6 C36 C1 -177.1(9) . . . . ?
C34 N6 C36 C38 0.0 . . . . ?
N6 C36 C38 C40 0.0 . . . . ?
C36 C1 N10 Dy1 -8(2) . . . . ?
C36 C1 N10 C52 173.3(12) . . . . ?
C36 C38 C40 C32 0.0 . . . . ?
C40 C32 C34 C24 180.0 . . . . ?
C40 C32 C34 N6 0.0 . . . . ?
N8 C42 C44 C46 0.0 . . . . ?
N8 C42 C60 N12 22.5(16) . . . . ?
N8 C50 C52 C54 180.0 . . . . ?
N8 C50 C52 N10 -14.6(8) . . . . ?
C42 N8 C50 C48 0.0 . . . . ?
C42 N8 C50 C52 180.0 . . . . ?
C42 C44 C46 C48 0.0 . . . . ?
C42 C60 N12 Dy1 -10.4(19) . . . . ?
C42 C60 N12 C22 -179.5(10) . . . . ?
C44 C42 C60 N12 173.0(11) . . . . ?
C44 C46 C48 C50 0.0 . . . . ?
C44 C46 C48 C58 180.0 . . . . ?
C46 C48 C50 N8 0.0 . . . . ?
C46 C48 C50 C52 180.0 . . . . ?
C46 C48 C58 C56 180.0 . . . . ?
C48 C50 C52 C54 0.0 . . . . ?
C48 C50 C52 N10 165.4(8) . . . . ?
C50 N8 C42 C44 0.0 . . . . ?
C50 N8 C42 C60 151.6(8) . . . . ?
C50 C48 C58 C56 0.0 . . . . ?
C50 C52 C54 C56 0.0 . . . . ?
C50 C52 N10 Dy1 28.1(10) . . . . ?
C50 C52 N10 C1 -152.9(11) . . . . ?
C52 C54 C56 C58 0.0 . . . . ?
C54 C52 N10 Dy1 -167.3(4) . . . . ?
C54 C52 N10 C1 11.7(16) . . . . ?
C54 C56 C58 C48 0.0 . . . . ?
C58 C48 C50 N8 180.0 . . . . ?
C58 C48 C50 C52 0.0 . . . . ?
N10 C1 C36 N6 0(2) . . . . ?
N10 C1 C36 C38 -176.5(12) . . . . ?
N10 C52 C54 C56 -163.6(9) . . . . ?
C60 C42 C44 C46 -147.7(8) . . . . ?
N7 C41 C55 C27 153.9(12) . . . . ?
N7 C41 C55 N3 -48.1(18) . . . . ?
N7 C21 C43 C11 177.6(12) . . . . ?
N7 C21 C47 C23 -177.9(11) . . . . ?
N7 C21 C47 N11 2.1(11) . . . . ?
N2 C37 C19 C39 -170.7(15) . . . . ?
N5 C2 C33 C17 0.0 . . . . ?
N5 C2 C13 N9 45(2) . . . . ?
N5 C9 C37 N2 -8.4(14) . . . . ?
N5 C9 C37 C19 180.0 . . . . ?
C2 N5 C9 C35 0.0 . . . . ?
C2 N5 C9 C37 180.0 . . . . ?
C2 C33 C17 C35 0.0 . . . . ?
C33 C2 C13 N9 -165.9(15) . . . . ?
C33 C17 C35 C9 0.0 . . . . ?
C33 C17 C35 C5 180.0 . . . . ?
C17 C35 C9 N5 0.0 . . . . ?
C17 C35 C9 C37 180.0 . . . . ?
C17 C35 C5 C39 180.0 . . . . ?
C35 C9 C37 N2 171.6(14) . . . . ?
C35 C9 C37 C19 0.0 . . . . ?
C9 N5 C2 C33 0.0 . . . . ?
C9 N5 C2 C13 151.5(12) . . . . ?
C9 C35 C5 C39 0.0 . . . . ?
C9 C37 C19 C39 0.0 . . . . ?
C37 N2 C51 C3 161.1(19) . . . . ?
C37 C19 C39 C5 0.0 . . . . ?
C19 C39 C5 C35 0.0 . . . . ?
C5 C35 C9 N5 180.0 . . . . ?
C5 C35 C9 C37 0.0 . . . . ?
C41 N7 C21 C43 -0.4(18) . . . . ?
C41 N7 C21 C47 177.3(12) . . . . ?
C41 C55 N3 Dy1 40.5(11) . . . . ?
C41 C55 N3 C7 -159.6(12) . . . . ?
C21 N7 C41 C55 -142.5(14) . . . . ?
C21 C43 C11 C45 0.0 . . . . ?
C21 C47 N11 Dy1 -3.6(7) . . . . ?
C21 C47 N11 C3 180.0 . . . . ?
C43 C21 C47 C23 0.0 . . . . ?
C43 C21 C47 N11 180.0 . . . . ?
C43 C11 C45 C23 0.0 . . . . ?
C11 C45 C23 C47 0.0 . . . . ?
C11 C45 C23 C25 180.0 . . . . ?
C45 C23 C47 C21 0.0 . . . . ?
C45 C23 C47 N11 180.0 . . . . ?
C45 C23 C25 C49 180.0 . . . . ?
C23 C47 N11 Dy1 176.4(7) . . . . ?
C23 C47 N11 C3 0.0 . . . . ?
C47 C21 C43 C11 0.0 . . . . ?
C47 C23 C25 C49 0.0 . . . . ?
C47 N11 C3 C49 0.0 . . . . ?
C47 N11 C3 C51 -169.5(14) . . . . ?
N11 C3 C49 C25 0.0 . . . . ?
N11 C3 C51 N2 3(3) . . . . ?
C3 C49 C25 C23 0.0 . . . . ?
C49 C3 C51 N2 -165.7(17) . . . . ?
C25 C23 C47 C21 180.0 . . . . ?
C25 C23 C47 N11 0.0 . . . . ?
C51 N2 C37 C9 -174.8(15) . . . . ?
C51 N2 C37 C19 -4(2) . . . . ?
C51 C3 C49 C25 167.8(16) . . . . ?
C13 N9 C61 C7 -174.6(16) . . . . ?
C13 N9 C61 C15 6(2) . . . . ?
C13 C2 C33 C17 -145.7(15) . . . . ?
C53 C27 C55 C41 156.0(14) . . . . ?
C53 C27 C55 N3 0.0 . . . . ?
C53 C57 C29 C59 180.0 . . . . ?
C27 C53 C57 C7 0.0 . . . . ?
C27 C53 C57 C29 180.0 . . . . ?
C27 C55 N3 Dy1 -159.9(7) . . . . ?
C27 C55 N3 C7 0.0 . . . . ?
C55 N3 C7 C57 0.0 . . . . ?
C55 N3 C7 C61 180.0 . . . . ?
N3 C7 C57 C53 0.0 . . . . ?
N3 C7 C57 C29 180.0 . . . . ?
N3 C7 C61 N9 1.0(12) . . . . ?
N3 C7 C61 C15 180.0 . . . . ?
C7 C57 C29 C59 0.0 . . . . ?
C57 C53 C27 C55 0.0 . . . . ?
C57 C53 C27 O11A -101.8(11) . . . 2_565 ?
C57 C7 C61 N9 -179.0(12) . . . . ?
C57 C7 C61 C15 0.0 . . . . ?
C57 C29 C59 C15 0.0 . . . . ?
C29 C59 C15 C61 0.0 . . . . ?
C59 C15 C61 N9 178.9(14) . . . . ?
C59 C15 C61 C7 0.0 . . . . ?
C61 N9 C13 C2 160.4(16) . . . . ?
C61 C7 C57 C53 180.0 . . . . ?
C61 C7 C57 C29 0.0 . . . . ?
O7A Cl2A O11A C27 -27(4) . . . 2_564 ?
O11A C27 C55 C41 -104.8(15) 2_565 . . . ?
O11A C27 C55 N3 99.2(10) 2_565 . . . ?
O3A Cl2A O11A C27 -145(4) . . . 2_564 ?
O13A Cl2A O11A C27 99(4) . . . 2_564 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3S
_database_code_depnum_ccdc_archive 'CCDC 2178781'
loop_
_audit_author_name
_audit_author_address
'shuting Liu'
;Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_audit_creation_date             2022-04-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C62 H60 Dy N6 O2 Si2, C24 H19 B Br, 2(C H2 Cl2), H2 O'
_chemical_formula_sum            'C88 H85 B Br Cl4 Dy N6 O3 Si2'
_chemical_formula_weight         1725.82
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.0611(3)
_cell_length_b                   18.5926(5)
_cell_length_c                   28.7604(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8053.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9904
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      24.956
_cell_measurement_theta_min      2.518
_shelx_estimated_absorpt_T_max   0.853
_shelx_estimated_absorpt_T_min   0.735
_exptl_absorpt_coefficient_mu    1.640
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6824
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0765 before and 0.0707 after correction.
The Ratio of minimum to maximum transmission is 0.9157.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3524
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            56587
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.043
_diffrn_reflns_theta_max         25.043
_diffrn_reflns_theta_min         2.244
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.39
_diffrn_source_power             0.0695
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.826
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                12686
_reflns_number_total             14221
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.032
_refine_diff_density_min         -1.442
_refine_diff_density_rms         0.099
_refine_ls_abs_structure_details 
;
 Flack x determined using 5200 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.007(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     949
_refine_ls_number_reflns         14221
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0649P)²+7.6924P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1167
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H,H) groups
2. Restrained distances
 H3A-O3
 0.85 with sigma of 0.01
 H3B-O3
 0.85 with sigma of 0.01
 H3A-H3B
 1.34 with sigma of 0.01
3.a Ternary CH refined with riding coordinates:
 C1(H1), C10(H10), C14(H14), C15(H15)
3.b Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B), C52(H52A,H52B), C58(H58A,H58B), C60(H60A,H60B), C80(H80A,
 H80B), C47(H47A,H47B), C31(H31A,H31B), C69(H69A,H69B), C43(H43A,H43B),
 C87(H87A,H87B)
3.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C16(H16), C18(H18), C20(H20), C36(H36), C38(H38), C40(H40), C44(H44),
 C46(H46), C48(H48), C50(H50), C54(H54), C56(H56), C64(H64), C66(H66), C70(H70),
  C72(H72), C74(H74), C78(H78), C82(H82), C88(H88), C11(H11), C45(H45), C3(H3),
 C49(H49), C25(H25), C51(H51), C13(H13), C53(H53), C27(H27), C55(H55), C7(H7),
 C57(H57), C29(H29), C59(H59), C61(H61), C63(H63), C2(H2), C65(H65), C67(H67),
 C17(H17), C35(H35), C71(H71), C9(H9), C73(H73), C37(H37), C19(H19), C77(H77),
 C39(H39), C79(H79), C5(H5), C81(H81), C41(H41), C21(H21), C83(H83), C75(H75),
 C33(H33), C86(H86), C85(H85)
3.d Fitted hexagon refined as free rotating group:
 C21(C83,C75,C33,C86,C30)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.43176(2) 0.43557(2) 0.37505(2) 0.02169(10) Uani 1 1 d . . . . .
Br1 Br 0.95789(8) 0.48942(7) 0.27871(5) 0.0655(4) Uani 1 1 d . . . . .
Si1 Si 0.43975(15) 0.27749(12) 0.45464(7) 0.0245(4) Uani 1 1 d . . . . .
Si2 Si 0.42969(17) 0.59036(12) 0.29331(7) 0.0293(5) Uani 1 1 d . . . . .
Cl1 Cl 0.0172(4) 0.3032(3) 0.2567(2) 0.1258(18) Uani 1 1 d . . . . .
O1 O 0.4364(4) 0.3449(3) 0.42038(18) 0.0302(12) Uani 1 1 d . . . . .
N1 N 0.4905(5) 0.5277(4) 0.4365(2) 0.0265(15) Uani 1 1 d . . . . .
O2 O 0.4392(4) 0.5252(3) 0.32870(19) 0.0337(13) Uani 1 1 d . . . . .
N6 N 0.3200(4) 0.4880(4) 0.4378(2) 0.0261(15) Uani 1 1 d . . . . .
N5 N 0.2541(4) 0.4344(4) 0.3585(2) 0.0281(14) Uani 1 1 d . . . . .
N4 N 0.3701(4) 0.3791(4) 0.2978(2) 0.0270(15) Uani 1 1 d . . . . .
N2 N 0.6060(4) 0.4539(4) 0.3826(2) 0.0265(15) Uani 1 1 d . . . . .
N3 N 0.5366(4) 0.3549(4) 0.3259(2) 0.0256(15) Uani 1 1 d . . . . .
C1 C 0.6250(5) 0.3398(5) 0.3443(3) 0.0277(18) Uani 1 1 d . . . . .
H1 H 0.617416 0.315239 0.374938 0.033 Uiso 1 1 calc R U . . .
Cl4 Cl 0.1467(7) 0.2134(7) 0.29258(19) 0.258(6) Uani 1 1 d . . . . .
C4 C 0.9095(5) 0.5991(5) 0.3434(3) 0.0312(19) Uani 1 1 d . . . . .
H4 H 0.968406 0.592002 0.354289 0.037 Uiso 1 1 calc R U . . .
C6 C 0.5775(6) 0.5448(4) 0.4388(3) 0.0277(17) Uani 1 1 d . . . . .
C8 C 0.4463(5) 0.3096(5) 0.5163(3) 0.0302(18) Uani 1 1 d . . . . .
C10 C 0.1892(5) 0.4623(5) 0.3920(3) 0.0311(19) Uani 1 1 d . . . . .
H10 H 0.178586 0.514201 0.384918 0.037 Uiso 1 1 calc R U . . .
C12 C 0.5383(5) 0.2172(5) 0.4432(3) 0.0274(18) Uani 1 1 d . . . . .
C14 C 0.2305(5) 0.4570(5) 0.4408(3) 0.0281(19) Uani 1 1 d . . . . .
H14 H 0.237527 0.404688 0.448052 0.034 Uiso 1 1 calc R U . . .
C16 C 0.2428(6) 0.5993(5) 0.2933(3) 0.037(2) Uani 1 1 d . . . . .
H16 H 0.250633 0.604723 0.325858 0.044 Uiso 1 1 calc R U . . .
C18 C 0.3875(6) 0.7373(5) 0.3216(3) 0.036(2) Uani 1 1 d . . . . .
H18 H 0.341071 0.737010 0.299232 0.043 Uiso 1 1 calc R U . . .
C20 C 0.3182(7) 0.3479(6) 0.2067(3) 0.045(3) Uani 1 1 d . . . . .
H20 H 0.300630 0.338082 0.175610 0.054 Uiso 1 1 calc R U . . .
C22 C 0.0998(5) 0.4234(6) 0.3913(3) 0.044(3) Uani 1 1 d . . . . .
H22A H 0.072504 0.428796 0.360218 0.052 Uiso 1 1 calc R U . . .
H22B H 0.109465 0.371452 0.396977 0.052 Uiso 1 1 calc R U . . .
C24 C 0.3165(6) 0.5911(5) 0.2657(3) 0.034(2) Uani 1 1 d . . . . .
C26 C 0.4439(6) 0.6773(5) 0.3264(3) 0.0330(19) Uani 1 1 d . . . . .
C28 C 0.2878(5) 0.3962(5) 0.2824(3) 0.0290(18) Uani 1 1 d . . . . .
C32 C 0.3357(5) 0.2226(5) 0.4471(3) 0.0289(19) Uani 1 1 d . . . . .
C34 C 0.8560(6) 0.6509(5) 0.3644(3) 0.0313(19) Uani 1 1 d . . . . .
C36 C 0.2289(5) 0.4267(5) 0.3172(3) 0.032(2) Uani 1 1 d . . . . .
H36 H 0.170626 0.440942 0.308636 0.039 Uiso 1 1 calc R U . . .
C38 C 0.6213(5) 0.2342(5) 0.4622(3) 0.034(2) Uani 1 1 d . . . . .
H38 H 0.626410 0.274268 0.482476 0.040 Uiso 1 1 calc R U . . .
C40 C 0.6361(5) 0.5042(5) 0.4080(3) 0.0271(17) Uani 1 1 d . . . . .
H40 H 0.697588 0.515595 0.407007 0.033 Uiso 1 1 calc R U . . .
C42 C 0.4357(6) 0.5620(5) 0.4651(3) 0.0323(17) Uani 1 1 d . . . . .
C44 C 0.8092(7) 0.6424(6) 0.5375(3) 0.042(2) Uani 1 1 d . . . . .
H44 H 0.790428 0.665787 0.565136 0.051 Uiso 1 1 calc R U . . .
C46 C 0.3426(6) 0.5376(5) 0.4649(3) 0.0301(19) Uani 1 1 d . . . . .
H46 H 0.300190 0.559148 0.484960 0.036 Uiso 1 1 calc R U . . .
C48 C 0.8604(5) 0.5771(5) 0.4570(3) 0.036(2) Uani 1 1 d . . . . .
H48 H 0.875885 0.553507 0.428879 0.044 Uiso 1 1 calc R U . . .
C50 C 0.4015(6) 0.3286(5) 0.2219(3) 0.040(2) Uani 1 1 d . . . . .
H50 H 0.441558 0.303952 0.201983 0.049 Uiso 1 1 calc R U . . .
C52 C 0.0372(6) 0.4528(7) 0.4278(3) 0.049(3) Uani 1 1 d . . . . .
H52A H -0.018518 0.424607 0.427494 0.059 Uiso 1 1 calc R U . . .
H52B H 0.022286 0.503332 0.420150 0.059 Uiso 1 1 calc R U . . .
C54 C 0.2608(7) 0.3813(6) 0.2366(3) 0.047(2) Uani 1 1 d . . . . .
H54 H 0.202947 0.394414 0.226497 0.056 Uiso 1 1 calc R U . . .
C56 C 0.4352(7) 0.3816(6) 0.5257(3) 0.047(2) Uani 1 1 d . . . . .
H56 H 0.425174 0.413618 0.500492 0.056 Uiso 1 1 calc R U . . .
C58 C 0.0782(6) 0.4497(6) 0.4764(3) 0.043(2) Uani 1 1 d . . . . .
H58A H 0.086489 0.398909 0.485690 0.051 Uiso 1 1 calc R U . . .
H58B H 0.037625 0.472678 0.498991 0.051 Uiso 1 1 calc R U . . .
C60 C 0.1681(6) 0.4885(5) 0.4770(3) 0.034(2) Uani 1 1 d . . . . .
H60A H 0.159058 0.540315 0.470662 0.041 Uiso 1 1 calc R U . . .
H60B H 0.195195 0.483818 0.508243 0.041 Uiso 1 1 calc R U . . .
C62 C 0.8561(5) 0.6519(5) 0.4565(3) 0.0295(18) Uani 1 1 d . . . . .
C64 C 0.5334(6) 0.1581(5) 0.4149(3) 0.038(2) Uani 1 1 d . . . . .
H64 H 0.477700 0.145124 0.401823 0.046 Uiso 1 1 calc R U . . .
C66 C 0.1557(6) 0.6000(7) 0.2751(4) 0.052(3) Uani 1 1 d . . . . .
H66 H 0.105653 0.607167 0.294647 0.062 Uiso 1 1 calc R U . . .
C68 C 0.4256(6) 0.3462(5) 0.2677(3) 0.0316(18) Uani 1 1 d . . . . .
C70 C 0.4644(6) 0.6165(5) 0.4958(3) 0.038(2) Uani 1 1 d . . . . .
H70 H 0.423068 0.640552 0.515325 0.045 Uiso 1 1 calc R U . . .
C72 C 0.4602(6) 0.2634(6) 0.5544(3) 0.046(3) Uani 1 1 d . . . . .
H72 H 0.468341 0.213333 0.549416 0.055 Uiso 1 1 calc R U . . .
C74 C 1.0472(6) 0.6863(5) 0.4529(3) 0.036(2) Uani 1 1 d . . . . .
H74 H 1.016302 0.674164 0.480598 0.043 Uiso 1 1 calc R U . . .
C76 C 0.8477(6) 0.7787(5) 0.4079(3) 0.0310(19) Uani 1 1 d . . . . .
C78 C 0.8162(6) 0.5681(6) 0.5365(3) 0.046(2) Uani 1 1 d . . . . .
H78 H 0.802380 0.540152 0.563201 0.056 Uiso 1 1 calc R U . . .
C80 C 0.8191(6) 0.3557(6) 0.3438(4) 0.045(2) Uani 1 1 d . . . . .
H80A H 0.828276 0.379259 0.313359 0.055 Uiso 1 1 calc R U . . .
H80B H 0.877923 0.349042 0.358545 0.055 Uiso 1 1 calc R U . . .
C82 C 0.6888(7) 0.1348(6) 0.4236(4) 0.050(3) Uani 1 1 d . . . . .
H82 H 0.739660 0.106418 0.416947 0.060 Uiso 1 1 calc R U . . .
C84 C 0.9994(6) 0.7008(5) 0.4122(3) 0.0319(19) Uani 1 1 d . . . . .
B1 B 0.8881(7) 0.6970(6) 0.4108(4) 0.032(2) Uani 1 1 d . . . . .
C88 C 0.7627(7) 0.7960(5) 0.4245(3) 0.039(2) Uani 1 1 d . . . . .
H88 H 0.728719 0.759247 0.438984 0.047 Uiso 1 1 calc R U . . .
C11 C 0.6107(6) 0.5975(5) 0.4684(3) 0.041(2) Uani 1 1 d . . . . .
H11 H 0.672433 0.608178 0.468775 0.049 Uiso 1 1 calc R U . . .
C45 C 0.8440(6) 0.5351(6) 0.4951(4) 0.047(2) Uani 1 1 d . . . . .
H45 H 0.851398 0.484407 0.493499 0.056 Uiso 1 1 calc R U . . .
C23 C 0.8779(6) 0.5576(6) 0.3067(3) 0.038(2) Uani 1 1 d . . . . .
C47 C 0.6845(6) 0.2922(5) 0.3141(3) 0.035(2) Uani 1 1 d . . . . .
H47A H 0.691299 0.314335 0.282959 0.042 Uiso 1 1 calc R U . . .
H47B H 0.656207 0.244553 0.309994 0.042 Uiso 1 1 calc R U . . .
C3 C 0.5108(7) 0.6818(6) 0.3595(3) 0.042(2) Uani 1 1 d . . . . .
H3 H 0.549758 0.642127 0.363751 0.050 Uiso 1 1 calc R U . . .
C49 C 0.7701(6) 0.6576(6) 0.3467(3) 0.041(2) Uani 1 1 d . . . . .
H49 H 0.731017 0.691953 0.360011 0.049 Uiso 1 1 calc R U . . .
C25 C 0.6080(7) 0.1166(6) 0.4048(3) 0.045(2) Uani 1 1 d . . . . .
H25 H 0.602972 0.075944 0.384969 0.054 Uiso 1 1 calc R U . . .
C51 C 0.5219(7) 0.7432(6) 0.3866(3) 0.048(3) Uani 1 1 d . . . . .
H51 H 0.569191 0.745084 0.408476 0.058 Uiso 1 1 calc R U . . .
C13 C 1.0498(6) 0.7161(5) 0.3726(4) 0.042(2) Uani 1 1 d . . . . .
H13 H 1.020282 0.724726 0.343998 0.050 Uiso 1 1 calc R U . . .
C53 C 1.1431(6) 0.7189(5) 0.3740(4) 0.050(2) Uani 1 1 d . . . . .
H53 H 1.175118 0.730421 0.346552 0.060 Uiso 1 1 calc R U . . .
C27 C 1.1884(7) 0.7053(6) 0.4142(4) 0.048(3) Uani 1 1 d . . . . .
H27 H 1.251448 0.706876 0.415100 0.058 Uiso 1 1 calc R U . . .
C55 C 0.7260(8) 0.8634(6) 0.4208(3) 0.047(3) Uani 1 1 d . . . . .
H55 H 0.668404 0.871972 0.433051 0.056 Uiso 1 1 calc R U . . .
C7 C 0.5145(5) 0.3321(5) 0.2858(3) 0.0288(18) Uani 1 1 d . . . . .
H7 H 0.555913 0.305804 0.267534 0.035 Uiso 1 1 calc R U . . .
C57 C 0.2734(6) 0.2425(6) 0.4144(3) 0.041(2) Uani 1 1 d . . . . .
H57 H 0.284979 0.283281 0.395458 0.049 Uiso 1 1 calc R U . . .
C29 C 0.7926(7) 0.5652(7) 0.2890(3) 0.050(2) Uani 1 1 d . . . . .
H29 H 0.772027 0.536991 0.263662 0.060 Uiso 1 1 calc R U . . .
C59 C 0.3163(6) 0.1628(6) 0.4745(4) 0.053(3) Uani 1 1 d . . . . .
H59 H 0.356971 0.148141 0.497897 0.063 Uiso 1 1 calc R U . . .
C15 C 0.6683(5) 0.4133(5) 0.3535(3) 0.0273(18) Uani 1 1 d . . . . .
H15 H 0.674419 0.438926 0.323107 0.033 Uiso 1 1 calc R U . . .
C61 C 0.7402(7) 0.6151(6) 0.3099(4) 0.050(3) Uani 1 1 d . . . . .
H61 H 0.681112 0.621242 0.299040 0.060 Uiso 1 1 calc R U . . .
C31 C 0.7762(6) 0.2826(6) 0.3363(4) 0.044(2) Uani 1 1 d . . . . .
H31A H 0.770072 0.257428 0.366498 0.053 Uiso 1 1 calc R U . . .
H31B H 0.814215 0.252898 0.315832 0.053 Uiso 1 1 calc R U . . .
C63 C 1.1402(6) 0.6894(5) 0.4532(4) 0.044(2) Uani 1 1 d . . . . .
H63 H 1.170828 0.680205 0.481436 0.053 Uiso 1 1 calc R U . . .
C2 C 0.3028(7) 0.5829(6) 0.2182(3) 0.051(3) Uani 1 1 d . . . . .
H2 H 0.352545 0.577528 0.198208 0.062 Uiso 1 1 calc R U . . .
C65 C 0.7728(9) 0.9205(6) 0.3990(4) 0.057(3) Uani 1 1 d . . . . .
H65 H 0.748058 0.967343 0.396425 0.069 Uiso 1 1 calc R U . . .
C67 C 0.4664(7) 0.8006(6) 0.3825(4) 0.049(3) Uani 1 1 d . . . . .
H67 H 0.473484 0.841709 0.401767 0.059 Uiso 1 1 calc R U . . .
C17 C 0.6964(6) 0.1939(6) 0.4519(3) 0.043(2) Uani 1 1 d . . . . .
H17 H 0.752443 0.207019 0.464390 0.051 Uiso 1 1 calc R U . . .
C69 C 0.7619(5) 0.4043(5) 0.3747(4) 0.042(2) Uani 1 1 d . . . . .
H69A H 0.790497 0.452050 0.377659 0.050 Uiso 1 1 calc R U . . .
H69B H 0.756978 0.383071 0.406119 0.050 Uiso 1 1 calc R U . . .
C35 C 0.4010(7) 0.7979(6) 0.3503(4) 0.053(3) Uani 1 1 d . . . . .
H35 H 0.362718 0.838213 0.346945 0.064 Uiso 1 1 calc R U . . .
C71 C 0.2168(8) 0.5824(8) 0.1993(4) 0.065(4) Uani 1 1 d . . . . .
H71 H 0.208643 0.577039 0.166782 0.078 Uiso 1 1 calc R U . . .
C9 C 0.8293(6) 0.6827(5) 0.4988(3) 0.039(2) Uani 1 1 d . . . . .
H9 H 0.824842 0.733537 0.500824 0.047 Uiso 1 1 calc R U . . .
C73 C 0.8561(8) 0.9046(6) 0.3817(4) 0.049(3) Uani 1 1 d . . . . .
H73 H 0.889494 0.940791 0.366283 0.059 Uiso 1 1 calc R U . . .
C37 C 0.1460(7) 0.5897(7) 0.2276(4) 0.060(3) Uani 1 1 d . . . . .
H37 H 0.088021 0.587711 0.214678 0.072 Uiso 1 1 calc R U . . .
C19 C 0.1950(7) 0.2057(8) 0.4082(4) 0.056(3) Uani 1 1 d . . . . .
H19 H 0.152722 0.221850 0.386058 0.068 Uiso 1 1 calc R U . . .
C77 C 0.4380(7) 0.4093(8) 0.5707(4) 0.067(4) Uani 1 1 d . . . . .
H77 H 0.431052 0.459432 0.575902 0.081 Uiso 1 1 calc R U . . .
C39 C 0.8913(7) 0.8361(5) 0.3866(3) 0.042(2) Uani 1 1 d . . . . .
H39 H 0.949136 0.827672 0.374638 0.051 Uiso 1 1 calc R U . . .
C79 C 0.5531(7) 0.6341(5) 0.4972(4) 0.047(2) Uani 1 1 d . . . . .
H79 H 0.574184 0.670671 0.517455 0.056 Uiso 1 1 calc R U . . .
C5 C 0.1784(6) 0.1448(7) 0.4348(4) 0.057(3) Uani 1 1 d . . . . .
H5 H 0.125859 0.117524 0.429905 0.068 Uiso 1 1 calc R U . . .
C81 C 0.2381(6) 0.1243(6) 0.4679(5) 0.059(3) Uani 1 1 d . . . . .
H81 H 0.226101 0.083408 0.486713 0.071 Uiso 1 1 calc R U . . .
C41 C 0.4507(7) 0.3638(9) 0.6071(4) 0.068(4) Uani 1 1 d . . . . .
H41 H 0.451959 0.382140 0.637942 0.081 Uiso 1 1 calc R U . . .
C21 C 0.5432(6) 0.5195(3) 0.2276(3) 0.089(5) Uani 1 1 d G . . . .
H21 H 0.519873 0.476403 0.240526 0.107 Uiso 1 1 calc R U . . .
C83 C 0.6046(6) 0.5162(4) 0.1916(3) 0.101(6) Uani 1 1 d G . . . .
H83 H 0.623221 0.470830 0.179882 0.121 Uiso 1 1 calc R U . . .
C75 C 0.6388(5) 0.5792(5) 0.1727(2) 0.068(4) Uani 1 1 d G . . . .
H75 H 0.680745 0.576912 0.148112 0.082 Uiso 1 1 calc R U . . .
C33 C 0.6116(4) 0.6455(4) 0.1899(2) 0.055(3) Uani 1 1 d G . . . .
H33 H 0.634921 0.688567 0.176987 0.066 Uiso 1 1 calc R U . . .
C86 C 0.5502(4) 0.6488(3) 0.2259(2) 0.042(2) Uani 1 1 d G . . . .
H86 H 0.531573 0.694141 0.237630 0.050 Uiso 1 1 calc R U . . .
C30 C 0.5160(4) 0.5858(3) 0.2448(2) 0.033(2) Uani 1 1 d G . . . .
C85 C 0.4619(8) 0.2910(10) 0.5995(4) 0.070(4) Uani 1 1 d . . . . .
H85 H 0.470885 0.259569 0.625169 0.083 Uiso 1 1 calc R U . . .
C43 C 0.0924(11) 0.2348(10) 0.2470(5) 0.098(5) Uani 1 1 d . . . . .
H43A H 0.060318 0.191886 0.235398 0.118 Uiso 1 1 calc R U . . .
H43B H 0.134696 0.249996 0.222502 0.118 Uiso 1 1 calc R U . . .
Cl2 Cl 0.8000(3) 0.3857(3) 0.20168(18) 0.1209(18) Uani 1 1 d . . . . .
Cl3 Cl 0.8762(6) 0.4842(5) 0.1349(4) 0.217(4) Uani 1 1 d . . . . .
C87 C 0.8774(15) 0.4057(10) 0.1612(9) 0.148(10) Uani 1 1 d . . . . .
H87A H 0.936235 0.400576 0.176271 0.178 Uiso 1 1 calc R U . . .
H87B H 0.873901 0.368260 0.136836 0.178 Uiso 1 1 calc R U . . .
O3 O 0.6171(9) 0.8969(7) 0.4340(5) 0.121(5) Uani 1 1 d D . . . .
H3A H 0.601(11) 0.868(7) 0.412(5) 0.145 Uiso 1 1 d D U . . .
H3B H 0.575(8) 0.928(7) 0.434(6) 0.145 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.133(5) . ?
Dy1 N1 2.616(7) . ?
Dy1 O2 2.137(5) . ?
Dy1 N6 2.653(7) . ?
Dy1 N5 2.718(6) . ?
Dy1 N4 2.628(7) . ?
Dy1 N2 2.656(6) . ?
Dy1 N3 2.597(7) . ?
Br1 C23 1.926(10) . ?
Si1 O1 1.595(5) . ?
Si1 C8 1.875(9) . ?
Si1 C12 1.889(8) . ?
Si1 C32 1.883(9) . ?
Si2 O2 1.589(6) . ?
Si2 C24 1.881(9) . ?
Si2 C26 1.889(9) . ?
Si2 C30 1.909(5) . ?
Cl1 C43 1.727(16) . ?
N1 C6 1.349(11) . ?
N1 C42 1.328(10) . ?
N6 C14 1.468(10) . ?
N6 C46 1.254(11) . ?
N5 C10 1.467(10) . ?
N5 C36 1.254(10) . ?
N4 C28 1.354(10) . ?
N4 C68 1.349(11) . ?
N2 C40 1.271(10) . ?
N2 C15 1.466(10) . ?
N3 C1 1.460(10) . ?
N3 C7 1.274(10) . ?
C1 H1 1.0000 . ?
C1 C47 1.531(11) . ?
C1 C15 1.536(12) . ?
Cl4 C43 1.596(16) . ?
C4 H4 0.9500 . ?
C4 C34 1.393(12) . ?
C4 C23 1.391(12) . ?
C6 C40 1.461(11) . ?
C6 C11 1.392(12) . ?
C8 C56 1.374(13) . ?
C8 C72 1.408(13) . ?
C10 H10 1.0000 . ?
C10 C14 1.537(11) . ?
C10 C22 1.528(12) . ?
C12 C38 1.400(12) . ?
C12 C64 1.370(13) . ?
C14 H14 1.0000 . ?
C14 C60 1.521(11) . ?
C16 H16 0.9500 . ?
C16 C24 1.373(12) . ?
C16 C66 1.412(13) . ?
C18 H18 0.9500 . ?
C18 C26 1.408(12) . ?
C18 C35 1.412(15) . ?
C20 H20 0.9500 . ?
C20 C50 1.376(13) . ?
C20 C54 1.369(14) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C52 1.513(13) . ?
C24 C2 1.389(13) . ?
C26 C3 1.389(13) . ?
C28 C36 1.453(12) . ?
C28 C54 1.405(12) . ?
C32 C57 1.379(12) . ?
C32 C59 1.393(14) . ?
C34 B1 1.657(13) . ?
C34 C49 1.397(12) . ?
C36 H36 0.9500 . ?
C38 H38 0.9500 . ?
C38 C17 1.388(13) . ?
C40 H40 0.9500 . ?
C42 C46 1.475(12) . ?
C42 C70 1.411(12) . ?
C44 H44 0.9500 . ?
C44 C78 1.387(15) . ?
C44 C9 1.373(13) . ?
C46 H46 0.9500 . ?
C48 H48 0.9500 . ?
C48 C62 1.393(13) . ?
C48 C45 1.366(13) . ?
C50 H50 0.9500 . ?
C50 C68 1.405(12) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 C58 1.528(13) . ?
C54 H54 0.9500 . ?
C56 H56 0.9500 . ?
C56 C77 1.395(14) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C60 1.534(13) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C62 B1 1.633(14) . ?
C62 C9 1.404(13) . ?
C64 H64 0.9500 . ?
C64 C25 1.394(13) . ?
C66 H66 0.9500 . ?
C66 C37 1.387(15) . ?
C68 C7 1.460(12) . ?
C70 H70 0.9500 . ?
C70 C79 1.377(14) . ?
C72 H72 0.9500 . ?
C72 C85 1.395(16) . ?
C74 H74 0.9500 . ?
C74 C84 1.400(13) . ?
C74 C63 1.402(13) . ?
C76 B1 1.638(14) . ?
C76 C88 1.405(13) . ?
C76 C39 1.394(13) . ?
C78 H78 0.9500 . ?
C78 C45 1.405(15) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 C31 1.520(15) . ?
C80 C69 1.532(13) . ?
C82 H82 0.9500 . ?
C82 C25 1.375(15) . ?
C82 C17 1.371(15) . ?
C84 B1 1.678(13) . ?
C84 C13 1.398(13) . ?
C88 H88 0.9500 . ?
C88 C55 1.373(14) . ?
C11 H11 0.9500 . ?
C11 C79 1.378(14) . ?
C45 H45 0.9500 . ?
C23 C29 1.389(13) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C31 1.533(13) . ?
C3 H3 0.9500 . ?
C3 C51 1.394(14) . ?
C49 H49 0.9500 . ?
C49 C61 1.396(14) . ?
C25 H25 0.9500 . ?
C51 H51 0.9500 . ?
C51 C67 1.361(15) . ?
C13 H13 0.9500 . ?
C13 C53 1.406(13) . ?
C53 H53 0.9500 . ?
C53 C27 1.366(16) . ?
C27 H27 0.9500 . ?
C27 C63 1.367(15) . ?
C55 H55 0.9500 . ?
C55 C65 1.420(16) . ?
C7 H7 0.9500 . ?
C57 H57 0.9500 . ?
C57 C19 1.375(15) . ?
C29 H29 0.9500 . ?
C29 C61 1.357(15) . ?
C59 H59 0.9500 . ?
C59 C81 1.391(14) . ?
C15 H15 1.0000 . ?
C15 C69 1.544(11) . ?
C61 H61 0.9500 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C63 H63 0.9500 . ?
C2 H2 0.9500 . ?
C2 C71 1.405(15) . ?
C65 H65 0.9500 . ?
C65 C73 1.382(16) . ?
C67 H67 0.9500 . ?
C67 C35 1.353(16) . ?
C17 H17 0.9500 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C35 H35 0.9500 . ?
C71 H71 0.9500 . ?
C71 C37 1.348(16) . ?
C9 H9 0.9500 . ?
C73 H73 0.9500 . ?
C73 C39 1.386(14) . ?
C37 H37 0.9500 . ?
C19 H19 0.9500 . ?
C19 C5 1.390(18) . ?
C77 H77 0.9500 . ?
C77 C41 1.360(19) . ?
C39 H39 0.9500 . ?
C79 H79 0.9500 . ?
C5 H5 0.9500 . ?
C5 C81 1.364(17) . ?
C81 H81 0.9500 . ?
C41 H41 0.9500 . ?
C41 C85 1.38(2) . ?
C21 H21 0.9500 . ?
C21 C83 1.3900 . ?
C21 C30 1.3900 . ?
C83 H83 0.9500 . ?
C83 C75 1.3900 . ?
C75 H75 0.9500 . ?
C75 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C86 1.3900 . ?
C86 H86 0.9500 . ?
C86 C30 1.3900 . ?
C85 H85 0.9500 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
Cl2 C87 1.689(19) . ?
Cl3 C87 1.65(2) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
O3 H3A 0.860(14) . ?
O3 H3B 0.861(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N1 95.4(2) . . ?
O1 Dy1 O2 175.0(3) . . ?
O1 Dy1 N6 84.0(2) . . ?
O1 Dy1 N5 97.7(2) . . ?
O1 Dy1 N4 102.3(2) . . ?
O1 Dy1 N2 91.1(2) . . ?
O1 Dy1 N3 81.7(2) . . ?
N1 Dy1 N6 61.0(2) . . ?
N1 Dy1 N5 117.2(2) . . ?
N1 Dy1 N4 162.3(2) . . ?
N1 Dy1 N2 61.7(2) . . ?
O2 Dy1 N1 83.9(2) . . ?
O2 Dy1 N6 99.9(2) . . ?
O2 Dy1 N5 87.0(2) . . ?
O2 Dy1 N4 78.6(2) . . ?
O2 Dy1 N2 84.2(2) . . ?
O2 Dy1 N3 94.5(2) . . ?
N6 Dy1 N5 59.8(2) . . ?
N6 Dy1 N2 121.6(2) . . ?
N4 Dy1 N6 119.9(2) . . ?
N4 Dy1 N5 60.0(2) . . ?
N4 Dy1 N2 118.0(2) . . ?
N2 Dy1 N5 171.2(2) . . ?
N3 Dy1 N1 122.7(2) . . ?
N3 Dy1 N6 165.5(2) . . ?
N3 Dy1 N5 119.9(2) . . ?
N3 Dy1 N4 61.5(2) . . ?
N3 Dy1 N2 61.2(2) . . ?
O1 Si1 C8 109.6(4) . . ?
O1 Si1 C12 112.6(4) . . ?
O1 Si1 C32 109.2(4) . . ?
C8 Si1 C12 108.2(4) . . ?
C8 Si1 C32 109.0(4) . . ?
C32 Si1 C12 108.2(4) . . ?
O2 Si2 C24 110.9(4) . . ?
O2 Si2 C26 108.7(3) . . ?
O2 Si2 C30 111.9(3) . . ?
C24 Si2 C26 108.0(4) . . ?
C24 Si2 C30 108.0(4) . . ?
C26 Si2 C30 109.2(3) . . ?
Si1 O1 Dy1 179.5(4) . . ?
C6 N1 Dy1 121.1(5) . . ?
C42 N1 Dy1 121.5(5) . . ?
C42 N1 C6 117.3(7) . . ?
Si2 O2 Dy1 171.7(4) . . ?
C14 N6 Dy1 118.5(5) . . ?
C46 N6 Dy1 121.3(5) . . ?
C46 N6 C14 120.1(7) . . ?
C10 N5 Dy1 122.5(5) . . ?
C36 N5 Dy1 117.7(5) . . ?
C36 N5 C10 117.5(7) . . ?
C28 N4 Dy1 120.4(5) . . ?
C68 N4 Dy1 120.3(5) . . ?
C68 N4 C28 117.6(7) . . ?
C40 N2 Dy1 119.6(5) . . ?
C40 N2 C15 118.7(7) . . ?
C15 N2 Dy1 121.3(5) . . ?
C1 N3 Dy1 117.9(5) . . ?
C7 N3 Dy1 121.8(5) . . ?
C7 N3 C1 120.2(7) . . ?
N3 C1 H1 107.6 . . ?
N3 C1 C47 116.1(7) . . ?
N3 C1 C15 106.2(7) . . ?
C47 C1 H1 107.6 . . ?
C47 C1 C15 111.3(7) . . ?
C15 C1 H1 107.6 . . ?
C34 C4 H4 119.5 . . ?
C23 C4 H4 119.5 . . ?
C23 C4 C34 121.0(8) . . ?
N1 C6 C40 115.8(7) . . ?
N1 C6 C11 123.1(8) . . ?
C11 C6 C40 121.1(8) . . ?
C56 C8 Si1 119.3(7) . . ?
C56 C8 C72 117.4(9) . . ?
C72 C8 Si1 123.3(7) . . ?
N5 C10 H10 108.2 . . ?
N5 C10 C14 107.9(6) . . ?
N5 C10 C22 114.3(8) . . ?
C14 C10 H10 108.2 . . ?
C22 C10 H10 108.2 . . ?
C22 C10 C14 109.8(7) . . ?
C38 C12 Si1 120.0(7) . . ?
C64 C12 Si1 122.4(6) . . ?
C64 C12 C38 117.5(8) . . ?
N6 C14 C10 107.1(6) . . ?
N6 C14 H14 107.2 . . ?
N6 C14 C60 117.1(7) . . ?
C10 C14 H14 107.2 . . ?
C60 C14 C10 110.5(7) . . ?
C60 C14 H14 107.2 . . ?
C24 C16 H16 118.7 . . ?
C24 C16 C66 122.6(9) . . ?
C66 C16 H16 118.7 . . ?
C26 C18 H18 120.4 . . ?
C26 C18 C35 119.2(9) . . ?
C35 C18 H18 120.4 . . ?
C50 C20 H20 120.2 . . ?
C54 C20 H20 120.2 . . ?
C54 C20 C50 119.6(9) . . ?
C10 C22 H22A 109.3 . . ?
C10 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
C52 C22 C10 111.7(9) . . ?
C52 C22 H22A 109.3 . . ?
C52 C22 H22B 109.3 . . ?
C16 C24 Si2 119.3(7) . . ?
C16 C24 C2 117.4(9) . . ?
C2 C24 Si2 123.2(7) . . ?
C18 C26 Si2 124.1(7) . . ?
C3 C26 Si2 118.6(7) . . ?
C3 C26 C18 117.3(9) . . ?
N4 C28 C36 115.1(7) . . ?
N4 C28 C54 121.7(8) . . ?
C54 C28 C36 123.1(8) . . ?
C57 C32 Si1 120.0(7) . . ?
C57 C32 C59 117.2(9) . . ?
C59 C32 Si1 122.8(7) . . ?
C4 C34 B1 122.6(8) . . ?
C4 C34 C49 116.0(8) . . ?
C49 C34 B1 121.2(8) . . ?
N5 C36 C28 120.9(7) . . ?
N5 C36 H36 119.6 . . ?
C28 C36 H36 119.6 . . ?
C12 C38 H38 119.2 . . ?
C17 C38 C12 121.5(9) . . ?
C17 C38 H38 119.2 . . ?
N2 C40 C6 120.9(7) . . ?
N2 C40 H40 119.5 . . ?
C6 C40 H40 119.5 . . ?
N1 C42 C46 116.1(7) . . ?
N1 C42 C70 122.8(8) . . ?
C70 C42 C46 121.0(8) . . ?
C78 C44 H44 119.6 . . ?
C9 C44 H44 119.6 . . ?
C9 C44 C78 120.7(9) . . ?
N6 C46 C42 119.2(7) . . ?
N6 C46 H46 120.4 . . ?
C42 C46 H46 120.4 . . ?
C62 C48 H48 117.6 . . ?
C45 C48 H48 117.6 . . ?
C45 C48 C62 124.8(9) . . ?
C20 C50 H50 120.9 . . ?
C20 C50 C68 118.2(9) . . ?
C68 C50 H50 120.9 . . ?
C22 C52 H52A 109.3 . . ?
C22 C52 H52B 109.3 . . ?
C22 C52 C58 111.6(8) . . ?
H52A C52 H52B 108.0 . . ?
C58 C52 H52A 109.3 . . ?
C58 C52 H52B 109.3 . . ?
C20 C54 C28 119.7(9) . . ?
C20 C54 H54 120.2 . . ?
C28 C54 H54 120.2 . . ?
C8 C56 H56 118.8 . . ?
C8 C56 C77 122.5(11) . . ?
C77 C56 H56 118.8 . . ?
C52 C58 H58A 109.5 . . ?
C52 C58 H58B 109.5 . . ?
C52 C58 C60 110.5(8) . . ?
H58A C58 H58B 108.1 . . ?
C60 C58 H58A 109.5 . . ?
C60 C58 H58B 109.5 . . ?
C14 C60 C58 110.8(8) . . ?
C14 C60 H60A 109.5 . . ?
C14 C60 H60B 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 108.1 . . ?
C48 C62 B1 120.6(8) . . ?
C48 C62 C9 114.3(8) . . ?
C9 C62 B1 125.0(8) . . ?
C12 C64 H64 119.2 . . ?
C12 C64 C25 121.6(9) . . ?
C25 C64 H64 119.2 . . ?
C16 C66 H66 121.3 . . ?
C37 C66 C16 117.5(9) . . ?
C37 C66 H66 121.3 . . ?
N4 C68 C50 123.2(8) . . ?
N4 C68 C7 114.9(7) . . ?
C50 C68 C7 121.9(8) . . ?
C42 C70 H70 120.5 . . ?
C79 C70 C42 119.0(8) . . ?
C79 C70 H70 120.5 . . ?
C8 C72 H72 119.9 . . ?
C85 C72 C8 120.1(12) . . ?
C85 C72 H72 119.9 . . ?
C84 C74 H74 119.6 . . ?
C84 C74 C63 120.7(9) . . ?
C63 C74 H74 119.6 . . ?
C88 C76 B1 122.3(8) . . ?
C39 C76 B1 123.9(8) . . ?
C39 C76 C88 113.8(9) . . ?
C44 C78 H78 120.8 . . ?
C44 C78 C45 118.3(9) . . ?
C45 C78 H78 120.8 . . ?
H80A C80 H80B 107.9 . . ?
C31 C80 H80A 109.3 . . ?
C31 C80 H80B 109.3 . . ?
C31 C80 C69 111.8(8) . . ?
C69 C80 H80A 109.3 . . ?
C69 C80 H80B 109.3 . . ?
C25 C82 H82 119.9 . . ?
C17 C82 H82 119.9 . . ?
C17 C82 C25 120.3(9) . . ?
C74 C84 B1 121.8(8) . . ?
C13 C84 C74 116.1(8) . . ?
C13 C84 B1 122.1(8) . . ?
C34 B1 C84 109.4(8) . . ?
C62 B1 C34 107.2(7) . . ?
C62 B1 C76 114.0(8) . . ?
C62 B1 C84 107.3(8) . . ?
C76 B1 C34 109.4(7) . . ?
C76 B1 C84 109.4(8) . . ?
C76 C88 H88 118.3 . . ?
C55 C88 C76 123.3(10) . . ?
C55 C88 H88 118.3 . . ?
C6 C11 H11 120.4 . . ?
C79 C11 C6 119.2(9) . . ?
C79 C11 H11 120.4 . . ?
C48 C45 C78 118.9(10) . . ?
C48 C45 H45 120.5 . . ?
C78 C45 H45 120.5 . . ?
C4 C23 Br1 117.9(7) . . ?
C29 C23 Br1 119.5(7) . . ?
C29 C23 C4 122.6(9) . . ?
C1 C47 H47A 109.4 . . ?
C1 C47 H47B 109.4 . . ?
C1 C47 C31 111.0(7) . . ?
H47A C47 H47B 108.0 . . ?
C31 C47 H47A 109.4 . . ?
C31 C47 H47B 109.4 . . ?
C26 C3 H3 119.3 . . ?
C26 C3 C51 121.3(9) . . ?
C51 C3 H3 119.3 . . ?
C34 C49 H49 119.1 . . ?
C61 C49 C34 121.7(10) . . ?
C61 C49 H49 119.1 . . ?
C64 C25 H25 120.2 . . ?
C82 C25 C64 119.7(10) . . ?
C82 C25 H25 120.2 . . ?
C3 C51 H51 119.3 . . ?
C67 C51 C3 121.3(10) . . ?
C67 C51 H51 119.3 . . ?
C84 C13 H13 119.1 . . ?
C84 C13 C53 121.9(10) . . ?
C53 C13 H13 119.1 . . ?
C13 C53 H53 119.5 . . ?
C27 C53 C13 121.1(11) . . ?
C27 C53 H53 119.5 . . ?
C53 C27 H27 121.0 . . ?
C53 C27 C63 117.9(9) . . ?
C63 C27 H27 121.0 . . ?
C88 C55 H55 119.4 . . ?
C88 C55 C65 121.1(11) . . ?
C65 C55 H55 119.4 . . ?
N3 C7 C68 120.1(7) . . ?
N3 C7 H7 119.9 . . ?
C68 C7 H7 119.9 . . ?
C32 C57 H57 118.7 . . ?
C19 C57 C32 122.6(11) . . ?
C19 C57 H57 118.7 . . ?
C23 C29 H29 121.8 . . ?
C61 C29 C23 116.4(9) . . ?
C61 C29 H29 121.8 . . ?
C32 C59 H59 119.6 . . ?
C81 C59 C32 120.7(10) . . ?
C81 C59 H59 119.6 . . ?
N2 C15 C1 106.6(6) . . ?
N2 C15 H15 108.2 . . ?
N2 C15 C69 114.5(7) . . ?
C1 C15 H15 108.2 . . ?
C1 C15 C69 111.1(7) . . ?
C69 C15 H15 108.2 . . ?
C49 C61 H61 118.8 . . ?
C29 C61 C49 122.3(9) . . ?
C29 C61 H61 118.8 . . ?
C80 C31 C47 109.7(8) . . ?
C80 C31 H31A 109.7 . . ?
C80 C31 H31B 109.7 . . ?
C47 C31 H31A 109.7 . . ?
C47 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C74 C63 H63 118.8 . . ?
C27 C63 C74 122.3(10) . . ?
C27 C63 H63 118.8 . . ?
C24 C2 H2 119.4 . . ?
C24 C2 C71 121.2(10) . . ?
C71 C2 H2 119.4 . . ?
C55 C65 H65 121.7 . . ?
C73 C65 C55 116.7(10) . . ?
C73 C65 H65 121.7 . . ?
C51 C67 H67 120.7 . . ?
C35 C67 C51 118.6(10) . . ?
C35 C67 H67 120.7 . . ?
C38 C17 H17 120.3 . . ?
C82 C17 C38 119.4(9) . . ?
C82 C17 H17 120.3 . . ?
C80 C69 C15 110.4(8) . . ?
C80 C69 H69A 109.6 . . ?
C80 C69 H69B 109.6 . . ?
C15 C69 H69A 109.6 . . ?
C15 C69 H69B 109.6 . . ?
H69A C69 H69B 108.1 . . ?
C18 C35 H35 118.9 . . ?
C67 C35 C18 122.3(10) . . ?
C67 C35 H35 118.9 . . ?
C2 C71 H71 120.1 . . ?
C37 C71 C2 119.7(10) . . ?
C37 C71 H71 120.1 . . ?
C44 C9 C62 122.9(9) . . ?
C44 C9 H9 118.6 . . ?
C62 C9 H9 118.6 . . ?
C65 C73 H73 119.8 . . ?
C65 C73 C39 120.5(10) . . ?
C39 C73 H73 119.8 . . ?
C66 C37 H37 119.2 . . ?
C71 C37 C66 121.6(10) . . ?
C71 C37 H37 119.2 . . ?
C57 C19 H19 120.4 . . ?
C57 C19 C5 119.3(10) . . ?
C5 C19 H19 120.4 . . ?
C56 C77 H77 120.3 . . ?
C41 C77 C56 119.3(12) . . ?
C41 C77 H77 120.3 . . ?
C76 C39 H39 117.7 . . ?
C73 C39 C76 124.6(10) . . ?
C73 C39 H39 117.7 . . ?
C70 C79 C11 118.5(9) . . ?
C70 C79 H79 120.8 . . ?
C11 C79 H79 120.8 . . ?
C19 C5 H5 120.2 . . ?
C81 C5 C19 119.5(10) . . ?
C81 C5 H5 120.2 . . ?
C59 C81 H81 119.7 . . ?
C5 C81 C59 120.6(11) . . ?
C5 C81 H81 119.7 . . ?
C77 C41 H41 119.8 . . ?
C77 C41 C85 120.4(11) . . ?
C85 C41 H41 119.8 . . ?
C83 C21 H21 120.0 . . ?
C83 C21 C30 120.0 . . ?
C30 C21 H21 120.0 . . ?
C21 C83 H83 120.0 . . ?
C75 C83 C21 120.0 . . ?
C75 C83 H83 120.0 . . ?
C83 C75 H75 120.0 . . ?
C83 C75 C33 120.0 . . ?
C33 C75 H75 120.0 . . ?
C75 C33 H33 120.0 . . ?
C86 C33 C75 120.0 . . ?
C86 C33 H33 120.0 . . ?
C33 C86 H86 120.0 . . ?
C33 C86 C30 120.0 . . ?
C30 C86 H86 120.0 . . ?
C21 C30 Si2 120.0(4) . . ?
C86 C30 Si2 120.0(4) . . ?
C86 C30 C21 120.0 . . ?
C72 C85 H85 119.8 . . ?
C41 C85 C72 120.3(12) . . ?
C41 C85 H85 119.8 . . ?
Cl1 C43 H43A 109.0 . . ?
Cl1 C43 H43B 109.0 . . ?
Cl4 C43 Cl1 112.7(9) . . ?
Cl4 C43 H43A 109.0 . . ?
Cl4 C43 H43B 109.0 . . ?
H43A C43 H43B 107.8 . . ?
Cl2 C87 H87A 107.2 . . ?
Cl2 C87 H87B 107.2 . . ?
Cl3 C87 Cl2 120.4(12) . . ?
Cl3 C87 H87A 107.2 . . ?
Cl3 C87 H87B 107.2 . . ?
H87A C87 H87B 106.9 . . ?
H3A O3 H3B 102(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C6 C40 -5.1(9) . . . . ?
Dy1 N1 C6 C11 174.9(7) . . . . ?
Dy1 N1 C42 C46 8.6(10) . . . . ?
Dy1 N1 C42 C70 -174.4(6) . . . . ?
Dy1 N6 C14 C10 -55.1(7) . . . . ?
Dy1 N6 C14 C60 -179.8(5) . . . . ?
Dy1 N6 C46 C42 -6.5(10) . . . . ?
Dy1 N5 C10 C14 -25.7(9) . . . . ?
Dy1 N5 C10 C22 -148.1(6) . . . . ?
Dy1 N5 C36 C28 19.9(12) . . . . ?
Dy1 N4 C28 C36 -19.0(10) . . . . ?
Dy1 N4 C28 C54 164.6(7) . . . . ?
Dy1 N4 C68 C50 -166.1(7) . . . . ?
Dy1 N4 C68 C7 12.1(10) . . . . ?
Dy1 N2 C40 C6 9.7(10) . . . . ?
Dy1 N2 C15 C1 -31.8(8) . . . . ?
Dy1 N2 C15 C69 -155.0(6) . . . . ?
Dy1 N3 C1 C47 -179.9(6) . . . . ?
Dy1 N3 C1 C15 -55.5(7) . . . . ?
Dy1 N3 C7 C68 -4.9(11) . . . . ?
Br1 C23 C29 C61 -178.9(8) . . . . ?
Si1 C8 C56 C77 179.1(8) . . . . ?
Si1 C8 C72 C85 -178.3(7) . . . . ?
Si1 C12 C38 C17 -175.5(7) . . . . ?
Si1 C12 C64 C25 176.3(7) . . . . ?
Si1 C32 C57 C19 -178.1(8) . . . . ?
Si1 C32 C59 C81 179.3(9) . . . . ?
Si2 C24 C2 C71 178.8(10) . . . . ?
Si2 C26 C3 C51 -176.9(7) . . . . ?
O1 Si1 C8 C56 8.9(8) . . . . ?
O1 Si1 C8 C72 -172.6(7) . . . . ?
O1 Si1 C12 C38 82.7(7) . . . . ?
O1 Si1 C12 C64 -94.0(8) . . . . ?
O1 Si1 C32 C57 2.1(8) . . . . ?
O1 Si1 C32 C59 -175.6(8) . . . . ?
N1 C6 C40 N2 -3.2(12) . . . . ?
N1 C6 C11 C79 0.6(14) . . . . ?
N1 C42 C46 N6 -1.3(12) . . . . ?
N1 C42 C70 C79 -1.4(14) . . . . ?
O2 Si2 C24 C16 61.5(8) . . . . ?
O2 Si2 C24 C2 -117.7(9) . . . . ?
O2 Si2 C26 C18 -133.7(7) . . . . ?
O2 Si2 C26 C3 42.6(8) . . . . ?
N6 C14 C60 C58 -179.0(7) . . . . ?
N5 C10 C14 N6 48.6(9) . . . . ?
N5 C10 C14 C60 177.2(7) . . . . ?
N5 C10 C22 C52 178.0(8) . . . . ?
N4 C28 C36 N5 -1.4(13) . . . . ?
N4 C28 C54 C20 0.8(15) . . . . ?
N4 C68 C7 N3 -4.9(12) . . . . ?
N2 C15 C69 C80 174.9(8) . . . . ?
N3 C1 C47 C31 178.1(7) . . . . ?
N3 C1 C15 N2 52.9(8) . . . . ?
N3 C1 C15 C69 178.2(7) . . . . ?
C1 N3 C7 C68 179.1(7) . . . . ?
C1 C47 C31 C80 -57.6(11) . . . . ?
C1 C15 C69 C80 54.2(10) . . . . ?
C4 C34 B1 C62 -90.4(10) . . . . ?
C4 C34 B1 C76 145.4(8) . . . . ?
C4 C34 B1 C84 25.6(12) . . . . ?
C4 C34 C49 C61 -0.4(14) . . . . ?
C4 C23 C29 C61 -0.8(16) . . . . ?
C6 N1 C42 C46 -174.5(7) . . . . ?
C6 N1 C42 C70 2.5(12) . . . . ?
C6 C11 C79 C70 0.6(15) . . . . ?
C8 Si1 C12 C38 -38.6(8) . . . . ?
C8 Si1 C12 C64 144.7(7) . . . . ?
C8 Si1 C32 C57 121.8(8) . . . . ?
C8 Si1 C32 C59 -55.8(9) . . . . ?
C8 C56 C77 C41 -1.1(17) . . . . ?
C8 C72 C85 C41 -0.5(15) . . . . ?
C10 N5 C36 C28 -177.0(8) . . . . ?
C10 C14 C60 C58 58.1(10) . . . . ?
C10 C22 C52 C58 -55.8(12) . . . . ?
C12 Si1 C8 C56 132.0(7) . . . . ?
C12 Si1 C8 C72 -49.5(8) . . . . ?
C12 Si1 C32 C57 -120.7(8) . . . . ?
C12 Si1 C32 C59 61.6(9) . . . . ?
C12 C38 C17 C82 -1.8(15) . . . . ?
C12 C64 C25 C82 0.1(15) . . . . ?
C14 N6 C46 C42 172.8(7) . . . . ?
C14 C10 C22 C52 56.6(10) . . . . ?
C16 C24 C2 C71 -0.5(17) . . . . ?
C16 C66 C37 C71 -3(2) . . . . ?
C18 C26 C3 C51 -0.3(13) . . . . ?
C20 C50 C68 N4 2.2(15) . . . . ?
C20 C50 C68 C7 -175.9(9) . . . . ?
C22 C10 C14 N6 173.8(7) . . . . ?
C22 C10 C14 C60 -57.7(10) . . . . ?
C22 C52 C58 C60 54.9(12) . . . . ?
C24 Si2 C26 C18 -13.3(8) . . . . ?
C24 Si2 C26 C3 163.1(7) . . . . ?
C24 C16 C66 C37 2.0(17) . . . . ?
C24 C2 C71 C37 0(2) . . . . ?
C26 Si2 C24 C16 -57.4(8) . . . . ?
C26 Si2 C24 C2 123.3(9) . . . . ?
C26 C18 C35 C67 0.1(14) . . . . ?
C26 C3 C51 C67 1.5(15) . . . . ?
C28 N4 C68 C50 -0.8(13) . . . . ?
C28 N4 C68 C7 177.4(7) . . . . ?
C32 Si1 C8 C56 -110.6(8) . . . . ?
C32 Si1 C8 C72 67.9(8) . . . . ?
C32 Si1 C12 C38 -156.5(7) . . . . ?
C32 Si1 C12 C64 26.7(8) . . . . ?
C32 C57 C19 C5 -1.9(16) . . . . ?
C32 C59 C81 C5 -0.6(18) . . . . ?
C34 C4 C23 Br1 178.2(7) . . . . ?
C34 C4 C23 C29 0.1(15) . . . . ?
C34 C49 C61 C29 -0.4(17) . . . . ?
C36 N5 C10 C14 172.1(8) . . . . ?
C36 N5 C10 C22 49.7(11) . . . . ?
C36 C28 C54 C20 -175.4(10) . . . . ?
C38 C12 C64 C25 -0.6(13) . . . . ?
C40 N2 C15 C1 155.9(7) . . . . ?
C40 N2 C15 C69 32.7(11) . . . . ?
C40 C6 C11 C79 -179.5(9) . . . . ?
C42 N1 C6 C40 177.9(7) . . . . ?
C42 N1 C6 C11 -2.1(12) . . . . ?
C42 C70 C79 C11 -0.3(15) . . . . ?
C44 C78 C45 C48 -2.1(15) . . . . ?
C46 N6 C14 C10 125.6(8) . . . . ?
C46 N6 C14 C60 0.9(11) . . . . ?
C46 C42 C70 C79 175.5(9) . . . . ?
C48 C62 B1 C34 38.3(11) . . . . ?
C48 C62 B1 C76 159.6(8) . . . . ?
C48 C62 B1 C84 -79.1(10) . . . . ?
C48 C62 C9 C44 0.1(13) . . . . ?
C50 C20 C54 C28 0.6(17) . . . . ?
C50 C68 C7 N3 173.4(9) . . . . ?
C52 C58 C60 C14 -56.2(10) . . . . ?
C54 C20 C50 C68 -2.0(16) . . . . ?
C54 C28 C36 N5 175.0(10) . . . . ?
C56 C8 C72 C85 0.2(13) . . . . ?
C56 C77 C41 C85 0.8(17) . . . . ?
C62 C48 C45 C78 3.5(15) . . . . ?
C64 C12 C38 C17 1.4(13) . . . . ?
C66 C16 C24 Si2 -179.6(8) . . . . ?
C66 C16 C24 C2 -0.3(15) . . . . ?
C68 N4 C28 C36 175.7(8) . . . . ?
C68 N4 C28 C54 -0.7(13) . . . . ?
C70 C42 C46 N6 -178.4(8) . . . . ?
C72 C8 C56 C77 0.6(15) . . . . ?
C74 C84 B1 C34 -133.0(8) . . . . ?
C74 C84 B1 C62 -17.0(12) . . . . ?
C74 C84 B1 C76 107.2(10) . . . . ?
C74 C84 C13 C53 -2.0(14) . . . . ?
C76 C88 C55 C65 0.8(14) . . . . ?
C78 C44 C9 C62 1.1(15) . . . . ?
C84 C74 C63 C27 -1.2(15) . . . . ?
C84 C13 C53 C27 1.4(15) . . . . ?
B1 C34 C49 C61 -175.1(9) . . . . ?
B1 C62 C9 C44 -175.0(9) . . . . ?
B1 C76 C88 C55 -177.3(9) . . . . ?
B1 C76 C39 C73 176.3(9) . . . . ?
B1 C84 C13 C53 -179.7(9) . . . . ?
C88 C76 B1 C34 86.3(10) . . . . ?
C88 C76 B1 C62 -33.7(11) . . . . ?
C88 C76 B1 C84 -153.8(8) . . . . ?
C88 C76 C39 C73 0.1(13) . . . . ?
C88 C55 C65 C73 0.3(14) . . . . ?
C11 C6 C40 N2 176.8(8) . . . . ?
C45 C48 C62 B1 172.9(9) . . . . ?
C45 C48 C62 C9 -2.5(13) . . . . ?
C23 C4 C34 B1 175.2(8) . . . . ?
C23 C4 C34 C49 0.5(13) . . . . ?
C23 C29 C61 C49 1.0(17) . . . . ?
C47 C1 C15 N2 -179.9(7) . . . . ?
C47 C1 C15 C69 -54.6(10) . . . . ?
C3 C51 C67 C35 -1.9(16) . . . . ?
C49 C34 B1 C62 84.0(10) . . . . ?
C49 C34 B1 C76 -40.2(11) . . . . ?
C49 C34 B1 C84 -160.0(9) . . . . ?
C25 C82 C17 C38 1.3(16) . . . . ?
C51 C67 C35 C18 1.1(15) . . . . ?
C13 C84 B1 C34 44.6(12) . . . . ?
C13 C84 B1 C62 160.6(8) . . . . ?
C13 C84 B1 C76 -75.2(11) . . . . ?
C13 C53 C27 C63 -0.5(16) . . . . ?
C53 C27 C63 C74 0.4(16) . . . . ?
C55 C65 C73 C39 -1.2(15) . . . . ?
C7 N3 C1 C47 -3.7(11) . . . . ?
C7 N3 C1 C15 120.6(8) . . . . ?
C57 C32 C59 C81 1.6(16) . . . . ?
C57 C19 C5 C81 2.9(17) . . . . ?
C59 C32 C57 C19 -0.3(15) . . . . ?
C15 N2 C40 C6 -177.9(7) . . . . ?
C15 C1 C47 C31 56.4(10) . . . . ?
C31 C80 C69 C15 -56.8(11) . . . . ?
C63 C74 C84 B1 179.6(9) . . . . ?
C63 C74 C84 C13 1.9(13) . . . . ?
C2 C71 C37 C66 2(2) . . . . ?
C65 C73 C39 C76 1.0(15) . . . . ?
C17 C82 C25 C64 -0.5(16) . . . . ?
C69 C80 C31 C47 58.3(11) . . . . ?
C35 C18 C26 Si2 175.9(7) . . . . ?
C35 C18 C26 C3 -0.5(12) . . . . ?
C9 C44 C78 C45 -0.1(15) . . . . ?
C9 C62 B1 C34 -146.8(8) . . . . ?
C9 C62 B1 C76 -25.6(12) . . . . ?
C9 C62 B1 C84 95.7(10) . . . . ?
C19 C5 C81 C59 -1.7(17) . . . . ?
C77 C41 C85 C72 -0.1(17) . . . . ?
C39 C76 B1 C34 -89.6(10) . . . . ?
C39 C76 B1 C62 150.4(8) . . . . ?
C39 C76 B1 C84 30.3(12) . . . . ?
C39 C76 C88 C55 -1.0(13) . . . . ?
C21 C83 C75 C33 0.0 . . . . ?
C83 C21 C30 Si2 178.6(5) . . . . ?
C83 C21 C30 C86 0.0 . . . . ?
C83 C75 C33 C86 0.0 . . . . ?
C75 C33 C86 C30 0.0 . . . . ?
C33 C86 C30 Si2 -178.6(5) . . . . ?
C33 C86 C30 C21 0.0 . . . . ?
C30 Si2 C24 C16 -175.5(7) . . . . ?
C30 Si2 C24 C2 5.3(10) . . . . ?
C30 Si2 C26 C18 103.9(7) . . . . ?
C30 Si2 C26 C3 -79.7(7) . . . . ?
C30 C21 C83 C75 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_B
_database_code_depnum_ccdc_archive 'CCDC 2178777'
loop_
_audit_author_name
_audit_author_address
'Shuting Liu'
;Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-14 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_audit_creation_date             2022-04-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H30 Cl3 Dy N6'
_chemical_formula_sum            'C26 H30 Cl3 Dy N6'
_chemical_formula_weight         695.41
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   16.9787(7)
_cell_length_b                   17.1471(7)
_cell_length_c                   12.8817(5)
_cell_angle_alpha                90
_cell_angle_beta                 122.593(2)
_cell_angle_gamma                90
_cell_volume                     3159.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9919
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      25.053
_cell_measurement_theta_min      3.709
_shelx_estimated_absorpt_T_max   0.778
_shelx_estimated_absorpt_T_min   0.582
_exptl_absorpt_coefficient_mu    2.642
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5885
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0548 before and 0.0355 after correction.
The Ratio of minimum to maximum transmission is 0.7897.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1380
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14376
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.053
_diffrn_reflns_theta_max         25.053
_diffrn_reflns_theta_min         3.269
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2633
_reflns_number_total             2781
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.557
_refine_diff_density_min         -1.038
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2781
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0221
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0166P)²+16.3280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0556
_refine_ls_wR_factor_ref         0.0580
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C6(H6), C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C9(H9A,H9B), C11(H11A,H11B), C3(H3A,H3B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C8(H8), C13(H13), C2(H2), C5(H5)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy01 Dy 0.500000 0.65687(2) 0.250000 0.02002(8) Uani 1 2 d S T P . .
Cl1 Cl 0.500000 0.50183(6) 0.250000 0.0286(2) Uani 1 2 d S T P . .
Cl2 Cl 0.51422(7) 0.78374(6) 0.38349(10) 0.0494(3) Uani 1 1 d . . . . .
N1 N 0.44380(18) 0.61676(15) 0.4009(2) 0.0232(6) Uani 1 1 d . . . . .
N3 N 0.62650(18) 0.62606(15) 0.4816(2) 0.0219(5) Uani 1 1 d . . . . .
N2 N 0.67613(18) 0.67114(15) 0.3251(2) 0.0225(6) Uani 1 1 d . . . . .
C1 C 0.6030(2) 0.60505(18) 0.5615(3) 0.0235(6) Uani 1 1 d . . . . .
C4 C 0.5031(2) 0.60050(19) 0.5132(3) 0.0249(7) Uani 1 1 d . . . . .
H4 H 0.482471 0.585393 0.565683 0.030 Uiso 1 1 calc R U . . .
C6 C 0.7010(2) 0.68492(19) 0.2333(3) 0.0241(7) Uani 1 1 d . . . . .
H6 H 0.670189 0.734354 0.188586 0.029 Uiso 1 1 calc R U . . .
C8 C 0.6688(2) 0.5918(2) 0.6861(3) 0.0296(7) Uani 1 1 d . . . . .
H8 H 0.649353 0.576146 0.739677 0.036 Uiso 1 1 calc R U . . .
C10 C 0.7179(2) 0.63588(18) 0.5264(3) 0.0244(7) Uani 1 1 d . . . . .
C12 C 0.3437(2) 0.6171(2) 0.3582(3) 0.0267(7) Uani 1 1 d . . . . .
H12 H 0.315623 0.567709 0.311087 0.032 Uiso 1 1 calc R U . . .
C13 C 0.7408(2) 0.65901(18) 0.4364(3) 0.0241(7) Uani 1 1 d . . . . .
H13 H 0.804247 0.664964 0.461333 0.029 Uiso 1 1 calc R U . . .
C7 C 0.8054(2) 0.6913(2) 0.2834(3) 0.0317(8) Uani 1 1 d . . . . .
H7A H 0.831977 0.736814 0.339179 0.038 Uiso 1 1 calc R U . . .
H7B H 0.837895 0.643892 0.331508 0.038 Uiso 1 1 calc R U . . .
C2 C 0.7624(2) 0.6016(2) 0.7305(3) 0.0342(8) Uani 1 1 d . . . . .
H2 H 0.808536 0.592597 0.814957 0.041 Uiso 1 1 calc R U . . .
C9 C 0.8210(3) 0.7003(3) 0.1783(4) 0.0436(10) Uani 1 1 d . . . . .
H9A H 0.888732 0.705130 0.211887 0.052 Uiso 1 1 calc R U . . .
H9B H 0.789711 0.748312 0.131132 0.052 Uiso 1 1 calc R U . . .
C5 C 0.7875(2) 0.6248(2) 0.6496(3) 0.0312(7) Uani 1 1 d . . . . .
H5 H 0.851336 0.633042 0.677665 0.037 Uiso 1 1 calc R U . . .
C11 C 0.3227(3) 0.6208(3) 0.4597(3) 0.0382(9) Uani 1 1 d . . . . .
H11A H 0.345648 0.572534 0.509720 0.046 Uiso 1 1 calc R U . . .
H11B H 0.356487 0.665461 0.514629 0.046 Uiso 1 1 calc R U . . .
C3 C 0.7815(3) 0.6296(3) 0.0934(4) 0.0467(10) Uani 1 1 d . . . . .
H3A H 0.792086 0.635509 0.025398 0.056 Uiso 1 1 calc R U . . .
H3B H 0.814622 0.581980 0.140237 0.056 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy01 Cl1 2.6584(11) . ?
Dy01 Cl2 2.7020(11) 2_655 ?
Dy01 Cl2 2.7020(11) . ?
Dy01 N1 2.676(3) 2_655 ?
Dy01 N1 2.676(3) . ?
Dy01 N3 2.625(2) 2_655 ?
Dy01 N3 2.625(2) . ?
Dy01 N2 2.612(3) . ?
Dy01 N2 2.612(3) 2_655 ?
N1 C4 1.271(4) . ?
N1 C12 1.478(4) . ?
N3 C1 1.339(4) . ?
N3 C10 1.343(4) . ?
N2 C6 1.473(4) . ?
N2 C13 1.268(4) . ?
C1 C4 1.461(4) . ?
C1 C8 1.394(4) . ?
C4 H4 0.9500 . ?
C6 H6 1.0000 . ?
C6 C12 1.534(5) 2_655 ?
C6 C7 1.528(4) . ?
C8 H8 0.9500 . ?
C8 C2 1.379(5) . ?
C10 C13 1.463(5) . ?
C10 C5 1.390(5) . ?
C12 H12 1.0000 . ?
C12 C11 1.531(5) . ?
C13 H13 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C9 1.522(5) . ?
C2 H2 0.9500 . ?
C2 C5 1.381(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C3 1.526(6) . ?
C5 H5 0.9500 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C3 1.522(5) 2_655 ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Dy01 Cl2 143.62(2) . 2_655 ?
Cl1 Dy01 Cl2 143.62(2) . . ?
Cl1 Dy01 N1 75.11(6) . 2_655 ?
Cl1 Dy01 N1 75.11(6) . . ?
Cl2 Dy01 Cl2 72.75(5) 2_655 . ?
N1 Dy01 Cl2 71.89(6) 2_655 2_655 ?
N1 Dy01 Cl2 136.44(6) 2_655 . ?
N1 Dy01 Cl2 136.44(6) . 2_655 ?
N1 Dy01 Cl2 71.89(6) . . ?
N1 Dy01 N1 150.22(11) 2_655 . ?
N3 Dy01 Cl1 78.39(5) . . ?
N3 Dy01 Cl1 78.39(5) 2_655 . ?
N3 Dy01 Cl2 72.59(6) 2_655 2_655 ?
N3 Dy01 Cl2 72.59(6) . . ?
N3 Dy01 Cl2 128.55(6) . 2_655 ?
N3 Dy01 Cl2 128.55(6) 2_655 . ?
N3 Dy01 N1 61.08(8) . . ?
N3 Dy01 N1 112.35(8) 2_655 . ?
N3 Dy01 N1 112.35(8) . 2_655 ?
N3 Dy01 N1 61.08(8) 2_655 2_655 ?
N3 Dy01 N3 156.78(11) . 2_655 ?
N2 Dy01 Cl1 95.38(6) . . ?
N2 Dy01 Cl1 95.38(6) 2_655 . ?
N2 Dy01 Cl2 89.82(6) 2_655 2_655 ?
N2 Dy01 Cl2 81.50(6) 2_655 . ?
N2 Dy01 Cl2 81.50(6) . 2_655 ?
N2 Dy01 Cl2 89.82(6) . . ?
N2 Dy01 N1 60.52(8) . 2_655 ?
N2 Dy01 N1 60.52(8) 2_655 . ?
N2 Dy01 N1 122.70(8) . . ?
N2 Dy01 N1 122.70(8) 2_655 2_655 ?
N2 Dy01 N3 120.83(8) . 2_655 ?
N2 Dy01 N3 120.83(8) 2_655 . ?
N2 Dy01 N3 61.65(8) . . ?
N2 Dy01 N3 61.65(8) 2_655 2_655 ?
N2 Dy01 N2 169.25(11) . 2_655 ?
C4 N1 Dy01 120.6(2) . . ?
C4 N1 C12 118.2(3) . . ?
C12 N1 Dy01 121.14(19) . . ?
C1 N3 Dy01 121.9(2) . . ?
C1 N3 C10 117.2(3) . . ?
C10 N3 Dy01 120.8(2) . . ?
C6 N2 Dy01 118.96(18) . . ?
C13 N2 Dy01 121.6(2) . . ?
C13 N2 C6 119.1(3) . . ?
N3 C1 C4 116.4(3) . . ?
N3 C1 C8 122.9(3) . . ?
C8 C1 C4 120.6(3) . . ?
N1 C4 C1 120.0(3) . . ?
N1 C4 H4 120.0 . . ?
C1 C4 H4 120.0 . . ?
N2 C6 H6 108.1 . . ?
N2 C6 C12 104.9(2) . 2_655 ?
N2 C6 C7 116.2(3) . . ?
C12 C6 H6 108.1 2_655 . ?
C7 C6 H6 108.1 . . ?
C7 C6 C12 111.1(3) . 2_655 ?
C1 C8 H8 120.4 . . ?
C2 C8 C1 119.2(3) . . ?
C2 C8 H8 120.4 . . ?
N3 C10 C13 115.6(3) . . ?
N3 C10 C5 123.3(3) . . ?
C5 C10 C13 121.1(3) . . ?
N1 C12 C6 106.4(3) . 2_655 ?
N1 C12 H12 107.4 . . ?
N1 C12 C11 115.6(3) . . ?
C6 C12 H12 107.4 2_655 . ?
C11 C12 C6 112.3(3) . 2_655 ?
C11 C12 H12 107.4 . . ?
N2 C13 C10 120.2(3) . . ?
N2 C13 H13 119.9 . . ?
C10 C13 H13 119.9 . . ?
C6 C7 H7A 109.6 . . ?
C6 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
C9 C7 C6 110.5(3) . . ?
C9 C7 H7A 109.6 . . ?
C9 C7 H7B 109.6 . . ?
C8 C2 H2 120.7 . . ?
C8 C2 C5 118.5(3) . . ?
C5 C2 H2 120.7 . . ?
C7 C9 H9A 109.7 . . ?
C7 C9 H9B 109.7 . . ?
C7 C9 C3 109.6(3) . . ?
H9A C9 H9B 108.2 . . ?
C3 C9 H9A 109.7 . . ?
C3 C9 H9B 109.7 . . ?
C10 C5 H5 120.6 . . ?
C2 C5 C10 118.8(3) . . ?
C2 C5 H5 120.6 . . ?
C12 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C3 C11 C12 111.6(3) 2_655 . ?
C3 C11 H11A 109.3 2_655 . ?
C3 C11 H11B 109.3 2_655 . ?
C9 C3 H3A 109.5 . . ?
C9 C3 H3B 109.5 . . ?
C11 C3 C9 110.9(3) 2_655 . ?
C11 C3 H3A 109.5 2_655 . ?
C11 C3 H3B 109.5 2_655 . ?
H3A C3 H3B 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy01 N1 C4 C1 1.2(4) . . . . ?
Dy01 N1 C12 C6 -34.5(3) . . . 2_655 ?
Dy01 N1 C12 C11 -159.9(2) . . . . ?
Dy01 N3 C1 C4 -0.3(4) . . . . ?
Dy01 N3 C1 C8 -177.1(2) . . . . ?
Dy01 N3 C10 C13 -4.1(4) . . . . ?
Dy01 N3 C10 C5 176.2(3) . . . . ?
Dy01 N2 C6 C12 -55.9(3) . . . 2_655 ?
Dy01 N2 C6 C7 -179.0(2) . . . . ?
Dy01 N2 C13 C10 0.4(4) . . . . ?
N1 C12 C11 C3 173.9(3) . . . 2_655 ?
N3 C1 C4 N1 -0.6(5) . . . . ?
N3 C1 C8 C2 1.0(5) . . . . ?
N3 C10 C13 N2 2.4(4) . . . . ?
N3 C10 C5 C2 0.8(5) . . . . ?
N2 C6 C7 C9 176.5(3) . . . . ?
C1 N3 C10 C13 -179.9(3) . . . . ?
C1 N3 C10 C5 0.5(5) . . . . ?
C1 C8 C2 C5 0.4(5) . . . . ?
C4 N1 C12 C6 142.2(3) . . . 2_655 ?
C4 N1 C12 C11 16.8(4) . . . . ?
C4 C1 C8 C2 -175.7(3) . . . . ?
C6 N2 C13 C10 -172.6(3) . . . . ?
C6 C12 C11 C3 51.6(4) 2_655 . . 2_655 ?
C6 C7 C9 C3 -60.2(4) . . . . ?
C8 C1 C4 N1 176.3(3) . . . . ?
C8 C2 C5 C10 -1.2(5) . . . . ?
C10 N3 C1 C4 175.4(3) . . . . ?
C10 N3 C1 C8 -1.4(5) . . . . ?
C12 N1 C4 C1 -175.5(3) . . . . ?
C12 C6 C7 C9 56.6(4) 2_655 . . . ?
C13 N2 C6 C12 117.3(3) . . . 2_655 ?
C13 N2 C6 C7 -5.8(4) . . . . ?
C13 C10 C5 C2 -178.8(3) . . . . ?
C7 C9 C3 C11 59.4(5) . . . 2_655 ?
C5 C10 C13 N2 -177.9(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 -0.030 388.4 39.8 '4 H2O'
2 0.500 0.000 -0.248 388.4 39.8 '4 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2178778'
loop_
_audit_author_name
_audit_author_address
'shuting Liu'
;Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_audit_creation_date             2022-04-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H48 Dy N6 O2 Si2, Cl O4, C2 H3 N'
_chemical_formula_sum            'C68 H51 Cl Dy N7 O6 Si2'
_chemical_formula_weight         1316.28
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.3908(4)
_cell_length_b                   14.8952(4)
_cell_length_c                   15.8563(4)
_cell_angle_alpha                78.2080(10)
_cell_angle_beta                 79.0660(10)
_cell_angle_gamma                69.7140(10)
_cell_volume                     3094.52(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9855
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      26.021
_cell_measurement_theta_min      2.432
_shelx_estimated_absorpt_T_max   0.974
_shelx_estimated_absorpt_T_min   0.747
_exptl_absorpt_coefficient_mu    1.347
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6551
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0778 before and 0.0487 after correction.
The Ratio of minimum to maximum transmission is 0.8790.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1334
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            46052
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.038
_diffrn_reflns_theta_min         2.124
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10592
_reflns_number_total             12166
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.103
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         12166
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0321
_refine_ls_restrained_S_all      1.100
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0254P)²+4.9619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0769
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O3) \\sim Ueq, Uanis(O4) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C67) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C18(H18), C20(H20), C24(H24), C26(H26), C34(H34), C40(H40), C46(H46),
 C50(H50), C52(H52), C54(H54), C58(H58), C60(H60), C62(H62), C64(H64), C66(H66),
  C68(H68), C17(H17), C35(H35), C9(H9), C37(H37), C19(H19), C39(H39), C5(H5),
 C41(H41), C21(H21), C43(H43), C11(H11), C45(H45), C23(H23), C47(H47), C3(H3),
 C49(H49), C25(H25), C51(H51), C13(H13), C53(H53), C27(H27), C55(H55), C7(H7),
 C57(H57), C29(H29), C59(H59), C15(H15), C61(H61), C31(H31), C63(H63), C2(H2),
 C65(H65)
3.b Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.40299(2) 0.16418(2) 0.74053(2) 0.02244(5) Uani 1 1 d . . . . .
Si2 Si 0.17076(6) 0.11059(6) 0.74932(5) 0.02395(18) Uani 1 1 d . . . . .
Si1 Si 0.60424(6) 0.27218(6) 0.70837(6) 0.02628(19) Uani 1 1 d . . . . .
Cl1 Cl 0.86042(9) -0.26468(15) 0.76720(10) 0.0986(6) Uani 1 1 d . . . . .
O1 O 0.51998(16) 0.22091(16) 0.74357(14) 0.0295(5) Uani 1 1 d . . . . .
O2 O 0.28150(15) 0.11730(15) 0.73039(13) 0.0266(5) Uani 1 1 d . . . . .
N3 N 0.28356(19) 0.34980(18) 0.71762(17) 0.0263(6) Uani 1 1 d . . . . .
N1 N 0.39996(18) 0.05650(18) 0.89775(16) 0.0244(5) Uani 1 1 d . . . . .
N6 N 0.53219(19) -0.01560(18) 0.76633(16) 0.0258(6) Uani 1 1 d . . . . .
N2 N 0.29631(19) 0.24861(19) 0.87757(17) 0.0269(6) Uani 1 1 d . . . . .
N5 N 0.52691(19) 0.09027(18) 0.60748(16) 0.0256(6) Uani 1 1 d . . . . .
N4 N 0.37809(19) 0.25557(19) 0.58097(17) 0.0273(6) Uani 1 1 d . . . . .
C1 C 0.2345(2) 0.3995(2) 0.7850(2) 0.0287(7) Uani 1 1 d . . . . .
C4 C 0.2416(2) 0.3488(2) 0.8704(2) 0.0302(7) Uani 1 1 d . . . . .
C6 C 0.0987(2) 0.1677(2) 0.8476(2) 0.0276(7) Uani 1 1 d . . . . .
C8 C 0.4300(2) 0.2112(2) 0.5070(2) 0.0274(7) Uani 1 1 d . . . . .
C10 C 0.3325(2) 0.0923(2) 0.9625(2) 0.0279(7) Uani 1 1 d . . . . .
C12 C 0.1004(2) 0.1771(2) 0.6544(2) 0.0283(7) Uani 1 1 d . . . . .
C14 C 0.5140(2) 0.1284(2) 0.5237(2) 0.0271(7) Uani 1 1 d . . . . .
C16 C 0.2789(2) 0.4002(2) 0.6382(2) 0.0305(7) Uani 1 1 d . . . . .
C18 C 0.6099(2) -0.0378(2) 0.7105(2) 0.0302(7) Uani 1 1 d . . . . .
H18 H 0.668937 -0.087383 0.726585 0.036 Uiso 1 1 calc R U . . .
C20 C 0.2769(2) 0.1949(2) 0.9475(2) 0.0297(7) Uani 1 1 d . . . . .
H20 H 0.225087 0.222572 0.990663 0.036 Uiso 1 1 calc R U . . .
C22 C 0.6341(2) 0.2850(2) 0.5866(2) 0.0304(7) Uani 1 1 d . . . . .
C24 C 0.3341(2) 0.3466(2) 0.5668(2) 0.0318(7) Uani 1 1 d . . . . .
H24 H 0.337238 0.380183 0.509084 0.038 Uiso 1 1 calc R U . . .
C26 C 0.7727(2) 0.1044(2) 0.7501(2) 0.0330(8) Uani 1 1 d . . . . .
H26 H 0.755125 0.077557 0.708375 0.040 Uiso 1 1 calc R U . . .
C28 C 0.1775(2) 0.4996(2) 0.7722(2) 0.0340(8) Uani 1 1 d . . . . .
C30 C 0.5792(3) 0.0865(2) 0.4519(2) 0.0354(8) Uani 1 1 d . . . . .
C32 C 0.5272(2) -0.0791(2) 0.8451(2) 0.0266(7) Uani 1 1 d . . . . .
C34 C 0.3151(3) 0.0382(3) 1.0440(2) 0.0329(8) Uani 1 1 d . . . . .
H34 H 0.265953 0.067858 1.087859 0.040 Uiso 1 1 calc R U . . .
C36 C 0.4540(2) -0.0387(2) 0.9129(2) 0.0259(7) Uani 1 1 d . . . . .
C38 C 0.5579(3) 0.3975(2) 0.7383(2) 0.0313(7) Uani 1 1 d . . . . .
C40 C 0.1505(3) 0.2067(2) 0.5754(2) 0.0325(7) Uani 1 1 d . . . . .
H40 H 0.220506 0.194319 0.570538 0.039 Uiso 1 1 calc R U . . .
C42 C 0.1777(2) -0.0208(2) 0.7729(2) 0.0287(7) Uani 1 1 d . . . . .
C44 C 0.4410(2) -0.0993(2) 0.9930(2) 0.0312(7) Uani 1 1 d . . . . .
C46 C 0.0848(3) 0.1160(2) 0.9303(2) 0.0327(8) Uani 1 1 d . . . . .
H46 H 0.110162 0.047271 0.938309 0.039 Uiso 1 1 calc R U . . .
C48 C 0.7198(2) 0.2006(2) 0.7617(2) 0.0297(7) Uani 1 1 d . . . . .
C50 C 0.7151(3) 0.2206(3) 0.5426(2) 0.0385(8) Uani 1 1 d . . . . .
H50 H 0.761240 0.169691 0.575164 0.046 Uiso 1 1 calc R U . . .
C52 C 0.3692(3) -0.0571(3) 1.0593(2) 0.0341(8) Uani 1 1 d . . . . .
H52 H 0.358756 -0.094701 1.114085 0.041 Uiso 1 1 calc R U . . .
O5 O 0.7896(3) -0.2733(3) 0.7219(2) 0.0797(11) Uani 1 1 d . . . . .
C54 C 0.1181(3) -0.0590(3) 0.7413(3) 0.0414(9) Uani 1 1 d . . . . .
H54 H 0.071245 -0.017774 0.703788 0.050 Uiso 1 1 calc R U . . .
C56 C 0.6072(2) 0.0137(2) 0.6218(2) 0.0307(7) Uani 1 1 d . . . . .
C58 C 0.8497(3) 0.0472(3) 0.7976(2) 0.0398(9) Uani 1 1 d . . . . .
H58 H 0.884361 -0.017644 0.787908 0.048 Uiso 1 1 calc R U . . .
C60 C 0.4054(3) 0.2431(3) 0.4243(2) 0.0356(8) Uani 1 1 d . . . . .
H60 H 0.346006 0.295378 0.413918 0.043 Uiso 1 1 calc R U . . .
C62 C 0.5825(3) -0.1761(2) 0.8572(2) 0.0333(8) Uani 1 1 d . . . . .
H62 H 0.630837 -0.203234 0.811720 0.040 Uiso 1 1 calc R U . . .
C64 C 0.4647(3) 0.4308(3) 0.7864(3) 0.0432(9) Uani 1 1 d . . . . .
H64 H 0.424782 0.389500 0.804409 0.052 Uiso 1 1 calc R U . . .
C66 C 0.4988(3) -0.1981(3) 1.0037(2) 0.0373(8) Uani 1 1 d . . . . .
H66 H 0.490044 -0.238749 1.057126 0.045 Uiso 1 1 calc R U . . .
C68 C 0.5700(3) 0.3592(3) 0.5347(2) 0.0382(8) Uani 1 1 d . . . . .
H68 H 0.515002 0.405614 0.561860 0.046 Uiso 1 1 calc R U . . .
C17 C 0.0597(3) 0.2683(2) 0.8396(2) 0.0364(8) Uani 1 1 d . . . . .
H17 H 0.067317 0.305930 0.784196 0.044 Uiso 1 1 calc R U . . .
C35 C 0.1749(3) 0.5486(3) 0.6867(2) 0.0404(9) Uani 1 1 d . . . . .
H35 H 0.137629 0.615426 0.675638 0.049 Uiso 1 1 calc R U . . .
C9 C 0.7491(3) 0.2361(3) 0.8239(2) 0.0377(8) Uani 1 1 d . . . . .
H9 H 0.715586 0.301099 0.833468 0.045 Uiso 1 1 calc R U . . .
C37 C 0.2262(3) 0.4997(3) 0.6198(2) 0.0412(9) Uani 1 1 d . . . . .
H37 H 0.226556 0.532119 0.561609 0.049 Uiso 1 1 calc R U . . .
C19 C 0.6141(3) 0.4604(3) 0.7139(2) 0.0404(9) Uani 1 1 d . . . . .
H19 H 0.677413 0.440272 0.679799 0.049 Uiso 1 1 calc R U . . .
C39 C -0.0027(3) 0.2001(3) 0.6596(2) 0.0392(8) Uani 1 1 d . . . . .
H39 H -0.039420 0.182422 0.713072 0.047 Uiso 1 1 calc R U . . .
C5 C 0.5538(3) 0.1240(3) 0.3675(2) 0.0433(9) Uani 1 1 d . . . . .
H5 H 0.596749 0.097273 0.319215 0.052 Uiso 1 1 calc R U . . .
C41 C 0.8758(3) 0.0845(3) 0.8588(3) 0.0444(10) Uani 1 1 d . . . . .
H41 H 0.928170 0.045233 0.891845 0.053 Uiso 1 1 calc R U . . .
C21 C 0.0350(3) 0.1624(3) 1.0012(2) 0.0446(9) Uani 1 1 d . . . . .
H21 H 0.026356 0.125377 1.056742 0.054 Uiso 1 1 calc R U . . .
C43 C 0.5845(3) 0.3670(3) 0.4452(2) 0.0454(9) Uani 1 1 d . . . . .
H43 H 0.538940 0.417689 0.411935 0.054 Uiso 1 1 calc R U . . .
C11 C 0.2456(3) -0.0847(3) 0.8276(3) 0.0420(9) Uani 1 1 d . . . . .
H11 H 0.287932 -0.061030 0.849992 0.050 Uiso 1 1 calc R U . . .
C45 C 0.6654(3) 0.0091(3) 0.4708(3) 0.0470(10) Uani 1 1 d . . . . .
H45 H 0.713132 -0.018158 0.424936 0.056 Uiso 1 1 calc R U . . .
C23 C 0.5676(3) -0.2350(3) 0.9369(2) 0.0391(8) Uani 1 1 d . . . . .
H23 H 0.606066 -0.301660 0.944300 0.047 Uiso 1 1 calc R U . . .
C47 C 0.1255(3) -0.1562(3) 0.7634(3) 0.0549(12) Uani 1 1 d . . . . .
H47 H 0.083849 -0.180884 0.741176 0.066 Uiso 1 1 calc R U . . .
C3 C 0.4682(3) 0.1984(3) 0.3547(2) 0.0429(9) Uani 1 1 d . . . . .
H3 H 0.450253 0.220720 0.297615 0.051 Uiso 1 1 calc R U . . .
C49 C 0.8261(3) 0.1787(3) 0.8722(3) 0.0463(10) Uani 1 1 d . . . . .
H49 H 0.844176 0.204560 0.914307 0.056 Uiso 1 1 calc R U . . .
C25 C 0.6805(3) -0.0268(3) 0.5550(2) 0.0431(9) Uani 1 1 d . . . . .
H25 H 0.739375 -0.078210 0.568582 0.052 Uiso 1 1 calc R U . . .
C51 C 0.1977(3) 0.3976(3) 0.9399(2) 0.0400(9) Uani 1 1 d . . . . .
H51 H 0.206223 0.364851 0.997364 0.048 Uiso 1 1 calc R U . . .
C13 C 0.1284(3) 0.5453(3) 0.8456(2) 0.0425(9) Uani 1 1 d . . . . .
H13 H 0.086873 0.610957 0.838184 0.051 Uiso 1 1 calc R U . . .
C53 C 0.0101(3) 0.3151(3) 0.9105(3) 0.0486(10) Uani 1 1 d . . . . .
H53 H -0.015480 0.383796 0.903370 0.058 Uiso 1 1 calc R U . . .
C27 C 0.7299(3) 0.2292(3) 0.4524(2) 0.0484(10) Uani 1 1 d . . . . .
H27 H 0.785706 0.184524 0.424212 0.058 Uiso 1 1 calc R U . . .
O6 O 0.9562(3) -0.2958(4) 0.7256(3) 0.1182(18) Uani 1 1 d . . . . .
C55 C 0.6644(3) 0.3018(3) 0.4039(2) 0.0477(10) Uani 1 1 d . . . . .
H55 H 0.674097 0.307142 0.342394 0.057 Uiso 1 1 calc R U . . .
C7 C -0.0532(3) 0.2483(3) 0.5884(3) 0.0524(11) Uani 1 1 d . . . . .
H7 H -0.123617 0.263217 0.593339 0.063 Uiso 1 1 calc R U . . .
C57 C 0.4291(3) 0.5230(3) 0.8087(3) 0.0540(11) Uani 1 1 d . . . . .
H57 H 0.364589 0.544760 0.840593 0.065 Uiso 1 1 calc R U . . .
C29 C -0.0003(3) 0.2745(3) 0.5102(3) 0.0529(11) Uani 1 1 d . . . . .
H29 H -0.034251 0.306692 0.461143 0.063 Uiso 1 1 calc R U . . .
C59 C 0.5798(4) 0.5512(3) 0.7384(3) 0.0551(11) Uani 1 1 d . . . . .
H59 H 0.620556 0.591895 0.723080 0.066 Uiso 1 1 calc R U . . .
N7 N -0.1885(3) 0.5314(3) 0.5817(3) 0.0758(12) Uani 1 1 d . . . . .
C15 C 0.1936(4) -0.2168(3) 0.8177(3) 0.0618(13) Uani 1 1 d . . . . .
H15 H 0.199188 -0.283423 0.832585 0.074 Uiso 1 1 calc R U . . .
C61 C 0.4863(4) 0.5829(3) 0.7851(3) 0.0583(12) Uani 1 1 d . . . . .
H61 H 0.461822 0.646048 0.800777 0.070 Uiso 1 1 calc R U . . .
C31 C -0.0018(3) 0.2614(3) 0.9914(3) 0.0508(10) Uani 1 1 d . . . . .
H31 H -0.035377 0.293033 1.040131 0.061 Uiso 1 1 calc R U . . .
C63 C 0.2529(3) -0.1814(3) 0.8499(3) 0.0559(12) Uani 1 1 d . . . . .
H63 H 0.299167 -0.223087 0.887773 0.067 Uiso 1 1 calc R U . . .
C2 C 0.1405(3) 0.4958(3) 0.9262(3) 0.0485(10) Uani 1 1 d . . . . .
H2 H 0.109446 0.528224 0.974927 0.058 Uiso 1 1 calc R U . . .
C65 C 0.1012(3) 0.2540(3) 0.5035(2) 0.0460(10) Uani 1 1 d . . . . .
H65 H 0.137651 0.272022 0.450034 0.055 Uiso 1 1 calc R U . . .
C33 C -0.1252(5) 0.5095(4) 0.6146(5) 0.088(2) Uani 1 1 d . . . . .
O4 O 0.8333(5) -0.1742(7) 0.7841(8) 0.288(5) Uani 1 1 d . U . . .
O3 O 0.8548(6) -0.3161(10) 0.8496(4) 0.278(5) Uani 1 1 d . U . . .
C67 C -0.0299(8) 0.4792(7) 0.6461(8) 0.223(6) Uani 1 1 d . U . . .
H67A H -0.040237 0.486296 0.707608 0.335 Uiso 1 1 calc R U . . .
H67B H 0.009842 0.519352 0.612630 0.335 Uiso 1 1 calc R U . . .
H67C H 0.005447 0.411195 0.639586 0.335 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.141(2) . ?
Dy1 O2 2.138(2) . ?
Dy1 N3 2.695(3) . ?
Dy1 N1 2.676(2) . ?
Dy1 N6 2.680(2) . ?
Dy1 N2 2.678(3) . ?
Dy1 N5 2.646(2) . ?
Dy1 N4 2.642(3) . ?
Si2 O2 1.599(2) . ?
Si2 C6 1.882(3) . ?
Si2 C12 1.883(3) . ?
Si2 C42 1.887(3) . ?
Si1 O1 1.605(2) . ?
Si1 C22 1.882(3) . ?
Si1 C38 1.880(3) . ?
Si1 C48 1.884(3) . ?
Cl1 O5 1.406(4) . ?
Cl1 O6 1.374(4) . ?
Cl1 O4 1.335(7) . ?
Cl1 O3 1.377(7) . ?
N3 C1 1.365(4) . ?
N3 C16 1.328(4) . ?
N1 C10 1.330(4) . ?
N1 C36 1.357(4) . ?
N6 C18 1.277(4) . ?
N6 C32 1.411(4) . ?
N2 C4 1.418(4) . ?
N2 C20 1.273(4) . ?
N5 C14 1.354(4) . ?
N5 C56 1.330(4) . ?
N4 C8 1.419(4) . ?
N4 C24 1.275(4) . ?
C1 C4 1.412(5) . ?
C1 C28 1.425(4) . ?
C4 C51 1.374(5) . ?
C6 C46 1.397(5) . ?
C6 C17 1.394(5) . ?
C8 C14 1.417(4) . ?
C8 C60 1.369(4) . ?
C10 C20 1.453(4) . ?
C10 C34 1.404(4) . ?
C12 C40 1.391(5) . ?
C12 C39 1.391(5) . ?
C14 C30 1.431(4) . ?
C16 C24 1.462(5) . ?
C16 C37 1.409(5) . ?
C18 H18 0.9500 . ?
C18 C56 1.458(5) . ?
C20 H20 0.9500 . ?
C22 C50 1.399(5) . ?
C22 C68 1.398(5) . ?
C24 H24 0.9500 . ?
C26 H26 0.9500 . ?
C26 C48 1.402(5) . ?
C26 C58 1.386(5) . ?
C28 C35 1.403(5) . ?
C28 C13 1.413(5) . ?
C30 C5 1.405(5) . ?
C30 C45 1.401(5) . ?
C32 C36 1.422(4) . ?
C32 C62 1.380(4) . ?
C34 H34 0.9500 . ?
C34 C52 1.358(5) . ?
C36 C44 1.421(4) . ?
C38 C64 1.390(5) . ?
C38 C19 1.392(5) . ?
C40 H40 0.9500 . ?
C40 C65 1.389(5) . ?
C42 C54 1.388(5) . ?
C42 C11 1.397(5) . ?
C44 C52 1.405(5) . ?
C44 C66 1.410(5) . ?
C46 H46 0.9500 . ?
C46 C21 1.386(5) . ?
C48 C9 1.398(5) . ?
C50 H50 0.9500 . ?
C50 C27 1.392(5) . ?
C52 H52 0.9500 . ?
C54 H54 0.9500 . ?
C54 C47 1.389(5) . ?
C56 C25 1.412(5) . ?
C58 H58 0.9500 . ?
C58 C41 1.378(6) . ?
C60 H60 0.9500 . ?
C60 C3 1.408(5) . ?
C62 H62 0.9500 . ?
C62 C23 1.410(5) . ?
C64 H64 0.9500 . ?
C64 C57 1.383(5) . ?
C66 H66 0.9500 . ?
C66 C23 1.366(5) . ?
C68 H68 0.9500 . ?
C68 C43 1.382(5) . ?
C17 H17 0.9500 . ?
C17 C53 1.389(5) . ?
C35 H35 0.9500 . ?
C35 C37 1.358(5) . ?
C9 H9 0.9500 . ?
C9 C49 1.394(5) . ?
C37 H37 0.9500 . ?
C19 H19 0.9500 . ?
C19 C59 1.379(5) . ?
C39 H39 0.9500 . ?
C39 C7 1.393(5) . ?
C5 H5 0.9500 . ?
C5 C3 1.358(6) . ?
C41 H41 0.9500 . ?
C41 C49 1.376(6) . ?
C21 H21 0.9500 . ?
C21 C31 1.369(5) . ?
C43 H43 0.9500 . ?
C43 C55 1.376(6) . ?
C11 H11 0.9500 . ?
C11 C63 1.383(5) . ?
C45 H45 0.9500 . ?
C45 C25 1.362(5) . ?
C23 H23 0.9500 . ?
C47 H47 0.9500 . ?
C47 C15 1.381(7) . ?
C3 H3 0.9500 . ?
C49 H49 0.9500 . ?
C25 H25 0.9500 . ?
C51 H51 0.9500 . ?
C51 C2 1.402(5) . ?
C13 H13 0.9500 . ?
C13 C2 1.348(5) . ?
C53 H53 0.9500 . ?
C53 C31 1.381(6) . ?
C27 H27 0.9500 . ?
C27 C55 1.369(6) . ?
C55 H55 0.9500 . ?
C7 H7 0.9500 . ?
C7 C29 1.386(6) . ?
C57 H57 0.9500 . ?
C57 C61 1.368(6) . ?
C29 H29 0.9500 . ?
C29 C65 1.373(6) . ?
C59 H59 0.9500 . ?
C59 C61 1.381(6) . ?
N7 C33 1.056(6) . ?
C15 H15 0.9500 . ?
C15 C63 1.362(7) . ?
C61 H61 0.9500 . ?
C31 H31 0.9500 . ?
C63 H63 0.9500 . ?
C2 H2 0.9500 . ?
C65 H65 0.9500 . ?
C33 C67 1.439(9) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N3 86.34(8) . . ?
O1 Dy1 N1 100.53(8) . . ?
O1 Dy1 N6 89.40(8) . . ?
O1 Dy1 N2 90.66(8) . . ?
O1 Dy1 N5 81.70(8) . . ?
O1 Dy1 N4 91.22(8) . . ?
O2 Dy1 O1 175.53(8) . . ?
O2 Dy1 N3 89.93(8) . . ?
O2 Dy1 N1 83.47(8) . . ?
O2 Dy1 N6 94.36(8) . . ?
O2 Dy1 N2 89.59(8) . . ?
O2 Dy1 N5 98.05(8) . . ?
O2 Dy1 N4 84.81(8) . . ?
N1 Dy1 N3 120.25(8) . . ?
N1 Dy1 N6 59.71(8) . . ?
N1 Dy1 N2 60.90(8) . . ?
N6 Dy1 N3 175.65(8) . . ?
N2 Dy1 N3 59.74(8) . . ?
N2 Dy1 N6 119.49(8) . . ?
N5 Dy1 N3 119.60(8) . . ?
N5 Dy1 N1 120.13(8) . . ?
N5 Dy1 N6 60.50(8) . . ?
N5 Dy1 N2 172.36(8) . . ?
N4 Dy1 N3 60.90(8) . . ?
N4 Dy1 N1 168.22(8) . . ?
N4 Dy1 N6 120.16(8) . . ?
N4 Dy1 N2 120.33(8) . . ?
N4 Dy1 N5 60.45(8) . . ?
O2 Si2 C6 111.27(13) . . ?
O2 Si2 C12 110.22(13) . . ?
O2 Si2 C42 109.21(13) . . ?
C6 Si2 C12 107.33(14) . . ?
C6 Si2 C42 107.28(14) . . ?
C12 Si2 C42 111.49(15) . . ?
O1 Si1 C22 111.88(13) . . ?
O1 Si1 C38 109.40(14) . . ?
O1 Si1 C48 109.21(13) . . ?
C22 Si1 C48 110.77(15) . . ?
C38 Si1 C22 107.19(15) . . ?
C38 Si1 C48 108.31(15) . . ?
O6 Cl1 O5 112.6(3) . . ?
O6 Cl1 O3 109.8(4) . . ?
O4 Cl1 O5 109.6(4) . . ?
O4 Cl1 O6 113.1(5) . . ?
O4 Cl1 O3 101.5(6) . . ?
O3 Cl1 O5 109.5(4) . . ?
Si1 O1 Dy1 158.84(14) . . ?
Si2 O2 Dy1 157.77(13) . . ?
C1 N3 Dy1 123.0(2) . . ?
C16 N3 Dy1 119.9(2) . . ?
C16 N3 C1 116.7(3) . . ?
C10 N1 Dy1 119.4(2) . . ?
C10 N1 C36 116.6(3) . . ?
C36 N1 Dy1 123.29(19) . . ?
C18 N6 Dy1 117.5(2) . . ?
C18 N6 C32 118.8(3) . . ?
C32 N6 Dy1 122.65(19) . . ?
C4 N2 Dy1 122.5(2) . . ?
C20 N2 Dy1 118.5(2) . . ?
C20 N2 C4 117.3(3) . . ?
C14 N5 Dy1 122.9(2) . . ?
C56 N5 Dy1 119.8(2) . . ?
C56 N5 C14 117.3(3) . . ?
C8 N4 Dy1 121.75(19) . . ?
C24 N4 Dy1 120.9(2) . . ?
C24 N4 C8 116.1(3) . . ?
N3 C1 C4 118.0(3) . . ?
N3 C1 C28 122.5(3) . . ?
C4 C1 C28 119.4(3) . . ?
C1 C4 N2 116.0(3) . . ?
C51 C4 N2 124.4(3) . . ?
C51 C4 C1 119.6(3) . . ?
C46 C6 Si2 124.3(2) . . ?
C17 C6 Si2 119.0(2) . . ?
C17 C6 C46 116.7(3) . . ?
C14 C8 N4 114.6(3) . . ?
C60 C8 N4 125.2(3) . . ?
C60 C8 C14 120.2(3) . . ?
N1 C10 C20 116.7(3) . . ?
N1 C10 C34 124.2(3) . . ?
C34 C10 C20 119.1(3) . . ?
C40 C12 Si2 120.5(2) . . ?
C40 C12 C39 117.1(3) . . ?
C39 C12 Si2 122.5(3) . . ?
N5 C14 C8 118.3(3) . . ?
N5 C14 C30 122.8(3) . . ?
C8 C14 C30 118.9(3) . . ?
N3 C16 C24 116.1(3) . . ?
N3 C16 C37 124.4(3) . . ?
C37 C16 C24 119.5(3) . . ?
N6 C18 H18 120.3 . . ?
N6 C18 C56 119.4(3) . . ?
C56 C18 H18 120.3 . . ?
N2 C20 C10 121.3(3) . . ?
N2 C20 H20 119.4 . . ?
C10 C20 H20 119.4 . . ?
C50 C22 Si1 123.8(3) . . ?
C68 C22 Si1 119.8(3) . . ?
C68 C22 C50 116.3(3) . . ?
N4 C24 C16 120.9(3) . . ?
N4 C24 H24 119.6 . . ?
C16 C24 H24 119.6 . . ?
C48 C26 H26 119.0 . . ?
C58 C26 H26 119.0 . . ?
C58 C26 C48 122.1(3) . . ?
C35 C28 C1 118.0(3) . . ?
C35 C28 C13 123.2(3) . . ?
C13 C28 C1 118.8(3) . . ?
C5 C30 C14 118.9(3) . . ?
C45 C30 C14 117.1(3) . . ?
C45 C30 C5 123.9(3) . . ?
N6 C32 C36 115.4(3) . . ?
C62 C32 N6 124.6(3) . . ?
C62 C32 C36 119.8(3) . . ?
C10 C34 H34 120.4 . . ?
C52 C34 C10 119.3(3) . . ?
C52 C34 H34 120.4 . . ?
N1 C36 C32 118.0(3) . . ?
N1 C36 C44 123.1(3) . . ?
C44 C36 C32 118.9(3) . . ?
C64 C38 Si1 120.4(3) . . ?
C64 C38 C19 117.3(3) . . ?
C19 C38 Si1 122.3(3) . . ?
C12 C40 H40 119.0 . . ?
C65 C40 C12 122.0(3) . . ?
C65 C40 H40 119.0 . . ?
C54 C42 Si2 124.7(3) . . ?
C54 C42 C11 117.0(3) . . ?
C11 C42 Si2 118.3(3) . . ?
C52 C44 C36 117.6(3) . . ?
C52 C44 C66 122.3(3) . . ?
C66 C44 C36 120.1(3) . . ?
C6 C46 H46 119.2 . . ?
C21 C46 C6 121.7(3) . . ?
C21 C46 H46 119.2 . . ?
C26 C48 Si1 121.7(3) . . ?
C9 C48 Si1 121.5(3) . . ?
C9 C48 C26 116.3(3) . . ?
C22 C50 H50 119.2 . . ?
C27 C50 C22 121.6(3) . . ?
C27 C50 H50 119.2 . . ?
C34 C52 C44 119.2(3) . . ?
C34 C52 H52 120.4 . . ?
C44 C52 H52 120.4 . . ?
C42 C54 H54 119.2 . . ?
C42 C54 C47 121.5(4) . . ?
C47 C54 H54 119.2 . . ?
N5 C56 C18 116.4(3) . . ?
N5 C56 C25 123.6(3) . . ?
C25 C56 C18 119.3(3) . . ?
C26 C58 H58 120.1 . . ?
C41 C58 C26 119.9(4) . . ?
C41 C58 H58 120.1 . . ?
C8 C60 H60 120.0 . . ?
C8 C60 C3 119.9(3) . . ?
C3 C60 H60 120.0 . . ?
C32 C62 H62 119.9 . . ?
C32 C62 C23 120.3(3) . . ?
C23 C62 H62 119.9 . . ?
C38 C64 H64 119.4 . . ?
C57 C64 C38 121.3(4) . . ?
C57 C64 H64 119.4 . . ?
C44 C66 H66 120.2 . . ?
C23 C66 C44 119.6(3) . . ?
C23 C66 H66 120.2 . . ?
C22 C68 H68 119.0 . . ?
C43 C68 C22 121.9(4) . . ?
C43 C68 H68 119.0 . . ?
C6 C17 H17 119.1 . . ?
C53 C17 C6 121.8(3) . . ?
C53 C17 H17 119.1 . . ?
C28 C35 H35 120.3 . . ?
C37 C35 C28 119.4(3) . . ?
C37 C35 H35 120.3 . . ?
C48 C9 H9 119.1 . . ?
C49 C9 C48 121.9(4) . . ?
C49 C9 H9 119.1 . . ?
C16 C37 H37 120.5 . . ?
C35 C37 C16 118.9(3) . . ?
C35 C37 H37 120.5 . . ?
C38 C19 H19 119.3 . . ?
C59 C19 C38 121.4(4) . . ?
C59 C19 H19 119.3 . . ?
C12 C39 H39 119.2 . . ?
C12 C39 C7 121.6(3) . . ?
C7 C39 H39 119.2 . . ?
C30 C5 H5 119.8 . . ?
C3 C5 C30 120.4(3) . . ?
C3 C5 H5 119.8 . . ?
C58 C41 H41 120.0 . . ?
C49 C41 C58 120.0(3) . . ?
C49 C41 H41 120.0 . . ?
C46 C21 H21 119.9 . . ?
C31 C21 C46 120.2(3) . . ?
C31 C21 H21 119.9 . . ?
C68 C43 H43 119.8 . . ?
C55 C43 C68 120.4(4) . . ?
C55 C43 H43 119.8 . . ?
C42 C11 H11 119.2 . . ?
C63 C11 C42 121.7(4) . . ?
C63 C11 H11 119.2 . . ?
C30 C45 H45 120.1 . . ?
C25 C45 C30 119.8(3) . . ?
C25 C45 H45 120.1 . . ?
C62 C23 H23 119.4 . . ?
C66 C23 C62 121.3(3) . . ?
C66 C23 H23 119.4 . . ?
C54 C47 H47 120.2 . . ?
C15 C47 C54 119.6(4) . . ?
C15 C47 H47 120.2 . . ?
C60 C3 H3 119.3 . . ?
C5 C3 C60 121.3(3) . . ?
C5 C3 H3 119.3 . . ?
C9 C49 H49 120.1 . . ?
C41 C49 C9 119.9(4) . . ?
C41 C49 H49 120.1 . . ?
C56 C25 H25 120.6 . . ?
C45 C25 C56 118.9(3) . . ?
C45 C25 H25 120.6 . . ?
C4 C51 H51 119.9 . . ?
C4 C51 C2 120.1(3) . . ?
C2 C51 H51 119.9 . . ?
C28 C13 H13 120.0 . . ?
C2 C13 C28 120.1(3) . . ?
C2 C13 H13 120.0 . . ?
C17 C53 H53 120.1 . . ?
C31 C53 C17 119.7(4) . . ?
C31 C53 H53 120.1 . . ?
C50 C27 H27 119.8 . . ?
C55 C27 C50 120.4(4) . . ?
C55 C27 H27 119.8 . . ?
C43 C55 H55 120.3 . . ?
C27 C55 C43 119.4(4) . . ?
C27 C55 H55 120.3 . . ?
C39 C7 H7 120.2 . . ?
C29 C7 C39 119.6(4) . . ?
C29 C7 H7 120.2 . . ?
C64 C57 H57 119.8 . . ?
C61 C57 C64 120.3(4) . . ?
C61 C57 H57 119.8 . . ?
C7 C29 H29 120.0 . . ?
C65 C29 C7 120.0(4) . . ?
C65 C29 H29 120.0 . . ?
C19 C59 H59 120.0 . . ?
C19 C59 C61 120.0(4) . . ?
C61 C59 H59 120.0 . . ?
C47 C15 H15 119.9 . . ?
C63 C15 C47 120.2(4) . . ?
C63 C15 H15 119.9 . . ?
C57 C61 C59 119.7(4) . . ?
C57 C61 H61 120.2 . . ?
C59 C61 H61 120.2 . . ?
C21 C31 C53 119.9(3) . . ?
C21 C31 H31 120.1 . . ?
C53 C31 H31 120.1 . . ?
C11 C63 H63 120.0 . . ?
C15 C63 C11 120.0(4) . . ?
C15 C63 H63 120.0 . . ?
C51 C2 H2 119.2 . . ?
C13 C2 C51 121.7(3) . . ?
C13 C2 H2 119.2 . . ?
C40 C65 H65 120.1 . . ?
C29 C65 C40 119.7(4) . . ?
C29 C65 H65 120.1 . . ?
N7 C33 C67 171.0(10) . . ?
C33 C67 H67A 109.5 . . ?
C33 C67 H67B 109.5 . . ?
C33 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N3 C1 C4 -4.5(4) . . . . ?
Dy1 N3 C1 C28 175.3(2) . . . . ?
Dy1 N3 C16 C24 5.2(4) . . . . ?
Dy1 N3 C16 C37 -173.9(3) . . . . ?
Dy1 N1 C10 C20 -11.4(4) . . . . ?
Dy1 N1 C10 C34 171.0(2) . . . . ?
Dy1 N1 C36 C32 10.0(4) . . . . ?
Dy1 N1 C36 C44 -170.0(2) . . . . ?
Dy1 N6 C18 C56 -25.6(4) . . . . ?
Dy1 N6 C32 C36 -5.2(4) . . . . ?
Dy1 N6 C32 C62 170.4(2) . . . . ?
Dy1 N2 C4 C1 8.8(4) . . . . ?
Dy1 N2 C4 C51 -170.3(3) . . . . ?
Dy1 N2 C20 C10 17.2(4) . . . . ?
Dy1 N5 C14 C8 -0.5(4) . . . . ?
Dy1 N5 C14 C30 -177.8(2) . . . . ?
Dy1 N5 C56 C18 13.2(4) . . . . ?
Dy1 N5 C56 C25 -175.9(3) . . . . ?
Dy1 N4 C8 C14 -17.0(4) . . . . ?
Dy1 N4 C8 C60 164.0(3) . . . . ?
Dy1 N4 C24 C16 -12.3(4) . . . . ?
Si2 C6 C46 C21 176.9(3) . . . . ?
Si2 C6 C17 C53 -176.8(3) . . . . ?
Si2 C12 C40 C65 178.5(3) . . . . ?
Si2 C12 C39 C7 -179.3(3) . . . . ?
Si2 C42 C54 C47 -178.2(3) . . . . ?
Si2 C42 C11 C63 178.1(3) . . . . ?
Si1 C22 C50 C27 175.3(3) . . . . ?
Si1 C22 C68 C43 -174.8(3) . . . . ?
Si1 C38 C64 C57 -179.7(3) . . . . ?
Si1 C38 C19 C59 -178.4(3) . . . . ?
Si1 C48 C9 C49 171.0(3) . . . . ?
O1 Si1 C22 C50 -97.6(3) . . . . ?
O1 Si1 C22 C68 78.6(3) . . . . ?
O1 Si1 C38 C64 2.1(3) . . . . ?
O1 Si1 C38 C19 -178.1(3) . . . . ?
O1 Si1 C48 C26 62.1(3) . . . . ?
O1 Si1 C48 C9 -109.0(3) . . . . ?
O2 Si2 C6 C46 -99.5(3) . . . . ?
O2 Si2 C6 C17 77.5(3) . . . . ?
O2 Si2 C12 C40 12.4(3) . . . . ?
O2 Si2 C12 C39 -166.5(3) . . . . ?
O2 Si2 C42 C54 -137.9(3) . . . . ?
O2 Si2 C42 C11 43.7(3) . . . . ?
N3 C1 C4 N2 -2.7(4) . . . . ?
N3 C1 C4 C51 176.5(3) . . . . ?
N3 C1 C28 C35 -2.0(5) . . . . ?
N3 C1 C28 C13 179.5(3) . . . . ?
N3 C16 C24 N4 4.6(5) . . . . ?
N3 C16 C37 C35 -1.1(6) . . . . ?
N1 C10 C20 N2 -4.0(5) . . . . ?
N1 C10 C34 C52 -0.3(5) . . . . ?
N1 C36 C44 C52 -0.9(5) . . . . ?
N1 C36 C44 C66 179.0(3) . . . . ?
N6 C18 C56 N5 8.7(5) . . . . ?
N6 C18 C56 C25 -162.6(3) . . . . ?
N6 C32 C36 N1 -3.0(4) . . . . ?
N6 C32 C36 C44 177.0(3) . . . . ?
N6 C32 C62 C23 -176.0(3) . . . . ?
N2 C4 C51 C2 -176.5(3) . . . . ?
N5 C14 C30 C5 172.6(3) . . . . ?
N5 C14 C30 C45 -7.2(5) . . . . ?
N5 C56 C25 C45 -5.2(6) . . . . ?
N4 C8 C14 N5 11.1(4) . . . . ?
N4 C8 C14 C30 -171.5(3) . . . . ?
N4 C8 C60 C3 173.9(3) . . . . ?
C1 N3 C16 C24 178.3(3) . . . . ?
C1 N3 C16 C37 -0.8(5) . . . . ?
C1 C4 C51 C2 4.4(6) . . . . ?
C1 C28 C35 C37 0.0(5) . . . . ?
C1 C28 C13 C2 3.7(6) . . . . ?
C4 N2 C20 C10 -177.0(3) . . . . ?
C4 C1 C28 C35 177.8(3) . . . . ?
C4 C1 C28 C13 -0.7(5) . . . . ?
C4 C51 C2 C13 -1.4(6) . . . . ?
C6 Si2 O2 Dy1 -13.1(4) . . . . ?
C6 Si2 C12 C40 133.8(3) . . . . ?
C6 Si2 C12 C39 -45.2(3) . . . . ?
C6 Si2 C42 C54 101.4(3) . . . . ?
C6 Si2 C42 C11 -77.1(3) . . . . ?
C6 C46 C21 C31 -0.3(6) . . . . ?
C6 C17 C53 C31 -0.2(6) . . . . ?
C8 N4 C24 C16 -179.6(3) . . . . ?
C8 C14 C30 C5 -4.7(5) . . . . ?
C8 C14 C30 C45 175.5(3) . . . . ?
C8 C60 C3 C5 -0.5(6) . . . . ?
C10 N1 C36 C32 -179.7(3) . . . . ?
C10 N1 C36 C44 0.2(4) . . . . ?
C10 C34 C52 C44 -0.4(5) . . . . ?
C12 Si2 O2 Dy1 105.9(3) . . . . ?
C12 Si2 C6 C46 139.9(3) . . . . ?
C12 Si2 C6 C17 -43.2(3) . . . . ?
C12 Si2 C42 C54 -15.9(3) . . . . ?
C12 Si2 C42 C11 165.7(3) . . . . ?
C12 C40 C65 C29 1.6(6) . . . . ?
C12 C39 C7 C29 -0.1(6) . . . . ?
C14 N5 C56 C18 -168.3(3) . . . . ?
C14 N5 C56 C25 2.5(5) . . . . ?
C14 C8 C60 C3 -5.1(5) . . . . ?
C14 C30 C5 C3 -0.6(5) . . . . ?
C14 C30 C45 C25 4.3(6) . . . . ?
C16 N3 C1 C4 -177.4(3) . . . . ?
C16 N3 C1 C28 2.4(5) . . . . ?
C18 N6 C32 C36 163.0(3) . . . . ?
C18 N6 C32 C62 -21.4(5) . . . . ?
C18 C56 C25 C45 165.4(4) . . . . ?
C20 N2 C4 C1 -156.5(3) . . . . ?
C20 N2 C4 C51 24.4(5) . . . . ?
C20 C10 C34 C52 -177.8(3) . . . . ?
C22 Si1 O1 Dy1 -12.9(4) . . . . ?
C22 Si1 C38 C64 123.6(3) . . . . ?
C22 Si1 C38 C19 -56.6(3) . . . . ?
C22 Si1 C48 C26 -61.6(3) . . . . ?
C22 Si1 C48 C9 127.4(3) . . . . ?
C22 C50 C27 C55 -0.1(6) . . . . ?
C22 C68 C43 C55 -1.0(6) . . . . ?
C24 N4 C8 C14 150.2(3) . . . . ?
C24 N4 C8 C60 -28.8(5) . . . . ?
C24 C16 C37 C35 179.8(3) . . . . ?
C26 C48 C9 C49 -0.5(5) . . . . ?
C26 C58 C41 C49 -0.6(6) . . . . ?
C28 C1 C4 N2 177.5(3) . . . . ?
C28 C1 C4 C51 -3.3(5) . . . . ?
C28 C35 C37 C16 1.5(6) . . . . ?
C28 C13 C2 C51 -2.8(7) . . . . ?
C30 C5 C3 C60 3.3(6) . . . . ?
C30 C45 C25 C56 1.5(6) . . . . ?
C32 N6 C18 C56 165.6(3) . . . . ?
C32 C36 C44 C52 179.1(3) . . . . ?
C32 C36 C44 C66 -1.0(5) . . . . ?
C32 C62 C23 C66 -0.2(5) . . . . ?
C34 C10 C20 N2 173.8(3) . . . . ?
C36 N1 C10 C20 177.9(3) . . . . ?
C36 N1 C10 C34 0.3(5) . . . . ?
C36 C32 C62 C23 -0.7(5) . . . . ?
C36 C44 C52 C34 0.9(5) . . . . ?
C36 C44 C66 C23 0.2(5) . . . . ?
C38 Si1 O1 Dy1 105.7(4) . . . . ?
C38 Si1 C22 C50 142.5(3) . . . . ?
C38 Si1 C22 C68 -41.3(3) . . . . ?
C38 Si1 C48 C26 -178.9(3) . . . . ?
C38 Si1 C48 C9 10.1(3) . . . . ?
C38 C64 C57 C61 -1.4(6) . . . . ?
C38 C19 C59 C61 -2.5(6) . . . . ?
C40 C12 C39 C7 1.7(6) . . . . ?
C42 Si2 O2 Dy1 -131.3(3) . . . . ?
C42 Si2 C6 C46 19.9(3) . . . . ?
C42 Si2 C6 C17 -163.1(3) . . . . ?
C42 Si2 C12 C40 -109.0(3) . . . . ?
C42 Si2 C12 C39 72.0(3) . . . . ?
C42 C54 C47 C15 -0.2(6) . . . . ?
C42 C11 C63 C15 0.7(6) . . . . ?
C44 C66 C23 C62 0.4(5) . . . . ?
C46 C6 C17 C53 0.4(5) . . . . ?
C46 C21 C31 C53 0.5(7) . . . . ?
C48 Si1 O1 Dy1 -135.9(4) . . . . ?
C48 Si1 C22 C50 24.6(3) . . . . ?
C48 Si1 C22 C68 -159.3(3) . . . . ?
C48 Si1 C38 C64 -116.9(3) . . . . ?
C48 Si1 C38 C19 63.0(3) . . . . ?
C48 C26 C58 C41 0.5(5) . . . . ?
C48 C9 C49 C41 0.4(6) . . . . ?
C50 C22 C68 C43 1.6(5) . . . . ?
C50 C27 C55 C43 0.8(6) . . . . ?
C52 C44 C66 C23 -179.9(3) . . . . ?
C54 C42 C11 C63 -0.5(5) . . . . ?
C54 C47 C15 C63 0.4(6) . . . . ?
C56 N5 C14 C8 -178.9(3) . . . . ?
C56 N5 C14 C30 3.8(5) . . . . ?
C58 C26 C48 Si1 -171.4(3) . . . . ?
C58 C26 C48 C9 0.1(5) . . . . ?
C58 C41 C49 C9 0.2(6) . . . . ?
C60 C8 C14 N5 -169.9(3) . . . . ?
C60 C8 C14 C30 7.6(5) . . . . ?
C62 C32 C36 N1 -178.8(3) . . . . ?
C62 C32 C36 C44 1.3(5) . . . . ?
C64 C38 C19 C59 1.5(5) . . . . ?
C64 C57 C61 C59 0.4(7) . . . . ?
C66 C44 C52 C34 -178.9(3) . . . . ?
C68 C22 C50 C27 -1.1(5) . . . . ?
C68 C43 C55 C27 -0.2(6) . . . . ?
C17 C6 C46 C21 -0.2(5) . . . . ?
C17 C53 C31 C21 -0.3(7) . . . . ?
C35 C28 C13 C2 -174.7(4) . . . . ?
C37 C16 C24 N4 -176.3(3) . . . . ?
C19 C38 C64 C57 0.5(5) . . . . ?
C19 C59 C61 C57 1.6(7) . . . . ?
C39 C12 C40 C65 -2.4(5) . . . . ?
C39 C7 C29 C65 -0.8(7) . . . . ?
C5 C30 C45 C25 -175.5(4) . . . . ?
C11 C42 C54 C47 0.2(5) . . . . ?
C45 C30 C5 C3 179.1(4) . . . . ?
C47 C15 C63 C11 -0.7(7) . . . . ?
C13 C28 C35 C37 178.4(4) . . . . ?
C7 C29 C65 C40 0.1(7) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 126.2 14.8 '1.6 H2O'
2 0.500 0.500 0.000 238.8 24.5 '2.4 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4R
_database_code_depnum_ccdc_archive 'CCDC 2178782'
loop_
_audit_author_name
_audit_author_address
'shuting Liu'
;Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_audit_creation_date             2022-04-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C62 H60 Dy N6 O2 Si2, C24 H19 B Br, 2(C H2 Cl2), H2 O'
_chemical_formula_sum            'C88 H85 B Br Cl4 Dy N6 O3 Si2'
_chemical_formula_weight         1725.82
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   14.8456(6)
_cell_length_b                   18.6825(7)
_cell_length_c                   28.9361(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8025.5(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      24.744
_cell_measurement_theta_min      2.576
_shelx_estimated_absorpt_T_max   0.734
_shelx_estimated_absorpt_T_min   0.638
_exptl_absorpt_coefficient_mu    1.646
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5959
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1323 before and 0.0762 after correction.
The Ratio of minimum to maximum transmission is 0.7997.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3524
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0738
_diffrn_reflns_av_unetI/netI     0.0706
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            52797
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.030
_diffrn_reflns_theta_max         25.030
_diffrn_reflns_theta_min         2.180
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.825
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                12309
_reflns_number_total             14162
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.869
_refine_diff_density_min         -2.443
_refine_diff_density_rms         0.127
_refine_ls_abs_structure_details 
;
 Flack x determined using 4741 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.005(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     934
_refine_ls_number_reflns         14162
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0596
_refine_ls_restrained_S_all      1.483
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0909P)²+19.3294P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1608
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H,H) groups
2. Restrained distances
 H3B-O3
 0.85 with sigma of 0.01
 O3-H3A
 0.85 with sigma of 0.01
 H3B-H3A
 1.34 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C68 \\sim C84: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 3.8A
Uanis(Br1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Everything fixed:
 C86, H3A, H3B
4.b Ternary CH refined with riding coordinates:
 C1(H1), C17(H17), C24(H24), C25(H25)
4.c Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C28(H28A,H28B), C35(H35A,H35B), C37(H37A,H37B), C38(H38A,
 H38B), C43(H43A,H43B), C48(H48A,H48B), C67(H67A,H67B), C85(H85A,H85B),
 C86(H86A,H86B)
4.d Aromatic/amide H refined with riding coordinates:
 C22(H22), C50(H50), C68(H68), C84(H84), C83(H83), C4(H4), C5(H5), C8(H8),
 C9(H9), C13(H13), C14(H14), C16(H16), C19(H19), C20(H20), C21(H21), C26(H26),
 C27(H27), C30(H30), C32(H32), C33(H33), C36(H36), C39(H39), C40(H40), C41(H41),
  C44(H44), C45(H45), C46(H46), C47(H47), C49(H49), C51(H51), C52(H52),
 C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C69(H69),
 C70(H70), C72(H72), C73(H73), C74(H74), C75(H75), C77(H77), C78(H78), C79(H79),
  C80(H80), C81(H81), C82(H82), C87(H87), C88(H88)
4.e Fitted hexagon refined as free rotating group:
 C3(C22,C50,C68,C84,C83)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.57418(3) 0.93411(2) 0.37743(2) 0.02371(14) Uani 1 1 d . . . . .
Si1 Si 0.5872(2) 1.08771(16) 0.29565(10) 0.0286(7) Uani 1 1 d . . . . .
Si2 Si 0.5665(3) 0.77724(16) 0.45661(10) 0.0297(7) Uani 1 1 d . . . . .
Br1 Br 0.1963(4) 1.02675(18) 0.59313(10) 0.1866(13) Uani 1 1 d . U . . .
O1 O 0.5724(7) 1.0248(4) 0.3320(2) 0.0331(17) Uani 1 1 d . . . . .
N4 N 0.5144(7) 1.0268(5) 0.4380(3) 0.027(2) Uani 1 1 d . . . . .
Cl2 Cl 0.9861(5) 0.7969(5) 0.2538(3) 0.148(3) Uani 1 1 d . . . . .
O2 O 0.5722(7) 0.8446(4) 0.4234(3) 0.0395(19) Uani 1 1 d . . . . .
N3 N 0.3968(6) 0.9558(5) 0.3839(3) 0.027(2) Uani 1 1 d . . . . .
N6 N 0.7531(6) 0.9315(6) 0.3609(3) 0.0286(19) Uani 1 1 d . . . . .
N1 N 0.6353(6) 0.8760(5) 0.3008(3) 0.027(2) Uani 1 1 d . . . . .
Cl1 Cl 0.8463(8) 0.7159(6) 0.2929(3) 0.167(4) Uani 1 1 d . . . . .
N2 N 0.4651(6) 0.8551(5) 0.3279(3) 0.026(2) Uani 1 1 d . . . . .
Cl3 Cl 0.1727(7) 0.8965(6) 0.2098(3) 0.176(4) Uani 1 1 d . . . . .
C1 C 0.3739(8) 0.8430(6) 0.3456(4) 0.030(3) Uani 1 1 d . . . . .
H1 H 0.379593 0.817897 0.376020 0.036 Uiso 1 1 calc R U . . .
N5 N 0.6866(7) 0.9846(5) 0.4398(3) 0.029(2) Uani 1 1 d . . . . .
C2 C 0.4291(9) 1.0466(5) 0.4388(4) 0.031(2) Uani 1 1 d . . . . .
C3 C 0.4984(6) 1.0844(4) 0.2484(3) 0.034(3) Uani 1 1 d G . . . .
C22 C 0.4656(6) 1.1472(3) 0.2289(3) 0.045(3) Uani 1 1 d G . . . .
H22 H 0.489012 1.192171 0.238500 0.054 Uiso 1 1 calc R U . . .
C50 C 0.3985(7) 1.1443(5) 0.1955(3) 0.060(4) Uani 1 1 d G . . . .
H50 H 0.376126 1.187227 0.182152 0.072 Uiso 1 1 calc R U . . .
C68 C 0.3643(8) 1.0785(6) 0.1815(4) 0.089(6) Uani 1 1 d G U . . .
H68 H 0.318420 1.076527 0.158601 0.107 Uiso 1 1 calc R U . . .
C84 C 0.3970(10) 1.0157(5) 0.2010(5) 0.104(6) Uani 1 1 d G U . . .
H84 H 0.373600 0.970769 0.191399 0.125 Uiso 1 1 calc R U . . .
C83 C 0.4641(9) 1.0186(3) 0.2344(4) 0.093(8) Uani 1 1 d G . . . .
H83 H 0.486486 0.975711 0.247747 0.112 Uiso 1 1 calc R U . . .
C4 C 0.6888(9) 0.8421(8) 0.2109(4) 0.043(3) Uani 1 1 d . . . . .
H4 H 0.706732 0.831268 0.180199 0.051 Uiso 1 1 calc R U . . .
C5 C 0.5731(11) 0.8781(7) 0.5291(5) 0.047(3) Uani 1 1 d . . . . .
H5 H 0.588085 0.911042 0.505311 0.057 Uiso 1 1 calc R U . . .
C6 C 0.7186(8) 0.8892(6) 0.2855(4) 0.030(2) Uani 1 1 d . . . . .
C7 C 0.5696(9) 1.0599(6) 0.4669(3) 0.030(2) Uani 1 1 d . . . . .
C8 C 0.6271(10) 1.2362(6) 0.3141(5) 0.040(3) Uani 1 1 d . . . . .
H8 H 0.671147 1.232870 0.290429 0.048 Uiso 1 1 calc R U . . .
C9 C -0.1850(12) 1.2028(9) 0.4121(7) 0.065(5) Uani 1 1 d . . . . .
H9 H -0.248925 1.201253 0.411650 0.078 Uiso 1 1 calc R U . . .
C10 C 0.4684(9) 0.7183(7) 0.4417(4) 0.034(3) Uani 1 1 d . . . . .
C11 C 0.5549(7) 0.8071(6) 0.5181(4) 0.031(3) Uani 1 1 d . . . . .
C12 C 0.5772(10) 1.1770(6) 0.3249(4) 0.034(2) Uani 1 1 d . . . . .
C13 C 0.3816(9) 0.7316(7) 0.4589(4) 0.036(3) Uani 1 1 d . . . . .
H13 H 0.372920 0.769316 0.480502 0.044 Uiso 1 1 calc R U . . .
C14 C 0.7795(8) 0.9194(6) 0.3203(4) 0.035(3) Uani 1 1 d . . . . .
H14 H 0.840020 0.929949 0.312125 0.042 Uiso 1 1 calc R U . . .
C15 C 0.3120(8) 0.7967(7) 0.3143(4) 0.036(3) Uani 1 1 d . . . . .
H15A H 0.307438 0.818973 0.283379 0.043 Uiso 1 1 calc R U . . .
H15B H 0.338661 0.748488 0.310603 0.043 Uiso 1 1 calc R U . . .
C16 C 0.7761(9) 1.0933(7) 0.2966(4) 0.039(3) Uani 1 1 d . . . . .
H16 H 0.767069 1.103364 0.328463 0.047 Uiso 1 1 calc R U . . .
C17 C 0.8195(8) 0.9590(6) 0.3945(4) 0.031(3) Uani 1 1 d . . . . .
H17 H 0.829428 1.010895 0.387931 0.037 Uiso 1 1 calc R U . . .
C18 C 0.7022(9) 1.0843(6) 0.2692(4) 0.033(3) Uani 1 1 d . . . . .
C19 C -0.1376(9) 1.2218(8) 0.3725(6) 0.056(4) Uani 1 1 d . . . . .
H19 H -0.167870 1.236869 0.345219 0.067 Uiso 1 1 calc R U . . .
C20 C 0.3681(8) 1.0075(6) 0.4079(4) 0.032(3) Uani 1 1 d . . . . .
H20 H 0.306531 1.021100 0.406013 0.039 Uiso 1 1 calc R U . . .
C21 C 0.4877(8) 0.8323(6) 0.2887(4) 0.029(2) Uani 1 1 d . . . . .
H21 H 0.445302 0.806862 0.270400 0.035 Uiso 1 1 calc R U . . .
C23 C 0.1623(9) 1.2766(7) 0.4089(4) 0.040(3) Uani 1 1 d . . . . .
C24 C 0.7771(8) 0.9525(6) 0.4425(4) 0.030(3) Uani 1 1 d . . . . .
H24 H 0.768939 0.900343 0.448948 0.036 Uiso 1 1 calc R U . . .
C25 C 0.3327(8) 0.9163(6) 0.3549(4) 0.030(3) Uani 1 1 d . . . . .
H25 H 0.327635 0.941938 0.324691 0.036 Uiso 1 1 calc R U . . .
C26 C 0.0939(10) 1.0967(7) 0.3465(4) 0.044(3) Uani 1 1 d . . . . .
H26 H 0.035105 1.089626 0.358650 0.053 Uiso 1 1 calc R U . . .
C27 C 0.3961(9) 1.1013(7) 0.4675(5) 0.043(3) Uani 1 1 d . . . . .
H27 H 0.334183 1.114274 0.466898 0.052 Uiso 1 1 calc R U . . .
C28 C 0.9101(9) 0.9217(8) 0.3936(5) 0.050(4) Uani 1 1 d . . . . .
H28A H 0.901264 0.869819 0.398644 0.060 Uiso 1 1 calc R U . . .
H28B H 0.937743 0.928154 0.362708 0.060 Uiso 1 1 calc R U . . .
C29 C 0.5783(9) 0.8447(5) 0.2712(4) 0.031(2) Uani 1 1 d . . . . .
C30 C 0.7485(9) 0.8743(7) 0.2406(4) 0.040(3) Uani 1 1 d . . . . .
H30 H 0.807911 0.886064 0.230992 0.049 Uiso 1 1 calc R U . . .
C31 C 0.6713(9) 0.7220(7) 0.4523(4) 0.036(3) Uani 1 1 d . . . . .
C32 C 0.4558(9) 1.1360(7) 0.4967(5) 0.046(3) Uani 1 1 d . . . . .
H32 H 0.436211 1.173270 0.516573 0.055 Uiso 1 1 calc R U . . .
C33 C 0.1473(9) 1.0801(7) 0.4593(5) 0.042(3) Uani 1 1 d . . . . .
H33 H 0.132504 1.055662 0.431539 0.050 Uiso 1 1 calc R U . . .
C34 C 0.1512(8) 1.1532(7) 0.4581(4) 0.037(3) Uani 1 1 d . . . . .
C35 C 0.9730(9) 0.9504(9) 0.4297(5) 0.054(4) Uani 1 1 d . . . . .
H35A H 0.986789 1.001201 0.423138 0.065 Uiso 1 1 calc R U . . .
H35B H 1.030234 0.923168 0.428997 0.065 Uiso 1 1 calc R U . . .
C36 C 0.6012(9) 0.8251(7) 0.2258(4) 0.037(3) Uani 1 1 d . . . . .
H36 H 0.559539 0.801455 0.206057 0.044 Uiso 1 1 calc R U . . .
C37 C 0.8402(8) 0.9814(7) 0.4788(4) 0.037(3) Uani 1 1 d . . . . .
H37A H 0.812446 0.975308 0.509659 0.045 Uiso 1 1 calc R U . . .
H37B H 0.849385 1.033227 0.473553 0.045 Uiso 1 1 calc R U . . .
C38 C 0.9301(10) 0.9440(8) 0.4780(5) 0.050(3) Uani 1 1 d . . . . .
H38A H 0.921915 0.892819 0.485904 0.059 Uiso 1 1 calc R U . . .
H38B H 0.970461 0.965664 0.501321 0.059 Uiso 1 1 calc R U . . .
C39 C 0.1636(11) 1.0389(9) 0.4989(5) 0.057(4) Uani 1 1 d . . . . .
H39 H 0.159979 0.988171 0.498487 0.068 Uiso 1 1 calc R U . . .
C40 C 0.6642(9) 1.0345(6) 0.4660(4) 0.035(3) Uani 1 1 d . . . . .
H40 H 0.707826 1.056337 0.485504 0.042 Uiso 1 1 calc R U . . .
C41 C 0.5421(9) 1.1150(7) 0.4958(4) 0.043(3) Uani 1 1 d . . . . .
H41 H 0.584882 1.138082 0.515168 0.052 Uiso 1 1 calc R U . . .
C42 C 0.1496(9) 1.1493(7) 0.3665(4) 0.040(3) Uani 1 1 d . . . . .
C43 C 0.2179(8) 0.7901(7) 0.3357(5) 0.044(3) Uani 1 1 d . . . . .
H43A H 0.178612 0.762197 0.314693 0.052 Uiso 1 1 calc R U . . .
H43B H 0.221990 0.764095 0.365378 0.052 Uiso 1 1 calc R U . . .
C44 C 0.2644(12) 1.1127(9) 0.3099(5) 0.060(4) Uani 1 1 d . . . . .
H44 H 0.323878 1.118070 0.298245 0.072 Uiso 1 1 calc R U . . .
C45 C 0.3104(10) 0.6920(8) 0.4454(5) 0.052(4) Uani 1 1 d . . . . .
H45 H 0.252735 0.701574 0.458167 0.063 Uiso 1 1 calc R U . . .
C46 C 0.7169(10) 1.0708(9) 0.2218(4) 0.053(4) Uani 1 1 d . . . . .
H46 H 0.666840 1.064234 0.201780 0.064 Uiso 1 1 calc R U . . .
C47 C 0.5516(11) 1.3067(7) 0.3714(5) 0.057(4) Uani 1 1 d . . . . .
H47 H 0.543584 1.350596 0.387377 0.068 Uiso 1 1 calc R U . . .
C48 C 0.1767(9) 0.8631(8) 0.3438(5) 0.048(3) Uani 1 1 d . . . . .
H48A H 0.116894 0.857462 0.358477 0.057 Uiso 1 1 calc R U . . .
H48B H 0.168164 0.887683 0.313812 0.057 Uiso 1 1 calc R U . . .
C49 C 0.5693(12) 0.9017(9) 0.5757(5) 0.065(4) Uani 1 1 d . . . . .
H49 H 0.578823 0.950616 0.583174 0.078 Uiso 1 1 calc R U . . .
C51 C 0.7296(11) 0.7290(12) 0.4155(5) 0.069(5) Uani 1 1 d . . . . .
H51 H 0.718542 0.765525 0.393294 0.083 Uiso 1 1 calc R U . . .
B1 B 0.1219(11) 1.1950(8) 0.4131(5) 0.035(3) Uani 1 1 d . . . . .
C52 C 0.6946(10) 0.6690(7) 0.4836(6) 0.051(4) Uani 1 1 d . . . . .
H52 H 0.657319 0.661829 0.509858 0.061 Uiso 1 1 calc R U . . .
C53 C 0.2509(10) 1.2913(9) 0.4242(5) 0.051(4) Uani 1 1 d . . . . .
H53 H 0.284924 1.253828 0.437881 0.061 Uiso 1 1 calc R U . . .
C54 C 0.8660(10) 1.0882(9) 0.2798(5) 0.057(4) Uani 1 1 d . . . . .
H54 H 0.916409 1.094068 0.299699 0.068 Uiso 1 1 calc R U . . .
C55 C 0.5510(10) 0.8508(10) 0.6108(5) 0.061(4) Uani 1 1 d . . . . .
H55 H 0.551781 0.865388 0.642251 0.074 Uiso 1 1 calc R U . . .
C56 C 0.5101(11) 1.1846(8) 0.3601(5) 0.049(4) Uani 1 1 d . . . . .
H56 H 0.472297 1.145479 0.368007 0.059 Uiso 1 1 calc R U . . .
C57 C 0.2900(14) 1.3587(11) 0.4201(5) 0.073(6) Uani 1 1 d . . . . .
H57 H 0.349880 1.366679 0.430384 0.087 Uiso 1 1 calc R U . . .
C58 C -0.1390(10) 1.1862(8) 0.4516(6) 0.056(4) Uani 1 1 d . . . . .
H58 H -0.171659 1.175459 0.479015 0.067 Uiso 1 1 calc R U . . .
C59 C 0.1220(12) 1.0551(8) 0.3096(5) 0.060(4) Uani 1 1 d . . . . .
H59 H 0.082482 1.020335 0.296910 0.072 Uiso 1 1 calc R U . . .
C60 C 0.2073(13) 1.0638(10) 0.2912(5) 0.066(5) Uani 1 1 d . . . . .
H60 H 0.225925 1.035637 0.265610 0.080 Uiso 1 1 calc R U . . .
C61 C 0.2335(10) 1.1554(8) 0.3471(5) 0.050(4) Uani 1 1 d . . . . .
H61 H 0.273245 1.190459 0.359307 0.060 Uiso 1 1 calc R U . . .
C62 C 0.5345(9) 0.7593(8) 0.5551(4) 0.043(3) Uani 1 1 d . . . . .
H62 H 0.521985 0.710522 0.548465 0.051 Uiso 1 1 calc R U . . .
C63 C 0.3203(13) 0.6359(10) 0.4122(6) 0.072(5) Uani 1 1 d . . . . .
H63 H 0.270028 0.610134 0.400562 0.087 Uiso 1 1 calc R U . . .
C64 C 0.8025(11) 1.0672(12) 0.2044(5) 0.075(5) Uani 1 1 d . . . . .
H64 H 0.811246 1.059597 0.172265 0.090 Uiso 1 1 calc R U . . .
C65 C -0.0453(9) 1.1847(7) 0.4524(5) 0.043(3) Uani 1 1 d . . . . .
H65 H -0.015025 1.172058 0.480165 0.052 Uiso 1 1 calc R U . . .
C66 C 0.5010(12) 1.2503(8) 0.3825(5) 0.059(4) Uani 1 1 d . . . . .
H66 H 0.457493 1.255013 0.406390 0.071 Uiso 1 1 calc R U . . .
C67 C 0.2377(7) 0.9086(7) 0.3751(5) 0.042(3) Uani 1 1 d . . . . .
H67A H 0.210719 0.956745 0.378894 0.051 Uiso 1 1 calc R U . . .
H67B H 0.241531 0.886122 0.405978 0.051 Uiso 1 1 calc R U . . .
Cl4 Cl 0.0804(12) 0.9941(8) 0.1535(7) 0.307(10) Uani 1 1 d . . . . .
C69 C 0.1207(11) 1.3361(7) 0.3890(5) 0.048(3) Uani 1 1 d . . . . .
H69 H 0.061357 1.329407 0.377471 0.058 Uiso 1 1 calc R U . . .
C70 C 0.1573(13) 1.4039(8) 0.3843(6) 0.063(4) Uani 1 1 d . . . . .
H70 H 0.124264 1.441333 0.369930 0.076 Uiso 1 1 calc R U . . .
C71 C 0.0063(10) 1.2020(7) 0.4120(5) 0.045(3) Uani 1 1 d . . . . .
C72 C 0.5327(10) 0.7823(10) 0.6002(5) 0.053(4) Uani 1 1 d . . . . .
H72 H 0.518233 0.749501 0.624188 0.063 Uiso 1 1 calc R U . . .
C73 C 0.6151(11) 1.3021(8) 0.3372(6) 0.057(4) Uani 1 1 d . . . . .
H73 H 0.650441 1.342617 0.329079 0.068 Uiso 1 1 calc R U . . .
C74 C -0.0446(9) 1.2181(8) 0.3744(5) 0.051(3) Uani 1 1 d . . . . .
H74 H -0.013011 1.227712 0.346513 0.062 Uiso 1 1 calc R U . . .
C75 C 0.4776(11) 0.6604(9) 0.4111(5) 0.056(4) Uani 1 1 d . . . . .
H75 H 0.535682 0.648986 0.399541 0.068 Uiso 1 1 calc R U . . .
C76 C 0.1848(14) 1.0752(10) 0.5377(5) 0.073(5) Uani 1 1 d . . . . .
C77 C 0.1726(11) 1.1863(9) 0.4998(5) 0.052(4) Uani 1 1 d . . . . .
H77 H 0.175305 1.237108 0.500891 0.062 Uiso 1 1 calc R U . . .
C78 C 0.2399(16) 1.4149(9) 0.4004(5) 0.073(6) Uani 1 1 d . . . . .
H78 H 0.265500 1.461455 0.398620 0.088 Uiso 1 1 calc R U . . .
C79 C 0.7684(11) 0.6269(8) 0.4784(7) 0.061(5) Uani 1 1 d . . . . .
H79 H 0.781629 0.590825 0.500545 0.073 Uiso 1 1 calc R U . . .
C80 C 0.1898(13) 1.1490(9) 0.5388(5) 0.067(5) Uani 1 1 d . . . . .
H80 H 0.205169 1.173209 0.566576 0.081 Uiso 1 1 calc R U . . .
C81 C 0.8765(11) 1.0744(10) 0.2331(6) 0.068(5) Uani 1 1 d . . . . .
H81 H 0.935336 1.069804 0.220509 0.081 Uiso 1 1 calc R U . . .
C82 C 0.4081(11) 0.6215(11) 0.3981(6) 0.078(6) Uani 1 1 d . . . . .
H82 H 0.418360 0.581861 0.378134 0.094 Uiso 1 1 calc R U . . .
C85 C 0.9066(17) 0.7278(14) 0.2458(7) 0.105(8) Uani 1 1 d . . . . .
H85A H 0.866256 0.740096 0.219740 0.125 Uiso 1 1 calc R U . . .
H85B H 0.938239 0.682745 0.237978 0.125 Uiso 1 1 calc R U . . .
C86 C 0.107120 0.906120 0.163410 0.390 Uani 1 1 d . . . . .
H86A H 0.051001 0.878349 0.167893 0.468 Uiso 1 1 calc R U . . .
H86B H 0.138544 0.886519 0.136015 0.468 Uiso 1 1 calc R U . . .
C87 C 0.8241(11) 0.6367(11) 0.4407(7) 0.069(5) Uani 1 1 d . . . . .
H87 H 0.877029 0.608475 0.437474 0.082 Uiso 1 1 calc R U . . .
C88 C 0.8044(11) 0.6844(15) 0.4096(6) 0.087(8) Uani 1 1 d . . . . .
H88 H 0.840890 0.688951 0.382740 0.105 Uiso 1 1 calc R U . . .
O3 O 0.3321(7) 1.4766(4) 0.3916(3) 0.068(3) Uani 1 1 d D . . . .
H3A H 0.382410 1.453740 0.374390 0.081 Uiso 1 1 d D U . . .
H3B H 0.297570 1.503280 0.368580 0.081 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.145(7) . ?
Dy1 N4 2.619(9) . ?
Dy1 O2 2.136(7) . ?
Dy1 N3 2.670(9) . ?
Dy1 N6 2.699(8) . ?
Dy1 N1 2.631(9) . ?
Dy1 N2 2.618(9) . ?
Dy1 N5 2.632(10) . ?
Si1 O1 1.592(7) . ?
Si1 C3 1.900(7) . ?
Si1 C12 1.877(11) . ?
Si1 C18 1.872(13) . ?
Si2 O2 1.586(8) . ?
Si2 C10 1.877(13) . ?
Si2 C11 1.873(12) . ?
Si2 C31 1.871(14) . ?
Br1 C76 1.851(15) . ?
N4 C2 1.320(16) . ?
N4 C7 1.323(15) . ?
Cl2 C85 1.77(3) . ?
N3 C20 1.264(14) . ?
N3 C25 1.468(14) . ?
N6 C14 1.258(14) . ?
N6 C17 1.476(14) . ?
N1 C6 1.336(15) . ?
N1 C29 1.337(15) . ?
Cl1 C85 1.65(2) . ?
N2 C1 1.467(15) . ?
N2 C21 1.256(14) . ?
Cl3 C86 1.669(10) . ?
C1 H1 1.0000 . ?
C1 C15 1.553(15) . ?
C1 C25 1.522(16) . ?
N5 C24 1.473(15) . ?
N5 C40 1.249(15) . ?
C2 C20 1.466(16) . ?
C2 C27 1.406(16) . ?
C3 C22 1.3900 . ?
C3 C83 1.3900 . ?
C22 H22 0.9500 . ?
C22 C50 1.3900 . ?
C50 H50 0.9500 . ?
C50 C68 1.3900 . ?
C68 H68 0.9500 . ?
C68 C84 1.3900 . ?
C84 H84 0.9500 . ?
C84 C83 1.3900 . ?
C83 H83 0.9500 . ?
C4 H4 0.9500 . ?
C4 C30 1.373(19) . ?
C4 C36 1.405(18) . ?
C5 H5 0.9500 . ?
C5 C11 1.392(17) . ?
C5 C49 1.418(19) . ?
C6 C14 1.467(17) . ?
C6 C30 1.403(16) . ?
C7 C40 1.483(18) . ?
C7 C41 1.389(16) . ?
C8 H8 0.9500 . ?
C8 C12 1.367(17) . ?
C8 C73 1.41(2) . ?
C9 H9 0.9500 . ?
C9 C19 1.39(2) . ?
C9 C58 1.37(3) . ?
C10 C13 1.403(18) . ?
C10 C75 1.403(19) . ?
C11 C62 1.427(17) . ?
C12 C56 1.431(19) . ?
C13 H13 0.9500 . ?
C13 C45 1.348(19) . ?
C14 H14 0.9500 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C43 1.533(17) . ?
C16 H16 0.9500 . ?
C16 C18 1.364(18) . ?
C16 C54 1.424(19) . ?
C17 H17 1.0000 . ?
C17 C24 1.529(15) . ?
C17 C28 1.515(18) . ?
C18 C46 1.411(17) . ?
C19 H19 0.9500 . ?
C19 C74 1.38(2) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C21 C29 1.457(18) . ?
C23 B1 1.64(2) . ?
C23 C53 1.41(2) . ?
C23 C69 1.396(19) . ?
C24 H24 1.0000 . ?
C24 C37 1.506(15) . ?
C25 H25 1.0000 . ?
C25 C67 1.534(16) . ?
C26 H26 0.9500 . ?
C26 C42 1.408(18) . ?
C26 C59 1.384(19) . ?
C27 H27 0.9500 . ?
C27 C32 1.384(19) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C35 1.50(2) . ?
C29 C36 1.407(15) . ?
C30 H30 0.9500 . ?
C31 C51 1.38(2) . ?
C31 C52 1.386(19) . ?
C32 H32 0.9500 . ?
C32 C41 1.341(19) . ?
C33 H33 0.9500 . ?
C33 C34 1.368(18) . ?
C33 C39 1.401(19) . ?
C34 B1 1.58(2) . ?
C34 C77 1.393(19) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C38 1.54(2) . ?
C36 H36 0.9500 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.507(19) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39 0.9500 . ?
C39 C76 1.35(2) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C42 B1 1.648(17) . ?
C42 C61 1.370(19) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C48 1.512(19) . ?
C44 H44 0.9500 . ?
C44 C60 1.36(2) . ?
C44 C61 1.417(19) . ?
C45 H45 0.9500 . ?
C45 C63 1.43(2) . ?
C46 H46 0.9500 . ?
C46 C64 1.37(2) . ?
C47 H47 0.9500 . ?
C47 C66 1.33(2) . ?
C47 C73 1.37(2) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C67 1.538(17) . ?
C49 H49 0.9500 . ?
C49 C55 1.42(2) . ?
C51 H51 0.9500 . ?
C51 C88 1.40(3) . ?
B1 C71 1.72(2) . ?
C52 H52 0.9500 . ?
C52 C79 1.36(2) . ?
C53 H53 0.9500 . ?
C53 C57 1.39(2) . ?
C54 H54 0.9500 . ?
C54 C81 1.39(2) . ?
C55 H55 0.9500 . ?
C55 C72 1.34(2) . ?
C56 H56 0.9500 . ?
C56 C66 1.40(2) . ?
C57 H57 0.9500 . ?
C57 C78 1.41(3) . ?
C58 H58 0.9500 . ?
C58 C65 1.39(2) . ?
C59 H59 0.9500 . ?
C59 C60 1.38(2) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C62 C72 1.375(19) . ?
C63 H63 0.9500 . ?
C63 C82 1.39(3) . ?
C64 H64 0.9500 . ?
C64 C81 1.38(2) . ?
C65 H65 0.9500 . ?
C65 C71 1.44(2) . ?
C66 H66 0.9500 . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
Cl4 C86 1.716(13) . ?
C69 H69 0.9500 . ?
C69 C70 1.38(2) . ?
C70 H70 0.9500 . ?
C70 C78 1.33(3) . ?
C71 C74 1.36(2) . ?
C72 H72 0.9500 . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
C75 C82 1.32(2) . ?
C76 C80 1.38(2) . ?
C77 H77 0.9500 . ?
C77 C80 1.35(2) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
C79 C87 1.38(3) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 H87 0.9500 . ?
C87 C88 1.30(3) . ?
C88 H88 0.9500 . ?
O3 H3A 0.9949 . ?
O3 H3B 0.9767 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N4 83.4(3) . . ?
O1 Dy1 N3 84.9(3) . . ?
O1 Dy1 N6 85.3(3) . . ?
O1 Dy1 N1 79.2(3) . . ?
O1 Dy1 N2 95.8(3) . . ?
O1 Dy1 N5 98.4(3) . . ?
N4 Dy1 N3 61.2(3) . . ?
N4 Dy1 N6 117.6(3) . . ?
N4 Dy1 N1 162.6(3) . . ?
N4 Dy1 N5 61.3(3) . . ?
O2 Dy1 O1 178.4(4) . . ?
O2 Dy1 N4 95.5(3) . . ?
O2 Dy1 N3 93.6(3) . . ?
O2 Dy1 N6 96.3(3) . . ?
O2 Dy1 N1 101.9(3) . . ?
O2 Dy1 N2 83.8(3) . . ?
O2 Dy1 N5 82.1(3) . . ?
N3 Dy1 N6 170.2(3) . . ?
N1 Dy1 N3 117.5(3) . . ?
N1 Dy1 N6 60.3(3) . . ?
N1 Dy1 N5 120.5(3) . . ?
N2 Dy1 N4 122.0(3) . . ?
N2 Dy1 N3 61.0(3) . . ?
N2 Dy1 N6 120.1(3) . . ?
N2 Dy1 N1 61.2(3) . . ?
N2 Dy1 N5 165.8(3) . . ?
N5 Dy1 N3 121.5(3) . . ?
N5 Dy1 N6 60.3(3) . . ?
O1 Si1 C3 110.8(5) . . ?
O1 Si1 C12 110.3(5) . . ?
O1 Si1 C18 111.8(5) . . ?
C12 Si1 C3 107.4(5) . . ?
C18 Si1 C3 109.7(5) . . ?
C18 Si1 C12 106.7(6) . . ?
O2 Si2 C10 111.6(5) . . ?
O2 Si2 C11 110.2(5) . . ?
O2 Si2 C31 110.7(6) . . ?
C11 Si2 C10 108.8(5) . . ?
C31 Si2 C10 107.8(5) . . ?
C31 Si2 C11 107.7(5) . . ?
Si1 O1 Dy1 170.5(6) . . ?
C2 N4 Dy1 121.4(7) . . ?
C2 N4 C7 116.9(10) . . ?
C7 N4 Dy1 121.5(8) . . ?
Si2 O2 Dy1 177.4(6) . . ?
C20 N3 Dy1 119.2(8) . . ?
C20 N3 C25 118.7(10) . . ?
C25 N3 Dy1 121.5(6) . . ?
C14 N6 Dy1 118.4(7) . . ?
C14 N6 C17 118.0(9) . . ?
C17 N6 Dy1 122.2(7) . . ?
C6 N1 Dy1 121.4(7) . . ?
C6 N1 C29 117.1(10) . . ?
C29 N1 Dy1 120.1(8) . . ?
C1 N2 Dy1 117.8(7) . . ?
C21 N2 Dy1 121.4(8) . . ?
C21 N2 C1 120.7(10) . . ?
N2 C1 H1 107.5 . . ?
N2 C1 C15 115.3(10) . . ?
N2 C1 C25 107.1(9) . . ?
C15 C1 H1 107.6 . . ?
C25 C1 H1 107.6 . . ?
C25 C1 C15 111.5(10) . . ?
C24 N5 Dy1 118.0(7) . . ?
C40 N5 Dy1 121.0(8) . . ?
C40 N5 C24 120.9(10) . . ?
N4 C2 C20 116.3(9) . . ?
N4 C2 C27 123.2(11) . . ?
C27 C2 C20 120.4(12) . . ?
C22 C3 Si1 120.5(5) . . ?
C22 C3 C83 120.0 . . ?
C83 C3 Si1 119.5(5) . . ?
C3 C22 H22 120.0 . . ?
C50 C22 C3 120.0 . . ?
C50 C22 H22 120.0 . . ?
C22 C50 H50 120.0 . . ?
C22 C50 C68 120.0 . . ?
C68 C50 H50 120.0 . . ?
C50 C68 H68 120.0 . . ?
C50 C68 C84 120.0 . . ?
C84 C68 H68 120.0 . . ?
C68 C84 H84 120.0 . . ?
C83 C84 C68 120.0 . . ?
C83 C84 H84 120.0 . . ?
C3 C83 H83 120.0 . . ?
C84 C83 C3 120.0 . . ?
C84 C83 H83 120.0 . . ?
C30 C4 H4 119.8 . . ?
C30 C4 C36 120.4(11) . . ?
C36 C4 H4 119.8 . . ?
C11 C5 H5 119.8 . . ?
C11 C5 C49 120.4(13) . . ?
C49 C5 H5 119.8 . . ?
N1 C6 C14 114.5(10) . . ?
N1 C6 C30 124.2(11) . . ?
C30 C6 C14 121.2(11) . . ?
N4 C7 C40 115.3(9) . . ?
N4 C7 C41 123.1(12) . . ?
C41 C7 C40 121.6(11) . . ?
C12 C8 H8 119.0 . . ?
C12 C8 C73 122.0(14) . . ?
C73 C8 H8 119.0 . . ?
C19 C9 H9 120.1 . . ?
C58 C9 H9 120.1 . . ?
C58 C9 C19 119.7(15) . . ?
C13 C10 Si2 121.7(9) . . ?
C75 C10 Si2 121.4(10) . . ?
C75 C10 C13 116.8(12) . . ?
C5 C11 Si2 118.9(9) . . ?
C5 C11 C62 117.8(11) . . ?
C62 C11 Si2 123.2(9) . . ?
C8 C12 Si1 125.0(10) . . ?
C8 C12 C56 117.3(12) . . ?
C56 C12 Si1 117.6(9) . . ?
C10 C13 H13 119.4 . . ?
C45 C13 C10 121.2(12) . . ?
C45 C13 H13 119.4 . . ?
N6 C14 C6 121.2(11) . . ?
N6 C14 H14 119.4 . . ?
C6 C14 H14 119.4 . . ?
C1 C15 H15A 109.6 . . ?
C1 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C43 C15 C1 110.4(10) . . ?
C43 C15 H15A 109.6 . . ?
C43 C15 H15B 109.6 . . ?
C18 C16 H16 118.4 . . ?
C18 C16 C54 123.2(13) . . ?
C54 C16 H16 118.4 . . ?
N6 C17 H17 108.1 . . ?
N6 C17 C24 107.3(9) . . ?
N6 C17 C28 114.9(10) . . ?
C24 C17 H17 108.1 . . ?
C28 C17 H17 108.1 . . ?
C28 C17 C24 110.2(10) . . ?
C16 C18 Si1 119.4(9) . . ?
C16 C18 C46 117.6(12) . . ?
C46 C18 Si1 123.0(10) . . ?
C9 C19 H19 121.4 . . ?
C74 C19 C9 117.3(17) . . ?
C74 C19 H19 121.4 . . ?
N3 C20 C2 120.4(11) . . ?
N3 C20 H20 119.8 . . ?
C2 C20 H20 119.8 . . ?
N2 C21 H21 119.8 . . ?
N2 C21 C29 120.4(10) . . ?
C29 C21 H21 119.8 . . ?
C53 C23 B1 119.8(13) . . ?
C69 C23 B1 127.4(13) . . ?
C69 C23 C53 112.7(13) . . ?
N5 C24 C17 107.1(9) . . ?
N5 C24 H24 107.2 . . ?
N5 C24 C37 117.3(10) . . ?
C17 C24 H24 107.2 . . ?
C37 C24 C17 110.5(10) . . ?
C37 C24 H24 107.2 . . ?
N3 C25 C1 107.0(9) . . ?
N3 C25 H25 107.9 . . ?
N3 C25 C67 115.2(9) . . ?
C1 C25 H25 107.9 . . ?
C1 C25 C67 110.6(10) . . ?
C67 C25 H25 107.9 . . ?
C42 C26 H26 119.0 . . ?
C59 C26 H26 119.0 . . ?
C59 C26 C42 122.0(14) . . ?
C2 C27 H27 120.8 . . ?
C32 C27 C2 118.5(12) . . ?
C32 C27 H27 120.8 . . ?
C17 C28 H28A 109.2 . . ?
C17 C28 H28B 109.2 . . ?
H28A C28 H28B 107.9 . . ?
C35 C28 C17 112.1(12) . . ?
C35 C28 H28A 109.2 . . ?
C35 C28 H28B 109.2 . . ?
N1 C29 C21 115.5(10) . . ?
N1 C29 C36 124.0(12) . . ?
C36 C29 C21 120.5(11) . . ?
C4 C30 C6 117.5(12) . . ?
C4 C30 H30 121.2 . . ?
C6 C30 H30 121.2 . . ?
C51 C31 Si2 121.3(12) . . ?
C51 C31 C52 114.6(14) . . ?
C52 C31 Si2 124.0(10) . . ?
C27 C32 H32 121.1 . . ?
C41 C32 C27 117.7(12) . . ?
C41 C32 H32 121.1 . . ?
C34 C33 H33 117.9 . . ?
C34 C33 C39 124.1(14) . . ?
C39 C33 H33 117.9 . . ?
C33 C34 B1 120.1(12) . . ?
C33 C34 C77 115.6(13) . . ?
C77 C34 B1 124.0(12) . . ?
C28 C35 H35A 109.6 . . ?
C28 C35 H35B 109.6 . . ?
C28 C35 C38 110.3(12) . . ?
H35A C35 H35B 108.1 . . ?
C38 C35 H35A 109.6 . . ?
C38 C35 H35B 109.6 . . ?
C4 C36 C29 116.7(11) . . ?
C4 C36 H36 121.6 . . ?
C29 C36 H36 121.6 . . ?
C24 C37 H37A 109.2 . . ?
C24 C37 H37B 109.2 . . ?
C24 C37 C38 111.9(11) . . ?
H37A C37 H37B 107.9 . . ?
C38 C37 H37A 109.2 . . ?
C38 C37 H37B 109.2 . . ?
C35 C38 H38A 109.6 . . ?
C35 C38 H38B 109.6 . . ?
C37 C38 C35 110.2(11) . . ?
C37 C38 H38A 109.6 . . ?
C37 C38 H38B 109.6 . . ?
H38A C38 H38B 108.1 . . ?
C33 C39 H39 121.8 . . ?
C76 C39 C33 116.4(15) . . ?
C76 C39 H39 121.8 . . ?
N5 C40 C7 120.1(11) . . ?
N5 C40 H40 120.0 . . ?
C7 C40 H40 120.0 . . ?
C7 C41 H41 119.7 . . ?
C32 C41 C7 120.5(12) . . ?
C32 C41 H41 119.7 . . ?
C26 C42 B1 123.4(12) . . ?
C61 C42 C26 115.1(12) . . ?
C61 C42 B1 121.2(12) . . ?
C15 C43 H43A 109.4 . . ?
C15 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C48 C43 C15 111.0(11) . . ?
C48 C43 H43A 109.4 . . ?
C48 C43 H43B 109.4 . . ?
C60 C44 H44 120.7 . . ?
C60 C44 C61 118.6(15) . . ?
C61 C44 H44 120.7 . . ?
C13 C45 H45 119.4 . . ?
C13 C45 C63 121.2(14) . . ?
C63 C45 H45 119.4 . . ?
C18 C46 H46 119.7 . . ?
C64 C46 C18 120.6(14) . . ?
C64 C46 H46 119.7 . . ?
C66 C47 H47 119.5 . . ?
C66 C47 C73 120.9(14) . . ?
C73 C47 H47 119.5 . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
C43 C48 C67 110.7(11) . . ?
H48A C48 H48B 108.1 . . ?
C67 C48 H48A 109.5 . . ?
C67 C48 H48B 109.5 . . ?
C5 C49 H49 120.6 . . ?
C55 C49 C5 118.7(14) . . ?
C55 C49 H49 120.6 . . ?
C31 C51 H51 118.8 . . ?
C31 C51 C88 122.4(18) . . ?
C88 C51 H51 118.8 . . ?
C23 B1 C42 109.2(10) . . ?
C23 B1 C71 107.0(12) . . ?
C34 B1 C23 114.7(11) . . ?
C34 B1 C42 110.5(11) . . ?
C34 B1 C71 109.1(11) . . ?
C42 B1 C71 105.9(11) . . ?
C31 C52 H52 118.5 . . ?
C79 C52 C31 122.9(15) . . ?
C79 C52 H52 118.5 . . ?
C23 C53 H53 118.8 . . ?
C57 C53 C23 122.4(17) . . ?
C57 C53 H53 118.8 . . ?
C16 C54 H54 121.6 . . ?
C81 C54 C16 116.8(14) . . ?
C81 C54 H54 121.6 . . ?
C49 C55 H55 119.5 . . ?
C72 C55 C49 121.0(13) . . ?
C72 C55 H55 119.5 . . ?
C12 C56 H56 120.5 . . ?
C66 C56 C12 119.1(14) . . ?
C66 C56 H56 120.5 . . ?
C53 C57 H57 120.3 . . ?
C53 C57 C78 119.3(18) . . ?
C78 C57 H57 120.3 . . ?
C9 C58 H58 119.5 . . ?
C9 C58 C65 121.1(16) . . ?
C65 C58 H58 119.5 . . ?
C26 C59 H59 119.8 . . ?
C26 C59 C60 120.5(15) . . ?
C60 C59 H59 119.8 . . ?
C44 C60 C59 119.8(14) . . ?
C44 C60 H60 120.1 . . ?
C59 C60 H60 120.1 . . ?
C42 C61 C44 123.9(15) . . ?
C42 C61 H61 118.0 . . ?
C44 C61 H61 118.0 . . ?
C11 C62 H62 119.3 . . ?
C72 C62 C11 121.4(14) . . ?
C72 C62 H62 119.3 . . ?
C45 C63 H63 122.1 . . ?
C82 C63 C45 115.8(14) . . ?
C82 C63 H63 122.1 . . ?
C46 C64 H64 119.6 . . ?
C46 C64 C81 120.8(14) . . ?
C81 C64 H64 119.6 . . ?
C58 C65 H65 119.5 . . ?
C58 C65 C71 121.0(15) . . ?
C71 C65 H65 119.5 . . ?
C47 C66 C56 121.8(15) . . ?
C47 C66 H66 119.1 . . ?
C56 C66 H66 119.1 . . ?
C25 C67 C48 111.7(11) . . ?
C25 C67 H67A 109.3 . . ?
C25 C67 H67B 109.3 . . ?
C48 C67 H67A 109.3 . . ?
C48 C67 H67B 109.3 . . ?
H67A C67 H67B 107.9 . . ?
C23 C69 H69 116.7 . . ?
C70 C69 C23 126.5(16) . . ?
C70 C69 H69 116.7 . . ?
C69 C70 H70 121.0 . . ?
C78 C70 C69 118.0(17) . . ?
C78 C70 H70 121.0 . . ?
C65 C71 B1 120.0(13) . . ?
C74 C71 B1 125.8(13) . . ?
C74 C71 C65 114.0(14) . . ?
C55 C72 C62 120.7(15) . . ?
C55 C72 H72 119.7 . . ?
C62 C72 H72 119.7 . . ?
C8 C73 H73 120.6 . . ?
C47 C73 C8 118.8(14) . . ?
C47 C73 H73 120.6 . . ?
C19 C74 H74 116.6 . . ?
C71 C74 C19 126.7(16) . . ?
C71 C74 H74 116.6 . . ?
C10 C75 H75 119.0 . . ?
C82 C75 C10 122.0(15) . . ?
C82 C75 H75 119.0 . . ?
C39 C76 Br1 119.8(14) . . ?
C39 C76 C80 122.3(15) . . ?
C80 C76 Br1 117.6(13) . . ?
C34 C77 H77 118.7 . . ?
C80 C77 C34 122.5(15) . . ?
C80 C77 H77 118.7 . . ?
C57 C78 H78 119.6 . . ?
C70 C78 C57 120.9(16) . . ?
C70 C78 H78 119.6 . . ?
C52 C79 H79 120.2 . . ?
C52 C79 C87 119.6(17) . . ?
C87 C79 H79 120.2 . . ?
C76 C80 H80 120.5 . . ?
C77 C80 C76 119.1(16) . . ?
C77 C80 H80 120.5 . . ?
C54 C81 H81 119.5 . . ?
C64 C81 C54 121.0(14) . . ?
C64 C81 H81 119.5 . . ?
C63 C82 H82 118.7 . . ?
C75 C82 C63 122.7(16) . . ?
C75 C82 H82 118.7 . . ?
Cl2 C85 H85A 109.5 . . ?
Cl2 C85 H85B 109.5 . . ?
Cl1 C85 Cl2 110.7(12) . . ?
Cl1 C85 H85A 109.5 . . ?
Cl1 C85 H85B 109.5 . . ?
H85A C85 H85B 108.1 . . ?
Cl3 C86 Cl4 111.9(8) . . ?
Cl3 C86 H86A 109.2 . . ?
Cl3 C86 H86B 109.2 . . ?
Cl4 C86 H86A 109.2 . . ?
Cl4 C86 H86B 109.2 . . ?
H86A C86 H86B 107.9 . . ?
C79 C87 H87 119.9 . . ?
C88 C87 C79 120.2(16) . . ?
C88 C87 H87 119.9 . . ?
C51 C88 H88 119.9 . . ?
C87 C88 C51 120.2(16) . . ?
C87 C88 H88 119.9 . . ?
H3A O3 H3B 105.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N4 C2 C20 7.4(13) . . . . ?
Dy1 N4 C2 C27 -173.3(9) . . . . ?
Dy1 N4 C7 C40 -6.9(13) . . . . ?
Dy1 N4 C7 C41 172.5(9) . . . . ?
Dy1 N3 C20 C2 -11.5(14) . . . . ?
Dy1 N3 C25 C1 31.2(11) . . . . ?
Dy1 N3 C25 C67 154.7(8) . . . . ?
Dy1 N6 C14 C6 -15.7(15) . . . . ?
Dy1 N6 C17 C24 26.6(11) . . . . ?
Dy1 N6 C17 C28 149.5(9) . . . . ?
Dy1 N1 C6 C14 17.3(13) . . . . ?
Dy1 N1 C6 C30 -164.5(9) . . . . ?
Dy1 N1 C29 C21 -12.3(12) . . . . ?
Dy1 N1 C29 C36 166.9(9) . . . . ?
Dy1 N2 C1 C15 179.1(8) . . . . ?
Dy1 N2 C1 C25 54.4(10) . . . . ?
Dy1 N2 C21 C29 4.8(15) . . . . ?
Dy1 N5 C24 C17 56.0(10) . . . . ?
Dy1 N5 C24 C37 -179.2(8) . . . . ?
Dy1 N5 C40 C7 8.3(15) . . . . ?
Si1 C3 C22 C50 -177.9(8) . . . . ?
Si1 C3 C83 C84 177.9(7) . . . . ?
Si1 C12 C56 C66 179.9(11) . . . . ?
Si1 C18 C46 C64 -178.4(15) . . . . ?
Si2 C10 C13 C45 175.3(11) . . . . ?
Si2 C10 C75 C82 -175.5(15) . . . . ?
Si2 C11 C62 C72 175.5(10) . . . . ?
Si2 C31 C51 C88 -174.7(14) . . . . ?
Si2 C31 C52 C79 176.2(12) . . . . ?
Br1 C76 C80 C77 -173.3(14) . . . . ?
O1 Si1 C12 C8 144.2(11) . . . . ?
O1 Si1 C12 C56 -38.1(12) . . . . ?
O1 Si1 C18 C16 -63.2(11) . . . . ?
O1 Si1 C18 C46 115.0(11) . . . . ?
N4 C2 C20 N3 3.0(16) . . . . ?
N4 C2 C27 C32 0(2) . . . . ?
N4 C7 C40 N5 -0.9(16) . . . . ?
N4 C7 C41 C32 2(2) . . . . ?
O2 Si2 C10 C13 -84.9(11) . . . . ?
O2 Si2 C10 C75 92.4(12) . . . . ?
O2 Si2 C11 C5 -14.5(12) . . . . ?
O2 Si2 C11 C62 170.1(10) . . . . ?
O2 Si2 C31 C51 -17.6(14) . . . . ?
O2 Si2 C31 C52 165.9(11) . . . . ?
N3 C25 C67 C48 -176.8(11) . . . . ?
N6 C17 C24 N5 -49.7(11) . . . . ?
N6 C17 C24 C37 -178.6(10) . . . . ?
N6 C17 C28 C35 -177.8(11) . . . . ?
N1 C6 C14 N6 -0.4(16) . . . . ?
N1 C6 C30 C4 -2.0(19) . . . . ?
N1 C29 C36 C4 -2.2(18) . . . . ?
N2 C1 C15 C43 -178.0(10) . . . . ?
N2 C1 C25 N3 -52.0(11) . . . . ?
N2 C1 C25 C67 -178.3(9) . . . . ?
N2 C21 C29 N1 5.1(16) . . . . ?
N2 C21 C29 C36 -174.2(11) . . . . ?
C1 N2 C21 C29 179.8(10) . . . . ?
C1 C15 C43 C48 56.8(14) . . . . ?
C1 C25 C67 C48 -55.3(14) . . . . ?
N5 C24 C37 C38 179.8(10) . . . . ?
C2 N4 C7 C40 178.2(10) . . . . ?
C2 N4 C7 C41 -2.4(16) . . . . ?
C2 C27 C32 C41 0(2) . . . . ?
C3 Si1 C12 C8 -94.9(12) . . . . ?
C3 Si1 C12 C56 82.7(11) . . . . ?
C3 Si1 C18 C16 173.4(9) . . . . ?
C3 Si1 C18 C46 -8.3(12) . . . . ?
C3 C22 C50 C68 0.0 . . . . ?
C22 C3 C83 C84 0.0 . . . . ?
C22 C50 C68 C84 0.0 . . . . ?
C50 C68 C84 C83 0.0 . . . . ?
C68 C84 C83 C3 0.0 . . . . ?
C83 C3 C22 C50 0.0 . . . . ?
C5 C11 C62 C72 0.1(19) . . . . ?
C5 C49 C55 C72 -4(3) . . . . ?
C6 N1 C29 C21 -178.9(10) . . . . ?
C6 N1 C29 C36 0.3(16) . . . . ?
C7 N4 C2 C20 -177.7(10) . . . . ?
C7 N4 C2 C27 1.6(17) . . . . ?
C8 C12 C56 C66 -2(2) . . . . ?
C9 C19 C74 C71 -5(2) . . . . ?
C9 C58 C65 C71 1(2) . . . . ?
C10 Si2 C11 C5 -137.1(11) . . . . ?
C10 Si2 C11 C62 47.5(11) . . . . ?
C10 Si2 C31 C51 104.7(13) . . . . ?
C10 Si2 C31 C52 -71.9(12) . . . . ?
C10 C13 C45 C63 -1(2) . . . . ?
C10 C75 C82 C63 2(3) . . . . ?
C11 Si2 C10 C13 36.8(12) . . . . ?
C11 Si2 C10 C75 -145.9(12) . . . . ?
C11 Si2 C31 C51 -138.1(12) . . . . ?
C11 Si2 C31 C52 45.4(13) . . . . ?
C11 C5 C49 C55 3(3) . . . . ?
C11 C62 C72 C55 -1(2) . . . . ?
C12 Si1 C18 C16 57.5(10) . . . . ?
C12 Si1 C18 C46 -124.3(12) . . . . ?
C12 C8 C73 C47 0(2) . . . . ?
C12 C56 C66 C47 2(2) . . . . ?
C13 C10 C75 C82 2(2) . . . . ?
C13 C45 C63 C82 5(3) . . . . ?
C14 N6 C17 C24 -167.1(11) . . . . ?
C14 N6 C17 C28 -44.2(15) . . . . ?
C14 C6 C30 C4 176.1(12) . . . . ?
C15 C1 C25 N3 -179.0(9) . . . . ?
C15 C1 C25 C67 54.7(13) . . . . ?
C15 C43 C48 C67 -57.3(16) . . . . ?
C16 C18 C46 C64 0(2) . . . . ?
C16 C54 C81 C64 1(3) . . . . ?
C17 N6 C14 C6 177.4(10) . . . . ?
C17 C24 C37 C38 -57.1(13) . . . . ?
C17 C28 C35 C38 56.5(16) . . . . ?
C18 Si1 C12 C8 22.6(13) . . . . ?
C18 Si1 C12 C56 -159.7(10) . . . . ?
C18 C16 C54 C81 1(2) . . . . ?
C18 C46 C64 C81 2(3) . . . . ?
C19 C9 C58 C65 -3(2) . . . . ?
C20 N3 C25 C1 -158.1(10) . . . . ?
C20 N3 C25 C67 -34.6(15) . . . . ?
C20 C2 C27 C32 178.9(12) . . . . ?
C21 N2 C1 C15 4.0(15) . . . . ?
C21 N2 C1 C25 -120.7(11) . . . . ?
C21 C29 C36 C4 177.0(11) . . . . ?
C23 B1 C71 C65 -112.5(13) . . . . ?
C23 B1 C71 C74 72.5(17) . . . . ?
C23 C53 C57 C78 1(2) . . . . ?
C23 C69 C70 C78 -1(2) . . . . ?
C24 N5 C40 C7 -172.3(10) . . . . ?
C24 C17 C28 C35 -56.5(15) . . . . ?
C24 C37 C38 C35 56.9(15) . . . . ?
C25 N3 C20 C2 177.5(10) . . . . ?
C25 C1 C15 C43 -55.6(13) . . . . ?
C26 C42 B1 C23 -145.5(13) . . . . ?
C26 C42 B1 C34 87.3(15) . . . . ?
C26 C42 B1 C71 -30.6(17) . . . . ?
C26 C42 C61 C44 0(2) . . . . ?
C26 C59 C60 C44 1(3) . . . . ?
C27 C2 C20 N3 -176.3(12) . . . . ?
C27 C32 C41 C7 -1(2) . . . . ?
C28 C17 C24 N5 -175.5(10) . . . . ?
C28 C17 C24 C37 55.6(13) . . . . ?
C28 C35 C38 C37 -55.8(16) . . . . ?
C29 N1 C6 C14 -176.3(10) . . . . ?
C29 N1 C6 C30 1.9(17) . . . . ?
C30 C4 C36 C29 2(2) . . . . ?
C30 C6 C14 N6 -178.7(12) . . . . ?
C31 Si2 C10 C13 153.4(11) . . . . ?
C31 Si2 C10 C75 -29.4(13) . . . . ?
C31 Si2 C11 C5 106.3(11) . . . . ?
C31 Si2 C11 C62 -69.1(11) . . . . ?
C31 C51 C88 C87 -4(3) . . . . ?
C31 C52 C79 C87 1(2) . . . . ?
C33 C34 B1 C23 -159.2(11) . . . . ?
C33 C34 B1 C42 -35.1(17) . . . . ?
C33 C34 B1 C71 80.9(14) . . . . ?
C33 C34 C77 C80 1(2) . . . . ?
C33 C39 C76 Br1 173.8(12) . . . . ?
C33 C39 C76 C80 0(3) . . . . ?
C34 C33 C39 C76 0(2) . . . . ?
C34 B1 C71 C65 12.1(17) . . . . ?
C34 B1 C71 C74 -162.8(13) . . . . ?
C34 C77 C80 C76 -1(3) . . . . ?
C36 C4 C30 C6 0(2) . . . . ?
C39 C33 C34 B1 -173.8(13) . . . . ?
C39 C33 C34 C77 0(2) . . . . ?
C39 C76 C80 C77 0(3) . . . . ?
C40 N5 C24 C17 -123.5(11) . . . . ?
C40 N5 C24 C37 1.3(15) . . . . ?
C40 C7 C41 C32 -178.6(13) . . . . ?
C41 C7 C40 N5 179.6(12) . . . . ?
C42 C26 C59 C60 0(2) . . . . ?
C42 B1 C71 C65 131.1(12) . . . . ?
C42 B1 C71 C74 -43.9(18) . . . . ?
C43 C48 C67 C25 56.7(16) . . . . ?
C45 C63 C82 C75 -5(3) . . . . ?
C46 C64 C81 C54 -2(3) . . . . ?
C49 C5 C11 Si2 -176.9(13) . . . . ?
C49 C5 C11 C62 -1(2) . . . . ?
C49 C55 C72 C62 3(2) . . . . ?
C51 C31 C52 C79 -1(2) . . . . ?
B1 C23 C53 C57 177.6(12) . . . . ?
B1 C23 C69 C70 -177.5(13) . . . . ?
B1 C34 C77 C80 174.1(15) . . . . ?
B1 C42 C61 C44 173.6(14) . . . . ?
B1 C71 C74 C19 177.9(14) . . . . ?
C52 C31 C51 C88 2(2) . . . . ?
C52 C79 C87 C88 -2(3) . . . . ?
C53 C23 B1 C34 37.4(16) . . . . ?
C53 C23 B1 C42 -87.3(14) . . . . ?
C53 C23 B1 C71 158.5(11) . . . . ?
C53 C23 C69 C70 -1.0(19) . . . . ?
C53 C57 C78 C70 -3(2) . . . . ?
C54 C16 C18 Si1 177.0(11) . . . . ?
C54 C16 C18 C46 -1(2) . . . . ?
C58 C9 C19 C74 5(2) . . . . ?
C58 C65 C71 B1 -176.4(13) . . . . ?
C58 C65 C71 C74 -1(2) . . . . ?
C59 C26 C42 B1 -174.6(13) . . . . ?
C59 C26 C42 C61 -1(2) . . . . ?
C60 C44 C61 C42 2(2) . . . . ?
C61 C42 B1 C23 40.9(17) . . . . ?
C61 C42 B1 C34 -86.2(15) . . . . ?
C61 C42 B1 C71 155.8(13) . . . . ?
C61 C44 C60 C59 -2(3) . . . . ?
C65 C71 C74 C19 3(2) . . . . ?
C66 C47 C73 C8 -1(2) . . . . ?
C69 C23 B1 C34 -146.4(13) . . . . ?
C69 C23 B1 C42 88.9(15) . . . . ?
C69 C23 B1 C71 -25.3(17) . . . . ?
C69 C23 C53 C57 0.9(18) . . . . ?
C69 C70 C78 C57 2(2) . . . . ?
C73 C8 C12 Si1 179.1(10) . . . . ?
C73 C8 C12 C56 1(2) . . . . ?
C73 C47 C66 C56 0(2) . . . . ?
C75 C10 C13 C45 -2(2) . . . . ?
C77 C34 B1 C23 27.9(18) . . . . ?
C77 C34 B1 C42 152.0(13) . . . . ?
C77 C34 B1 C71 -92.0(15) . . . . ?
C79 C87 C88 C51 4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3R
_database_code_depnum_ccdc_archive 'CCDC 2178780'
loop_
_audit_author_name
_audit_author_address
'shuting Liu'
;Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_audit_creation_date             2022-03-27
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C62 H60 Dy N6 O2 Si2, C24 H19 B Br, H2 O, 2(C H2 Cl2)'
_chemical_formula_sum            'C88 H85 B Br Cl4 Dy N6 O3 Si2'
_chemical_formula_weight         1725.82
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.0584(3)
_cell_length_b                   18.5883(4)
_cell_length_c                   28.7616(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8050.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9663
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      25.035
_cell_measurement_theta_min      2.610
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.641
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0804 before and 0.0624 after correction.
The Ratio of minimum to maximum transmission is 0.7649.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3524
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            50443
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.043
_diffrn_reflns_theta_max         25.043
_diffrn_reflns_theta_min         2.191
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.822
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                13354
_reflns_number_total             14145
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.143
_refine_diff_density_min         -1.314
_refine_diff_density_rms         0.091
_refine_ls_abs_structure_details 
;
 Flack x determined using 5809 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.001(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     943
_refine_ls_number_reflns         14145
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0358
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0602P)²+8.6130P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0992
_refine_ls_wR_factor_ref         0.1013
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H,H) groups
2. Restrained distances
 H3B-O3
 0.85 with sigma of 0.01
 O3-H3A
 0.85 with sigma of 0.01
 H3B-H3A
 1.34 with sigma of 0.01
3.a Everything fixed:
 H3A, H3B
3.b Ternary CH refined with riding coordinates:
 C1(H1), C52(H52), C66(H66), C13(H13)
3.c Secondary CH2 refined with riding coordinates:
 C60(H60A,H60B), C76(H76A,H76B), C23(H23A,H23B), C25(H25A,H25B), C61(H61A,
 H61B), C67(H67A,H67B), C35(H35A,H35B), C37(H37A,H37B), C87(H87B,H87A), C4(H4A,
 H4B)
3.d Aromatic/amide H refined with riding coordinates:
 C12(H12), C14(H14), C18(H18), C20(H20), C24(H24), C26(H26), C28(H28),
 C32(H32), C34(H34), C50(H50), C54(H54), C56(H56), C58(H58), C62(H62), C64(H64),
  C68(H68), C70(H70), C72(H72), C74(H74), C78(H78), C80(H80), C82(H82),
 C86(H86), C11(H11), C45(H45), C47(H47), C49(H49), C51(H51), C53(H53), C27(H27),
  C55(H55), C7(H7), C57(H57), C29(H29), C59(H59), C15(H15), C31(H31), C63(H63),
 C2(H2), C65(H65), C33(H33), C17(H17), C69(H69), C71(H71), C9(H9), C73(H73),
 C75(H75), C19(H19), C77(H77), C39(H39), C79(H79), C5(H5), C81(H81), C83(H83),
 C21(H21), C46(H46), C43(H43), C41(H41), C85(H85)
3.e Fitted hexagon refined as free rotating group:
 C21(C22,C46,C43,C41,C85)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.43162(2) 0.56451(2) 0.37512(2) 0.02222(9) Uani 1 1 d . . . . .
Br1 Br 0.95776(7) 0.51058(6) 0.27865(4) 0.0661(3) Uani 1 1 d . . . . .
Si1 Si 0.43943(12) 0.72253(9) 0.45468(6) 0.0257(3) Uani 1 1 d . . . . .
Si2 Si 0.42947(14) 0.40981(9) 0.29332(6) 0.0296(4) Uani 1 1 d . . . . .
O1 O 0.4354(4) 0.6553(2) 0.42035(15) 0.0328(10) Uani 1 1 d . . . . .
O2 O 0.4387(4) 0.4750(2) 0.32862(15) 0.0329(10) Uani 1 1 d . . . . .
N1 N 0.4913(4) 0.4718(3) 0.43664(18) 0.0274(12) Uani 1 1 d . . . . .
N6 N 0.3200(4) 0.5122(3) 0.43779(19) 0.0285(12) Uani 1 1 d . . . . .
N5 N 0.2538(3) 0.5655(3) 0.35861(19) 0.0297(11) Uani 1 1 d . . . . .
N4 N 0.3693(4) 0.6210(3) 0.29783(19) 0.0286(12) Uani 1 1 d . . . . .
N2 N 0.6062(4) 0.5462(3) 0.38248(19) 0.0281(12) Uani 1 1 d . . . . .
C1 C 0.6246(4) 0.6604(3) 0.3440(2) 0.0274(14) Uani 1 1 d . . . . .
H1 H 0.616873 0.685153 0.374578 0.033 Uiso 1 1 calc R U . . .
C88 C 0.4460(4) 0.6908(4) 0.5161(2) 0.0316(14) Uani 1 1 d . . . . .
N3 N 0.5369(4) 0.6456(3) 0.32570(19) 0.0273(12) Uani 1 1 d . . . . .
C6 C 0.5773(5) 0.4550(3) 0.4386(2) 0.0294(14) Uani 1 1 d . . . . .
C8 C 0.4356(5) 0.4375(4) 0.4650(2) 0.0328(13) Uani 1 1 d . . . . .
C10 C 0.5381(4) 0.7826(4) 0.4434(2) 0.0276(14) Uani 1 1 d . . . . .
C12 C 0.3425(5) 0.4623(4) 0.4649(2) 0.0312(15) Uani 1 1 d . . . . .
H12 H 0.300147 0.440894 0.485115 0.037 Uiso 1 1 calc R U . . .
C14 C 0.3875(5) 0.2628(4) 0.3215(3) 0.0380(17) Uani 1 1 d . . . . .
H14 H 0.341118 0.263243 0.299089 0.046 Uiso 1 1 calc R U . . .
C16 C 0.4431(5) 0.3229(4) 0.3263(2) 0.0341(15) Uani 1 1 d . . . . .
C18 C 0.3180(6) 0.6523(5) 0.2069(3) 0.0447(19) Uani 1 1 d . . . . .
H18 H 0.300931 0.661306 0.175638 0.054 Uiso 1 1 calc R U . . .
C20 C 0.4002(5) 0.6721(4) 0.2222(3) 0.0414(18) Uani 1 1 d . . . . .
H20 H 0.439575 0.697935 0.202486 0.050 Uiso 1 1 calc R U . . .
C24 C 0.4356(6) 0.6181(4) 0.5257(3) 0.0470(19) Uani 1 1 d . . . . .
H24 H 0.426385 0.585679 0.500635 0.056 Uiso 1 1 calc R U . . .
C26 C 0.9095(5) 0.4012(4) 0.3433(2) 0.0335(15) Uani 1 1 d . . . . .
H26 H 0.968130 0.408741 0.354378 0.040 Uiso 1 1 calc R U . . .
C28 C 0.4604(6) 0.7373(5) 0.5542(3) 0.047(2) Uani 1 1 d . . . . .
H28 H 0.468725 0.787300 0.548962 0.057 Uiso 1 1 calc R U . . .
C30 C 0.8562(4) 0.3484(3) 0.4567(2) 0.0290(14) Uani 1 1 d . . . . .
C32 C 0.4642(5) 0.3832(4) 0.4960(3) 0.0412(17) Uani 1 1 d . . . . .
H32 H 0.423009 0.359276 0.515611 0.049 Uiso 1 1 calc R U . . .
C34 C 0.8598(5) 0.4234(4) 0.4569(3) 0.0372(16) Uani 1 1 d . . . . .
H34 H 0.874695 0.447095 0.428714 0.045 Uiso 1 1 calc R U . . .
C36 C 0.3355(4) 0.7774(4) 0.4471(3) 0.0306(15) Uani 1 1 d . . . . .
C38 C 0.8476(5) 0.2214(4) 0.4080(2) 0.0332(15) Uani 1 1 d . . . . .
C40 C 0.8561(5) 0.3489(4) 0.3645(2) 0.0316(15) Uani 1 1 d . . . . .
C42 C 0.3163(5) 0.4088(4) 0.2658(2) 0.0334(15) Uani 1 1 d . . . . .
C44 C 0.4254(5) 0.6536(3) 0.2677(2) 0.0312(14) Uani 1 1 d . . . . .
C48 C 0.2878(5) 0.6041(4) 0.2824(2) 0.0314(14) Uani 1 1 d . . . . .
C50 C 0.6107(5) 0.4023(4) 0.4684(3) 0.0406(17) Uani 1 1 d . . . . .
H50 H 0.672439 0.391680 0.468831 0.049 Uiso 1 1 calc R U . . .
C52 C 0.1888(4) 0.5380(4) 0.3921(2) 0.0307(14) Uani 1 1 d . . . . .
H52 H 0.177931 0.486040 0.384984 0.037 Uiso 1 1 calc R U . . .
C54 C 0.2424(5) 0.4008(4) 0.2934(3) 0.0404(17) Uani 1 1 d . . . . .
H54 H 0.250150 0.395480 0.326025 0.048 Uiso 1 1 calc R U . . .
C56 C 0.6214(5) 0.7657(4) 0.4620(3) 0.0360(16) Uani 1 1 d . . . . .
H56 H 0.626779 0.725427 0.482175 0.043 Uiso 1 1 calc R U . . .
C58 C 0.8090(6) 0.3579(4) 0.5378(3) 0.0446(18) Uani 1 1 d . . . . .
H58 H 0.790164 0.334761 0.565520 0.053 Uiso 1 1 calc R U . . .
C60 C 0.8189(5) 0.6447(5) 0.3433(3) 0.0454(19) Uani 1 1 d . . . . .
H60A H 0.878073 0.651094 0.357769 0.054 Uiso 1 1 calc R U . . .
H60B H 0.827587 0.621461 0.312661 0.054 Uiso 1 1 calc R U . . .
C62 C 0.2599(6) 0.6191(5) 0.2369(3) 0.048(2) Uani 1 1 d . . . . .
H62 H 0.201744 0.606615 0.227014 0.057 Uiso 1 1 calc R U . . .
C64 C 0.2289(4) 0.5735(4) 0.3170(2) 0.0345(15) Uani 1 1 d . . . . .
H64 H 0.170633 0.559278 0.308228 0.041 Uiso 1 1 calc R U . . .
C66 C 0.2305(4) 0.5430(4) 0.4409(2) 0.0296(15) Uani 1 1 d . . . . .
H66 H 0.237672 0.595337 0.448100 0.036 Uiso 1 1 calc R U . . .
C68 C 1.0474(5) 0.3132(4) 0.4527(3) 0.0363(16) Uani 1 1 d . . . . .
H68 H 1.016526 0.324933 0.480474 0.044 Uiso 1 1 calc R U . . .
C70 C 0.6360(5) 0.4957(4) 0.4080(2) 0.0314(14) Uani 1 1 d . . . . .
H70 H 0.697501 0.484268 0.407019 0.038 Uiso 1 1 calc R U . . .
C72 C 0.5223(6) 0.2568(5) 0.3867(3) 0.051(2) Uani 1 1 d . . . . .
H72 H 0.569275 0.255091 0.408700 0.061 Uiso 1 1 calc R U . . .
C74 C 0.5105(6) 0.3179(4) 0.3591(3) 0.0423(18) Uani 1 1 d . . . . .
H74 H 0.549981 0.357381 0.362844 0.051 Uiso 1 1 calc R U . . .
C76 C 0.0993(5) 0.5769(5) 0.3916(3) 0.046(2) Uani 1 1 d . . . . .
H76A H 0.108854 0.628806 0.397682 0.056 Uiso 1 1 calc R U . . .
H76B H 0.071856 0.572053 0.360520 0.056 Uiso 1 1 calc R U . . .
C78 C 0.7625(5) 0.2038(4) 0.4245(3) 0.0398(17) Uani 1 1 d . . . . .
H78 H 0.728471 0.240604 0.438902 0.048 Uiso 1 1 calc R U . . .
C80 C 0.7702(5) 0.3423(4) 0.3468(3) 0.0406(17) Uani 1 1 d . . . . .
H80 H 0.731080 0.307995 0.360193 0.049 Uiso 1 1 calc R U . . .
C82 C 0.5330(5) 0.8420(4) 0.4145(3) 0.0397(17) Uani 1 1 d . . . . .
H82 H 0.477440 0.854750 0.401225 0.048 Uiso 1 1 calc R U . . .
C84 C 0.9987(5) 0.2993(4) 0.4123(3) 0.0326(15) Uani 1 1 d . . . . .
C86 C 1.0492(5) 0.2838(4) 0.3729(3) 0.0430(16) Uani 1 1 d . . . . .
H86 H 1.019474 0.275044 0.344367 0.052 Uiso 1 1 calc R U . . .
B1 B 0.8892(5) 0.3032(5) 0.4111(3) 0.0318(17) Uani 1 1 d . . . . .
C11 C 0.5144(4) 0.6681(4) 0.2858(2) 0.0303(14) Uani 1 1 d . . . . .
H11 H 0.555601 0.694458 0.267497 0.036 Uiso 1 1 calc R U . . .
C45 C 0.8434(6) 0.4646(4) 0.4950(3) 0.049(2) Uani 1 1 d . . . . .
H45 H 0.850395 0.515383 0.493486 0.059 Uiso 1 1 calc R U . . .
C23 C 0.1679(5) 0.5120(4) 0.4772(3) 0.0352(16) Uani 1 1 d . . . . .
H23A H 0.159021 0.460092 0.471093 0.042 Uiso 1 1 calc R U . . .
H23B H 0.194979 0.517065 0.508395 0.042 Uiso 1 1 calc R U . . .
C47 C 1.1429(5) 0.2808(4) 0.3739(4) 0.0505(19) Uani 1 1 d . . . . .
H47 H 1.174741 0.268966 0.346447 0.061 Uiso 1 1 calc R U . . .
C3 C 0.8785(5) 0.4418(4) 0.3066(3) 0.0389(16) Uani 1 1 d . . . . .
C49 C 0.7260(7) 0.1364(5) 0.4209(3) 0.050(2) Uani 1 1 d . . . . .
H49 H 0.668537 0.127477 0.433292 0.060 Uiso 1 1 calc R U . . .
C25 C 0.0787(5) 0.5500(4) 0.4765(3) 0.0451(18) Uani 1 1 d . . . . .
H25A H 0.086733 0.600855 0.485805 0.054 Uiso 1 1 calc R U . . .
H25B H 0.038413 0.526930 0.499284 0.054 Uiso 1 1 calc R U . . .
C51 C 1.1882(6) 0.2947(4) 0.4143(3) 0.049(2) Uani 1 1 d . . . . .
H51 H 1.251285 0.293535 0.415147 0.059 Uiso 1 1 calc R U . . .
C13 C 0.6684(4) 0.5868(4) 0.3535(3) 0.0321(15) Uani 1 1 d . . . . .
H13 H 0.674385 0.561062 0.323179 0.039 Uiso 1 1 calc R U . . .
C53 C 0.6883(6) 0.8665(5) 0.4228(3) 0.050(2) Uani 1 1 d . . . . .
H53 H 0.738891 0.895164 0.415994 0.060 Uiso 1 1 calc R U . . .
C27 C 0.8163(5) 0.4322(5) 0.5364(3) 0.0470(18) Uani 1 1 d . . . . .
H27 H 0.803136 0.460408 0.563060 0.056 Uiso 1 1 calc R U . . .
C55 C 0.7398(6) 0.3848(5) 0.3097(3) 0.052(2) Uani 1 1 d . . . . .
H55 H 0.680957 0.378436 0.298512 0.063 Uiso 1 1 calc R U . . .
C7 C 0.8290(5) 0.3176(4) 0.4991(3) 0.0377(16) Uani 1 1 d . . . . .
H7 H 0.824254 0.266764 0.501057 0.045 Uiso 1 1 calc R U . . .
C57 C 0.3156(5) 0.8380(4) 0.4746(4) 0.057(3) Uani 1 1 d . . . . .
H57 H 0.356364 0.852696 0.497941 0.069 Uiso 1 1 calc R U . . .
C29 C 0.7930(6) 0.4351(5) 0.2893(3) 0.0503(19) Uani 1 1 d . . . . .
H29 H 0.772456 0.464232 0.264376 0.060 Uiso 1 1 calc R U . . .
C59 C 0.8558(7) 0.0953(4) 0.3821(3) 0.052(2) Uani 1 1 d . . . . .
H59 H 0.889324 0.058623 0.367243 0.063 Uiso 1 1 calc R U . . .
C15 C 0.1555(6) 0.4001(6) 0.2752(3) 0.056(2) Uani 1 1 d . . . . .
H15 H 0.105511 0.392829 0.294711 0.067 Uiso 1 1 calc R U . . .
C61 C 0.0371(5) 0.5466(5) 0.4280(3) 0.051(2) Uani 1 1 d . . . . .
H61A H 0.022838 0.496049 0.420199 0.061 Uiso 1 1 calc R U . . .
H61B H -0.019069 0.574383 0.427816 0.061 Uiso 1 1 calc R U . . .
C31 C 0.7726(7) 0.0804(4) 0.3990(3) 0.055(2) Uani 1 1 d . . . . .
H31 H 0.747459 0.033767 0.396004 0.066 Uiso 1 1 calc R U . . .
C63 C 0.2732(5) 0.7574(5) 0.4144(3) 0.0440(18) Uani 1 1 d . . . . .
H63 H 0.284458 0.716532 0.395518 0.053 Uiso 1 1 calc R U . . .
C2 C 0.3023(6) 0.4178(5) 0.2181(3) 0.050(2) Uani 1 1 d . . . . .
H2 H 0.351916 0.423961 0.198086 0.060 Uiso 1 1 calc R U . . .
C65 C 0.4659(6) 0.1993(5) 0.3819(3) 0.053(2) Uani 1 1 d . . . . .
H65 H 0.472718 0.157970 0.401046 0.063 Uiso 1 1 calc R U . . .
C33 C 0.8910(6) 0.1640(4) 0.3867(3) 0.0423(18) Uani 1 1 d . . . . .
H33 H 0.948728 0.172398 0.374564 0.051 Uiso 1 1 calc R U . . .
C67 C 0.6846(5) 0.7079(4) 0.3138(3) 0.0363(16) Uani 1 1 d . . . . .
H67A H 0.656346 0.755573 0.309564 0.044 Uiso 1 1 calc R U . . .
H67B H 0.691811 0.685629 0.282818 0.044 Uiso 1 1 calc R U . . .
C17 C 1.1401(5) 0.3103(4) 0.4535(3) 0.046(2) Uani 1 1 d . . . . .
H17 H 1.170500 0.319281 0.481841 0.055 Uiso 1 1 calc R U . . .
C69 C 0.4006(6) 0.2020(4) 0.3497(4) 0.055(2) Uani 1 1 d . . . . .
H69 H 0.362404 0.161719 0.346058 0.066 Uiso 1 1 calc R U . . .
C35 C 0.7760(5) 0.7177(4) 0.3364(3) 0.048(2) Uani 1 1 d . . . . .
H35A H 0.814043 0.747965 0.316325 0.058 Uiso 1 1 calc R U . . .
H35B H 0.769432 0.742105 0.366837 0.058 Uiso 1 1 calc R U . . .
C71 C 0.6072(6) 0.8835(5) 0.4045(3) 0.0468(19) Uani 1 1 d . . . . .
H71 H 0.601622 0.924138 0.384766 0.056 Uiso 1 1 calc R U . . .
C9 C 0.5530(6) 0.3658(4) 0.4971(3) 0.047(2) Uani 1 1 d . . . . .
H9 H 0.574135 0.329185 0.517280 0.057 Uiso 1 1 calc R U . . .
C73 C 0.4381(6) 0.5913(6) 0.5707(4) 0.073(3) Uani 1 1 d . . . . .
H73 H 0.431038 0.541174 0.575996 0.087 Uiso 1 1 calc R U . . .
C37 C 0.7617(5) 0.5955(4) 0.3744(3) 0.0454(17) Uani 1 1 d . . . . .
H37A H 0.790342 0.547736 0.377103 0.054 Uiso 1 1 calc R U . . .
H37B H 0.757195 0.616532 0.405885 0.054 Uiso 1 1 calc R U . . .
C75 C 0.2169(7) 0.4180(6) 0.1995(3) 0.066(3) Uani 1 1 d . . . . .
H75 H 0.208683 0.423558 0.166902 0.079 Uiso 1 1 calc R U . . .
C19 C 0.1951(6) 0.7950(7) 0.4084(3) 0.061(3) Uani 1 1 d . . . . .
H19 H 0.152900 0.779412 0.385998 0.073 Uiso 1 1 calc R U . . .
C77 C 0.4626(7) 0.7106(7) 0.5991(3) 0.069(3) Uani 1 1 d . . . . .
H77 H 0.472230 0.742488 0.624411 0.082 Uiso 1 1 calc R U . . .
C39 C 0.4507(6) 0.6369(8) 0.6076(3) 0.072(3) Uani 1 1 d . . . . .
H39 H 0.451339 0.618815 0.638534 0.086 Uiso 1 1 calc R U . . .
C79 C 0.1455(6) 0.4104(6) 0.2278(3) 0.063(3) Uani 1 1 d . . . . .
H79 H 0.087525 0.412077 0.214836 0.075 Uiso 1 1 calc R U . . .
C5 C 0.6959(5) 0.8061(5) 0.4517(3) 0.0443(18) Uani 1 1 d . . . . .
H5 H 0.751981 0.792958 0.464245 0.053 Uiso 1 1 calc R U . . .
C81 C 0.1781(5) 0.8556(5) 0.4352(4) 0.058(3) Uani 1 1 d . . . . .
H81 H 0.125162 0.882395 0.430400 0.069 Uiso 1 1 calc R U . . .
C83 C 0.2375(6) 0.8767(5) 0.4683(4) 0.063(3) Uani 1 1 d . . . . .
H83 H 0.225611 0.917766 0.486929 0.076 Uiso 1 1 calc R U . . .
C21 C 0.5425(5) 0.4810(2) 0.2275(3) 0.091(5) Uani 1 1 d G . . . .
H21 H 0.518991 0.524103 0.240312 0.110 Uiso 1 1 calc R U . . .
C22 C 0.5156(3) 0.4147(3) 0.24480(17) 0.0372(17) Uani 1 1 d G . . . .
C46 C 0.5501(4) 0.3517(2) 0.22605(18) 0.0438(18) Uani 1 1 d G . . . .
H46 H 0.531666 0.306338 0.237870 0.053 Uiso 1 1 calc R U . . .
C43 C 0.6114(4) 0.3550(3) 0.19000(19) 0.053(2) Uani 1 1 d G . . . .
H43 H 0.634928 0.311911 0.177180 0.064 Uiso 1 1 calc R U . . .
C41 C 0.6383(4) 0.4213(4) 0.1727(2) 0.073(3) Uani 1 1 d G . . . .
H41 H 0.680223 0.423580 0.148056 0.088 Uiso 1 1 calc R U . . .
C85 C 0.6039(5) 0.4843(3) 0.1914(3) 0.101(5) Uani 1 1 d G . . . .
H85 H 0.622255 0.529677 0.179621 0.121 Uiso 1 1 calc R U . . .
O3 O 0.6170(6) 0.1025(4) 0.4339(3) 0.103(3) Uani 1 1 d D . . . .
H3A H 0.601430 0.105870 0.404760 0.123 Uiso 1 1 d D U . . .
H3B H 0.590780 0.139780 0.445570 0.123 Uiso 1 1 d D U . . .
Cl1 Cl 0.1999(3) 0.1142(3) 0.29849(16) 0.1256(15) Uani 1 1 d . . . . .
Cl2 Cl 0.1229(6) 0.0154(4) 0.3650(3) 0.221(4) Uani 1 1 d . . . . .
C87 C 0.1233(14) 0.0949(9) 0.3393(8) 0.153(9) Uani 1 1 d . . . . .
H87B H 0.128787 0.131659 0.364056 0.184 Uiso 1 1 calc R U . . .
H87A H 0.064188 0.101545 0.324887 0.184 Uiso 1 1 calc R U . . .
Cl3 Cl 0.9832(3) 0.1967(3) 0.24346(17) 0.1264(15) Uani 1 1 d . . . . .
C4 C 0.9086(10) 0.2666(8) 0.2529(4) 0.097(4) Uani 1 1 d . . . . .
H4A H 0.867500 0.253012 0.278306 0.116 Uiso 1 1 calc R U . . .
H4B H 0.941685 0.309922 0.262957 0.116 Uiso 1 1 calc R U . . .
Cl4 Cl 0.8520(6) 0.2855(6) 0.20721(17) 0.252(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.131(4) . ?
Dy1 O2 2.138(4) . ?
Dy1 N1 2.628(5) . ?
Dy1 N6 2.650(5) . ?
Dy1 N5 2.720(5) . ?
Dy1 N4 2.632(5) . ?
Dy1 N2 2.660(5) . ?
Dy1 N3 2.608(5) . ?
Br1 C3 1.925(8) . ?
Si1 O1 1.594(4) . ?
Si1 C88 1.864(7) . ?
Si1 C10 1.887(7) . ?
Si1 C36 1.881(7) . ?
Si2 O2 1.587(4) . ?
Si2 C16 1.885(7) . ?
Si2 C42 1.879(7) . ?
Si2 C22 1.907(4) . ?
N1 C6 1.335(9) . ?
N1 C8 1.333(9) . ?
N6 C12 1.258(9) . ?
N6 C66 1.468(9) . ?
N5 C52 1.466(8) . ?
N5 C64 1.263(9) . ?
N4 C44 1.353(9) . ?
N4 C48 1.344(9) . ?
N2 C70 1.273(8) . ?
N2 C13 1.463(9) . ?
C1 H1 1.0000 . ?
C1 N3 1.448(9) . ?
C1 C13 1.543(9) . ?
C1 C67 1.532(9) . ?
C88 C24 1.387(11) . ?
C88 C28 1.413(10) . ?
N3 C11 1.268(9) . ?
C6 C50 1.395(9) . ?
C6 C70 1.459(10) . ?
C8 C12 1.476(10) . ?
C8 C32 1.413(10) . ?
C10 C56 1.400(10) . ?
C10 C82 1.383(10) . ?
C12 H12 0.9500 . ?
C14 H14 0.9500 . ?
C14 C16 1.403(10) . ?
C14 C69 1.406(12) . ?
C16 C74 1.388(11) . ?
C18 H18 0.9500 . ?
C18 C20 1.365(12) . ?
C18 C62 1.375(12) . ?
C20 H20 0.9500 . ?
C20 C44 1.406(10) . ?
C24 H24 0.9500 . ?
C24 C73 1.389(12) . ?
C26 H26 0.9500 . ?
C26 C40 1.400(10) . ?
C26 C3 1.378(10) . ?
C28 H28 0.9500 . ?
C28 C77 1.384(13) . ?
C30 C34 1.395(10) . ?
C30 B1 1.633(11) . ?
C30 C7 1.408(10) . ?
C32 H32 0.9500 . ?
C32 C9 1.376(12) . ?
C34 H34 0.9500 . ?
C34 C45 1.361(11) . ?
C36 C57 1.408(11) . ?
C36 C63 1.378(10) . ?
C38 C78 1.404(11) . ?
C38 B1 1.646(11) . ?
C38 C33 1.393(10) . ?
C40 C80 1.395(10) . ?
C40 B1 1.666(10) . ?
C42 C54 1.377(11) . ?
C42 C2 1.396(11) . ?
C44 C11 1.462(10) . ?
C48 C62 1.401(10) . ?
C48 C64 1.449(10) . ?
C50 H50 0.9500 . ?
C50 C9 1.377(12) . ?
C52 H52 1.0000 . ?
C52 C66 1.540(9) . ?
C52 C76 1.530(10) . ?
C54 H54 0.9500 . ?
C54 C15 1.409(11) . ?
C56 H56 0.9500 . ?
C56 C5 1.382(11) . ?
C58 H58 0.9500 . ?
C58 C27 1.386(12) . ?
C58 C7 1.374(11) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C35 1.516(12) . ?
C60 C37 1.541(11) . ?
C62 H62 0.9500 . ?
C64 H64 0.9500 . ?
C66 H66 1.0000 . ?
C66 C23 1.520(9) . ?
C68 H68 0.9500 . ?
C68 C84 1.399(10) . ?
C68 C17 1.397(11) . ?
C70 H70 0.9500 . ?
C72 H72 0.9500 . ?
C72 C74 1.397(12) . ?
C72 C65 1.372(13) . ?
C74 H74 0.9500 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C61 1.512(11) . ?
C78 H78 0.9500 . ?
C78 C49 1.374(11) . ?
C80 H80 0.9500 . ?
C80 C55 1.405(11) . ?
C82 H82 0.9500 . ?
C82 C71 1.387(11) . ?
C84 C86 1.393(11) . ?
C84 B1 1.651(11) . ?
C86 H86 0.9500 . ?
C86 C47 1.413(11) . ?
C11 H11 0.9500 . ?
C45 H45 0.9500 . ?
C45 C27 1.395(12) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C25 1.517(11) . ?
C47 H47 0.9500 . ?
C47 C51 1.373(14) . ?
C3 C29 1.385(11) . ?
C49 H49 0.9500 . ?
C49 C31 1.404(13) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C61 1.533(12) . ?
C51 H51 0.9500 . ?
C51 C17 1.370(13) . ?
C13 H13 1.0000 . ?
C13 C37 1.537(10) . ?
C53 H53 0.9500 . ?
C53 C71 1.366(13) . ?
C53 C5 1.402(12) . ?
C27 H27 0.9500 . ?
C55 H55 0.9500 . ?
C55 C29 1.363(13) . ?
C7 H7 0.9500 . ?
C57 H57 0.9500 . ?
C57 C83 1.391(12) . ?
C29 H29 0.9500 . ?
C59 H59 0.9500 . ?
C59 C31 1.371(14) . ?
C59 C33 1.389(11) . ?
C15 H15 0.9500 . ?
C15 C79 1.384(13) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C31 H31 0.9500 . ?
C63 H63 0.9500 . ?
C63 C19 1.380(13) . ?
C2 H2 0.9500 . ?
C2 C75 1.394(13) . ?
C65 H65 0.9500 . ?
C65 C69 1.353(14) . ?
C33 H33 0.9500 . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C35 1.533(11) . ?
C17 H17 0.9500 . ?
C69 H69 0.9500 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C71 H71 0.9500 . ?
C9 H9 0.9500 . ?
C73 H73 0.9500 . ?
C73 C39 1.371(16) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C75 H75 0.9500 . ?
C75 C79 1.356(14) . ?
C19 H19 0.9500 . ?
C19 C81 1.388(15) . ?
C77 H77 0.9500 . ?
C77 C39 1.404(17) . ?
C39 H39 0.9500 . ?
C79 H79 0.9500 . ?
C5 H5 0.9500 . ?
C81 H81 0.9500 . ?
C81 C83 1.364(15) . ?
C83 H83 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.3900 . ?
C21 C85 1.3900 . ?
C22 C46 1.3900 . ?
C46 H46 0.9500 . ?
C46 C43 1.3900 . ?
C43 H43 0.9500 . ?
C43 C41 1.3900 . ?
C41 H41 0.9500 . ?
C41 C85 1.3900 . ?
C85 H85 0.9500 . ?
O3 H3A 0.8734 . ?
O3 H3B 0.8652 . ?
Cl1 C87 1.685(17) . ?
Cl2 C87 1.652(19) . ?
C87 H87B 0.9900 . ?
C87 H87A 0.9900 . ?
Cl3 C4 1.739(14) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 Cl4 1.606(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O2 175.4(2) . . ?
O1 Dy1 N1 95.67(17) . . ?
O1 Dy1 N6 83.84(17) . . ?
O1 Dy1 N5 97.34(19) . . ?
O1 Dy1 N4 102.07(17) . . ?
O1 Dy1 N2 91.50(18) . . ?
O1 Dy1 N3 81.89(18) . . ?
O2 Dy1 N1 83.91(17) . . ?
O2 Dy1 N6 99.87(18) . . ?
O2 Dy1 N5 86.86(19) . . ?
O2 Dy1 N4 78.47(18) . . ?
O2 Dy1 N2 84.29(18) . . ?
O2 Dy1 N3 94.49(18) . . ?
N1 Dy1 N6 61.19(17) . . ?
N1 Dy1 N5 117.30(18) . . ?
N1 Dy1 N4 162.24(17) . . ?
N1 Dy1 N2 61.60(17) . . ?
N6 Dy1 N5 59.78(17) . . ?
N6 Dy1 N2 121.73(17) . . ?
N4 Dy1 N6 119.68(17) . . ?
N4 Dy1 N5 59.93(17) . . ?
N4 Dy1 N2 118.07(17) . . ?
N2 Dy1 N5 171.15(16) . . ?
N3 Dy1 N1 122.53(17) . . ?
N3 Dy1 N6 165.55(16) . . ?
N3 Dy1 N5 119.96(17) . . ?
N3 Dy1 N4 61.68(17) . . ?
N3 Dy1 N2 61.09(16) . . ?
O1 Si1 C88 109.9(3) . . ?
O1 Si1 C10 112.8(3) . . ?
O1 Si1 C36 108.8(3) . . ?
C88 Si1 C10 108.0(3) . . ?
C88 Si1 C36 109.0(3) . . ?
C36 Si1 C10 108.3(3) . . ?
O2 Si2 C16 108.8(3) . . ?
O2 Si2 C42 110.9(3) . . ?
O2 Si2 C22 111.9(3) . . ?
C16 Si2 C22 109.6(3) . . ?
C42 Si2 C16 107.6(3) . . ?
C42 Si2 C22 108.0(3) . . ?
Si1 O1 Dy1 179.1(3) . . ?
Si2 O2 Dy1 172.0(3) . . ?
C6 N1 Dy1 120.9(4) . . ?
C8 N1 Dy1 120.8(4) . . ?
C8 N1 C6 118.2(6) . . ?
C12 N6 Dy1 121.4(5) . . ?
C12 N6 C66 119.9(6) . . ?
C66 N6 Dy1 118.7(4) . . ?
C52 N5 Dy1 122.7(4) . . ?
C64 N5 Dy1 117.3(4) . . ?
C64 N5 C52 117.7(6) . . ?
C44 N4 Dy1 119.8(4) . . ?
C48 N4 Dy1 120.8(4) . . ?
C48 N4 C44 117.6(6) . . ?
C70 N2 Dy1 119.3(4) . . ?
C70 N2 C13 118.9(6) . . ?
C13 N2 Dy1 121.4(4) . . ?
N3 C1 H1 107.5 . . ?
N3 C1 C13 106.6(5) . . ?
N3 C1 C67 116.2(6) . . ?
C13 C1 H1 107.5 . . ?
C67 C1 H1 107.5 . . ?
C67 C1 C13 111.1(6) . . ?
C24 C88 Si1 119.4(6) . . ?
C24 C88 C28 117.3(7) . . ?
C28 C88 Si1 123.3(6) . . ?
C1 N3 Dy1 117.8(4) . . ?
C11 N3 Dy1 121.4(4) . . ?
C11 N3 C1 120.7(6) . . ?
N1 C6 C50 122.7(6) . . ?
N1 C6 C70 116.2(6) . . ?
C50 C6 C70 121.1(7) . . ?
N1 C8 C12 116.5(6) . . ?
N1 C8 C32 122.5(7) . . ?
C32 C8 C12 120.9(6) . . ?
C56 C10 Si1 120.4(5) . . ?
C82 C10 Si1 122.2(5) . . ?
C82 C10 C56 117.3(6) . . ?
N6 C12 C8 119.2(6) . . ?
N6 C12 H12 120.4 . . ?
C8 C12 H12 120.4 . . ?
C16 C14 H14 120.0 . . ?
C16 C14 C69 120.0(8) . . ?
C69 C14 H14 120.0 . . ?
C14 C16 Si2 124.5(6) . . ?
C74 C16 Si2 118.6(6) . . ?
C74 C16 C14 116.8(7) . . ?
C20 C18 H18 120.1 . . ?
C20 C18 C62 119.7(7) . . ?
C62 C18 H18 120.1 . . ?
C18 C20 H20 120.7 . . ?
C18 C20 C44 118.6(7) . . ?
C44 C20 H20 120.7 . . ?
C88 C24 H24 118.9 . . ?
C88 C24 C73 122.2(9) . . ?
C73 C24 H24 118.9 . . ?
C40 C26 H26 119.4 . . ?
C3 C26 H26 119.4 . . ?
C3 C26 C40 121.2(7) . . ?
C88 C28 H28 119.7 . . ?
C77 C28 C88 120.6(9) . . ?
C77 C28 H28 119.7 . . ?
C34 C30 B1 120.4(6) . . ?
C34 C30 C7 114.4(7) . . ?
C7 C30 B1 125.0(6) . . ?
C8 C32 H32 120.7 . . ?
C9 C32 C8 118.6(7) . . ?
C9 C32 H32 120.7 . . ?
C30 C34 H34 118.0 . . ?
C45 C34 C30 124.1(8) . . ?
C45 C34 H34 118.0 . . ?
C57 C36 Si1 123.1(6) . . ?
C63 C36 Si1 119.9(6) . . ?
C63 C36 C57 117.0(7) . . ?
C78 C38 B1 122.9(6) . . ?
C33 C38 C78 113.5(7) . . ?
C33 C38 B1 123.6(7) . . ?
C26 C40 B1 122.2(6) . . ?
C80 C40 C26 115.8(6) . . ?
C80 C40 B1 121.8(7) . . ?
C54 C42 Si2 119.4(6) . . ?
C54 C42 C2 117.3(7) . . ?
C2 C42 Si2 123.3(6) . . ?
N4 C44 C20 122.5(7) . . ?
N4 C44 C11 115.2(6) . . ?
C20 C44 C11 122.3(6) . . ?
N4 C48 C62 122.4(7) . . ?
N4 C48 C64 115.1(6) . . ?
C62 C48 C64 122.4(7) . . ?
C6 C50 H50 120.4 . . ?
C9 C50 C6 119.1(7) . . ?
C9 C50 H50 120.4 . . ?
N5 C52 H52 108.2 . . ?
N5 C52 C66 107.7(5) . . ?
N5 C52 C76 114.7(6) . . ?
C66 C52 H52 108.2 . . ?
C76 C52 H52 108.2 . . ?
C76 C52 C66 109.7(6) . . ?
C42 C54 H54 118.8 . . ?
C42 C54 C15 122.4(8) . . ?
C15 C54 H54 118.8 . . ?
C10 C56 H56 119.2 . . ?
C5 C56 C10 121.5(7) . . ?
C5 C56 H56 119.2 . . ?
C27 C58 H58 119.9 . . ?
C7 C58 H58 119.9 . . ?
C7 C58 C27 120.2(8) . . ?
H60A C60 H60B 108.0 . . ?
C35 C60 H60A 109.3 . . ?
C35 C60 H60B 109.3 . . ?
C35 C60 C37 111.6(6) . . ?
C37 C60 H60A 109.3 . . ?
C37 C60 H60B 109.3 . . ?
C18 C62 C48 119.0(7) . . ?
C18 C62 H62 120.5 . . ?
C48 C62 H62 120.5 . . ?
N5 C64 C48 121.0(6) . . ?
N5 C64 H64 119.5 . . ?
C48 C64 H64 119.5 . . ?
N6 C66 C52 107.2(5) . . ?
N6 C66 H66 107.0 . . ?
N6 C66 C23 117.5(6) . . ?
C52 C66 H66 107.0 . . ?
C23 C66 C52 110.5(6) . . ?
C23 C66 H66 107.0 . . ?
C84 C68 H68 119.0 . . ?
C17 C68 H68 119.0 . . ?
C17 C68 C84 122.0(8) . . ?
N2 C70 C6 121.1(6) . . ?
N2 C70 H70 119.5 . . ?
C6 C70 H70 119.5 . . ?
C74 C72 H72 120.1 . . ?
C65 C72 H72 120.1 . . ?
C65 C72 C74 119.9(8) . . ?
C16 C74 C72 122.2(8) . . ?
C16 C74 H74 118.9 . . ?
C72 C74 H74 118.9 . . ?
C52 C76 H76A 109.4 . . ?
C52 C76 H76B 109.4 . . ?
H76A C76 H76B 108.0 . . ?
C61 C76 C52 111.3(7) . . ?
C61 C76 H76A 109.4 . . ?
C61 C76 H76B 109.4 . . ?
C38 C78 H78 118.2 . . ?
C49 C78 C38 123.5(8) . . ?
C49 C78 H78 118.2 . . ?
C40 C80 H80 119.0 . . ?
C40 C80 C55 122.0(8) . . ?
C55 C80 H80 119.0 . . ?
C10 C82 H82 119.2 . . ?
C10 C82 C71 121.5(7) . . ?
C71 C82 H82 119.2 . . ?
C68 C84 B1 122.2(7) . . ?
C86 C84 C68 115.2(7) . . ?
C86 C84 B1 122.6(7) . . ?
C84 C86 H86 118.7 . . ?
C84 C86 C47 122.5(8) . . ?
C47 C86 H86 118.7 . . ?
C30 B1 C38 113.8(6) . . ?
C30 B1 C40 107.0(6) . . ?
C30 B1 C84 108.1(6) . . ?
C38 B1 C40 108.2(6) . . ?
C38 B1 C84 109.9(6) . . ?
C84 B1 C40 109.7(6) . . ?
N3 C11 C44 120.4(6) . . ?
N3 C11 H11 119.8 . . ?
C44 C11 H11 119.8 . . ?
C34 C45 H45 120.1 . . ?
C34 C45 C27 119.8(8) . . ?
C27 C45 H45 120.1 . . ?
C66 C23 H23A 109.4 . . ?
C66 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C25 C23 C66 111.3(6) . . ?
C25 C23 H23A 109.4 . . ?
C25 C23 H23B 109.4 . . ?
C86 C47 H47 119.8 . . ?
C51 C47 C86 120.4(9) . . ?
C51 C47 H47 119.8 . . ?
C26 C3 Br1 118.3(6) . . ?
C26 C3 C29 122.7(7) . . ?
C29 C3 Br1 119.0(6) . . ?
C78 C49 H49 119.7 . . ?
C78 C49 C31 120.6(9) . . ?
C31 C49 H49 119.7 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 C61 110.8(6) . . ?
H25A C25 H25B 108.1 . . ?
C61 C25 H25A 109.5 . . ?
C61 C25 H25B 109.5 . . ?
C47 C51 H51 120.9 . . ?
C17 C51 C47 118.2(8) . . ?
C17 C51 H51 120.9 . . ?
N2 C13 C1 106.6(5) . . ?
N2 C13 H13 107.9 . . ?
N2 C13 C37 114.7(6) . . ?
C1 C13 H13 107.9 . . ?
C37 C13 C1 111.5(6) . . ?
C37 C13 H13 107.9 . . ?
C71 C53 H53 120.5 . . ?
C71 C53 C5 119.1(7) . . ?
C5 C53 H53 120.5 . . ?
C58 C27 C45 118.6(7) . . ?
C58 C27 H27 120.7 . . ?
C45 C27 H27 120.7 . . ?
C80 C55 H55 119.3 . . ?
C29 C55 C80 121.4(8) . . ?
C29 C55 H55 119.3 . . ?
C30 C7 H7 118.5 . . ?
C58 C7 C30 123.0(7) . . ?
C58 C7 H7 118.5 . . ?
C36 C57 H57 119.3 . . ?
C83 C57 C36 121.4(9) . . ?
C83 C57 H57 119.3 . . ?
C3 C29 H29 121.5 . . ?
C55 C29 C3 116.9(7) . . ?
C55 C29 H29 121.5 . . ?
C31 C59 H59 120.0 . . ?
C31 C59 C33 120.0(8) . . ?
C33 C59 H59 120.0 . . ?
C54 C15 H15 121.1 . . ?
C79 C15 C54 117.8(8) . . ?
C79 C15 H15 121.1 . . ?
C76 C61 C25 111.1(6) . . ?
C76 C61 H61A 109.4 . . ?
C76 C61 H61B 109.4 . . ?
C25 C61 H61A 109.4 . . ?
C25 C61 H61B 109.4 . . ?
H61A C61 H61B 108.0 . . ?
C49 C31 H31 121.1 . . ?
C59 C31 C49 117.8(8) . . ?
C59 C31 H31 121.1 . . ?
C36 C63 H63 119.0 . . ?
C36 C63 C19 122.0(9) . . ?
C19 C63 H63 119.0 . . ?
C42 C2 H2 119.4 . . ?
C75 C2 C42 121.2(8) . . ?
C75 C2 H2 119.4 . . ?
C72 C65 H65 120.4 . . ?
C69 C65 C72 119.3(8) . . ?
C69 C65 H65 120.4 . . ?
C38 C33 H33 117.7 . . ?
C59 C33 C38 124.5(8) . . ?
C59 C33 H33 117.7 . . ?
C1 C67 H67A 109.5 . . ?
C1 C67 H67B 109.5 . . ?
C1 C67 C35 110.9(6) . . ?
H67A C67 H67B 108.0 . . ?
C35 C67 H67A 109.5 . . ?
C35 C67 H67B 109.5 . . ?
C68 C17 H17 119.2 . . ?
C51 C17 C68 121.6(8) . . ?
C51 C17 H17 119.2 . . ?
C14 C69 H69 119.1 . . ?
C65 C69 C14 121.9(8) . . ?
C65 C69 H69 119.1 . . ?
C60 C35 C67 109.4(7) . . ?
C60 C35 H35A 109.8 . . ?
C60 C35 H35B 109.8 . . ?
C67 C35 H35A 109.8 . . ?
C67 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
C82 C71 H71 119.6 . . ?
C53 C71 C82 120.8(8) . . ?
C53 C71 H71 119.6 . . ?
C32 C9 C50 118.9(7) . . ?
C32 C9 H9 120.5 . . ?
C50 C9 H9 120.5 . . ?
C24 C73 H73 119.9 . . ?
C39 C73 C24 120.3(10) . . ?
C39 C73 H73 119.9 . . ?
C60 C37 H37A 109.6 . . ?
C60 C37 H37B 109.6 . . ?
C13 C37 C60 110.4(7) . . ?
C13 C37 H37A 109.6 . . ?
C13 C37 H37B 109.6 . . ?
H37A C37 H37B 108.1 . . ?
C2 C75 H75 120.0 . . ?
C79 C75 C2 120.0(8) . . ?
C79 C75 H75 120.0 . . ?
C63 C19 H19 120.1 . . ?
C63 C19 C81 119.9(9) . . ?
C81 C19 H19 120.1 . . ?
C28 C77 H77 119.7 . . ?
C28 C77 C39 120.7(10) . . ?
C39 C77 H77 119.7 . . ?
C73 C39 C77 119.0(9) . . ?
C73 C39 H39 120.5 . . ?
C77 C39 H39 120.5 . . ?
C15 C79 H79 119.4 . . ?
C75 C79 C15 121.3(9) . . ?
C75 C79 H79 119.4 . . ?
C56 C5 C53 119.7(7) . . ?
C56 C5 H5 120.1 . . ?
C53 C5 H5 120.1 . . ?
C19 C81 H81 120.0 . . ?
C83 C81 C19 120.0(8) . . ?
C83 C81 H81 120.0 . . ?
C57 C83 H83 120.1 . . ?
C81 C83 C57 119.8(9) . . ?
C81 C83 H83 120.1 . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C85 120.0 . . ?
C85 C21 H21 120.0 . . ?
C21 C22 Si2 120.2(3) . . ?
C21 C22 C46 120.0 . . ?
C46 C22 Si2 119.8(3) . . ?
C22 C46 H46 120.0 . . ?
C22 C46 C43 120.0 . . ?
C43 C46 H46 120.0 . . ?
C46 C43 H43 120.0 . . ?
C41 C43 C46 120.0 . . ?
C41 C43 H43 120.0 . . ?
C43 C41 H41 120.0 . . ?
C85 C41 C43 120.0 . . ?
C85 C41 H41 120.0 . . ?
C21 C85 H85 120.0 . . ?
C41 C85 C21 120.0 . . ?
C41 C85 H85 120.0 . . ?
H3A O3 H3B 101.0 . . ?
Cl1 C87 H87B 107.2 . . ?
Cl1 C87 H87A 107.2 . . ?
Cl2 C87 Cl1 120.3(10) . . ?
Cl2 C87 H87B 107.2 . . ?
Cl2 C87 H87A 107.2 . . ?
H87B C87 H87A 106.9 . . ?
Cl3 C4 H4A 109.2 . . ?
Cl3 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
Cl4 C4 Cl3 112.2(8) . . ?
Cl4 C4 H4A 109.2 . . ?
Cl4 C4 H4B 109.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C6 C50 -175.2(5) . . . . ?
Dy1 N1 C6 C70 5.6(8) . . . . ?
Dy1 N1 C8 C12 -9.0(8) . . . . ?
Dy1 N1 C8 C32 174.8(5) . . . . ?
Dy1 N6 C12 C8 6.2(8) . . . . ?
Dy1 N6 C66 C52 55.0(6) . . . . ?
Dy1 N6 C66 C23 -179.9(4) . . . . ?
Dy1 N5 C52 C66 25.2(7) . . . . ?
Dy1 N5 C52 C76 147.7(5) . . . . ?
Dy1 N5 C64 C48 -19.9(9) . . . . ?
Dy1 N4 C44 C20 167.2(5) . . . . ?
Dy1 N4 C44 C11 -12.7(8) . . . . ?
Dy1 N4 C48 C62 -164.9(6) . . . . ?
Dy1 N4 C48 C64 18.9(8) . . . . ?
Dy1 N2 C70 C6 -9.5(9) . . . . ?
Dy1 N2 C13 C1 31.3(7) . . . . ?
Dy1 N2 C13 C37 155.3(5) . . . . ?
Dy1 N3 C11 C44 4.7(9) . . . . ?
Br1 C3 C29 C55 178.9(7) . . . . ?
Si1 C88 C24 C73 -178.8(7) . . . . ?
Si1 C88 C28 C77 178.5(6) . . . . ?
Si1 C10 C56 C5 175.6(6) . . . . ?
Si1 C10 C82 C71 -176.4(6) . . . . ?
Si1 C36 C57 C83 -179.3(8) . . . . ?
Si1 C36 C63 C19 178.4(7) . . . . ?
Si2 C16 C74 C72 176.7(6) . . . . ?
Si2 C42 C54 C15 179.5(7) . . . . ?
Si2 C42 C2 C75 -178.8(8) . . . . ?
Si2 C22 C46 C43 178.6(4) . . . . ?
O1 Si1 C88 C24 -8.0(7) . . . . ?
O1 Si1 C88 C28 172.6(6) . . . . ?
O1 Si1 C10 C56 -82.6(6) . . . . ?
O1 Si1 C10 C82 93.4(6) . . . . ?
O1 Si1 C36 C57 175.7(7) . . . . ?
O1 Si1 C36 C63 -2.1(7) . . . . ?
O2 Si2 C16 C14 133.9(6) . . . . ?
O2 Si2 C16 C74 -43.6(6) . . . . ?
O2 Si2 C42 C54 -61.3(7) . . . . ?
O2 Si2 C42 C2 116.9(7) . . . . ?
N1 C6 C50 C9 0.1(11) . . . . ?
N1 C6 C70 N2 2.7(10) . . . . ?
N1 C8 C12 N6 1.9(10) . . . . ?
N1 C8 C32 C9 0.7(12) . . . . ?
N6 C66 C23 C25 179.3(6) . . . . ?
N5 C52 C66 N6 -48.2(7) . . . . ?
N5 C52 C66 C23 -177.4(5) . . . . ?
N5 C52 C76 C61 -178.5(6) . . . . ?
N4 C44 C11 N3 5.4(9) . . . . ?
N4 C48 C62 C18 0.1(12) . . . . ?
N4 C48 C64 N5 1.5(10) . . . . ?
N2 C13 C37 C60 -174.9(6) . . . . ?
C1 N3 C11 C44 -179.3(6) . . . . ?
C1 C13 C37 C60 -53.5(9) . . . . ?
C1 C67 C35 C60 58.7(9) . . . . ?
C88 Si1 C10 C56 39.0(6) . . . . ?
C88 Si1 C10 C82 -145.0(6) . . . . ?
C88 Si1 C36 C57 55.9(8) . . . . ?
C88 Si1 C36 C63 -122.0(6) . . . . ?
C88 C24 C73 C39 0.4(14) . . . . ?
C88 C28 C77 C39 0.1(13) . . . . ?
N3 C1 C13 N2 -52.7(7) . . . . ?
N3 C1 C13 C37 -178.6(6) . . . . ?
N3 C1 C67 C35 -178.4(6) . . . . ?
C6 N1 C8 C12 174.6(6) . . . . ?
C6 N1 C8 C32 -1.5(10) . . . . ?
C6 C50 C9 C32 -1.0(12) . . . . ?
C8 N1 C6 C50 1.2(10) . . . . ?
C8 N1 C6 C70 -178.0(6) . . . . ?
C8 C32 C9 C50 0.6(12) . . . . ?
C10 Si1 C88 C24 -131.4(6) . . . . ?
C10 Si1 C88 C28 49.2(7) . . . . ?
C10 Si1 C36 C57 -61.4(7) . . . . ?
C10 Si1 C36 C63 120.8(6) . . . . ?
C10 C56 C5 C53 1.3(12) . . . . ?
C10 C82 C71 C53 0.4(12) . . . . ?
C12 N6 C66 C52 -125.7(6) . . . . ?
C12 N6 C66 C23 -0.6(9) . . . . ?
C12 C8 C32 C9 -175.3(7) . . . . ?
C14 C16 C74 C72 -1.1(11) . . . . ?
C16 Si2 C42 C54 57.7(7) . . . . ?
C16 Si2 C42 C2 -124.2(7) . . . . ?
C16 C14 C69 C65 0.0(12) . . . . ?
C18 C20 C44 N4 -4.4(11) . . . . ?
C18 C20 C44 C11 175.5(7) . . . . ?
C20 C18 C62 C48 -2.2(13) . . . . ?
C20 C44 C11 N3 -174.5(7) . . . . ?
C24 C88 C28 C77 -0.9(11) . . . . ?
C24 C73 C39 C77 -1.2(15) . . . . ?
C26 C40 C80 C55 0.8(11) . . . . ?
C26 C40 B1 C30 90.7(8) . . . . ?
C26 C40 B1 C38 -146.2(6) . . . . ?
C26 C40 B1 C84 -26.3(9) . . . . ?
C26 C3 C29 C55 -1.2(13) . . . . ?
C28 C88 C24 C73 0.6(12) . . . . ?
C28 C77 C39 C73 0.9(14) . . . . ?
C30 C34 C45 C27 -3.8(13) . . . . ?
C32 C8 C12 N6 178.1(7) . . . . ?
C34 C30 B1 C38 -158.3(6) . . . . ?
C34 C30 B1 C40 -38.8(9) . . . . ?
C34 C30 B1 C84 79.3(8) . . . . ?
C34 C30 C7 C58 -1.0(11) . . . . ?
C34 C45 C27 C58 1.6(13) . . . . ?
C36 Si1 C88 C24 111.1(6) . . . . ?
C36 Si1 C88 C28 -68.3(6) . . . . ?
C36 Si1 C10 C56 156.9(6) . . . . ?
C36 Si1 C10 C82 -27.1(6) . . . . ?
C36 C57 C83 C81 0.7(16) . . . . ?
C36 C63 C19 C81 1.1(14) . . . . ?
C38 C78 C49 C31 -1.3(12) . . . . ?
C40 C26 C3 Br1 -178.4(5) . . . . ?
C40 C26 C3 C29 1.7(12) . . . . ?
C40 C80 C55 C29 -0.4(14) . . . . ?
C42 Si2 C16 C14 13.7(7) . . . . ?
C42 Si2 C16 C74 -163.8(6) . . . . ?
C42 C54 C15 C79 -2.2(14) . . . . ?
C42 C2 C75 C79 0.9(16) . . . . ?
C44 N4 C48 C62 -0.1(10) . . . . ?
C44 N4 C48 C64 -176.3(6) . . . . ?
C48 N4 C44 C20 2.3(10) . . . . ?
C48 N4 C44 C11 -177.6(6) . . . . ?
C50 C6 C70 N2 -176.4(7) . . . . ?
C52 N5 C64 C48 176.6(6) . . . . ?
C52 C66 C23 C25 -57.3(8) . . . . ?
C52 C76 C61 C25 56.4(9) . . . . ?
C54 C42 C2 C75 -0.5(13) . . . . ?
C54 C15 C79 C75 2.5(16) . . . . ?
C56 C10 C82 C71 -0.3(11) . . . . ?
C62 C18 C20 C44 4.3(13) . . . . ?
C62 C48 C64 N5 -174.7(7) . . . . ?
C64 N5 C52 C66 -172.3(6) . . . . ?
C64 N5 C52 C76 -49.8(9) . . . . ?
C64 C48 C62 C18 176.0(8) . . . . ?
C66 N6 C12 C8 -173.1(6) . . . . ?
C66 C52 C76 C61 -57.1(8) . . . . ?
C66 C23 C25 C61 56.1(8) . . . . ?
C68 C84 C86 C47 1.4(11) . . . . ?
C68 C84 B1 C30 17.7(9) . . . . ?
C68 C84 B1 C38 -107.1(8) . . . . ?
C68 C84 B1 C40 134.0(7) . . . . ?
C70 N2 C13 C1 -156.4(6) . . . . ?
C70 N2 C13 C37 -32.4(9) . . . . ?
C70 C6 C50 C9 179.2(7) . . . . ?
C72 C65 C69 C14 -1.3(13) . . . . ?
C74 C72 C65 C69 1.4(13) . . . . ?
C76 C52 C66 N6 -173.7(6) . . . . ?
C76 C52 C66 C23 57.1(8) . . . . ?
C78 C38 B1 C30 32.5(9) . . . . ?
C78 C38 B1 C40 -86.3(8) . . . . ?
C78 C38 B1 C84 153.9(7) . . . . ?
C78 C38 C33 C59 -0.5(11) . . . . ?
C78 C49 C31 C59 0.9(12) . . . . ?
C80 C40 B1 C30 -83.1(8) . . . . ?
C80 C40 B1 C38 40.0(9) . . . . ?
C80 C40 B1 C84 159.9(7) . . . . ?
C80 C55 C29 C3 0.6(14) . . . . ?
C82 C10 C56 C5 -0.6(11) . . . . ?
C84 C68 C17 C51 1.0(12) . . . . ?
C84 C86 C47 C51 -1.4(12) . . . . ?
C86 C84 B1 C30 -160.7(6) . . . . ?
C86 C84 B1 C38 74.5(9) . . . . ?
C86 C84 B1 C40 -44.4(10) . . . . ?
C86 C47 C51 C17 1.1(12) . . . . ?
B1 C30 C34 C45 -172.2(7) . . . . ?
B1 C30 C7 C58 174.3(7) . . . . ?
B1 C38 C78 C49 178.1(7) . . . . ?
B1 C38 C33 C59 -177.5(7) . . . . ?
B1 C40 C80 C55 174.9(7) . . . . ?
B1 C84 C86 C47 179.8(7) . . . . ?
C23 C25 C61 C76 -55.4(9) . . . . ?
C47 C51 C17 C68 -1.0(12) . . . . ?
C3 C26 C40 C80 -1.4(10) . . . . ?
C3 C26 C40 B1 -175.6(7) . . . . ?
C13 N2 C70 C6 178.1(6) . . . . ?
C13 C1 N3 Dy1 55.3(6) . . . . ?
C13 C1 N3 C11 -120.8(7) . . . . ?
C13 C1 C67 C35 -56.3(8) . . . . ?
C27 C58 C7 C30 -0.8(12) . . . . ?
C7 C30 C34 C45 3.4(11) . . . . ?
C7 C30 B1 C38 26.7(9) . . . . ?
C7 C30 B1 C40 146.2(7) . . . . ?
C7 C30 B1 C84 -95.8(8) . . . . ?
C7 C58 C27 C45 0.6(13) . . . . ?
C57 C36 C63 C19 0.5(12) . . . . ?
C31 C59 C33 C38 0.1(13) . . . . ?
C63 C36 C57 C83 -1.4(13) . . . . ?
C63 C19 C81 C83 -1.9(14) . . . . ?
C2 C42 C54 C15 1.2(12) . . . . ?
C2 C75 C79 C15 -1.9(18) . . . . ?
C65 C72 C74 C16 -0.2(12) . . . . ?
C33 C38 C78 C49 1.1(10) . . . . ?
C33 C38 B1 C30 -150.8(7) . . . . ?
C33 C38 B1 C40 90.4(8) . . . . ?
C33 C38 B1 C84 -29.4(10) . . . . ?
C33 C59 C31 C49 -0.3(12) . . . . ?
C67 C1 N3 Dy1 179.8(4) . . . . ?
C67 C1 N3 C11 3.7(9) . . . . ?
C67 C1 C13 N2 179.8(6) . . . . ?
C67 C1 C13 C37 53.8(8) . . . . ?
C17 C68 C84 C86 -1.2(10) . . . . ?
C17 C68 C84 B1 -179.6(7) . . . . ?
C69 C14 C16 Si2 -176.4(6) . . . . ?
C69 C14 C16 C74 1.2(10) . . . . ?
C35 C60 C37 C13 57.0(10) . . . . ?
C71 C53 C5 C56 -1.2(12) . . . . ?
C37 C60 C35 C67 -59.2(9) . . . . ?
C19 C81 C83 C57 1.0(15) . . . . ?
C5 C53 C71 C82 0.3(13) . . . . ?
C21 C22 C46 C43 0.0 . . . . ?
C22 Si2 C16 C14 -103.5(6) . . . . ?
C22 Si2 C16 C74 79.0(6) . . . . ?
C22 Si2 C42 C54 175.8(6) . . . . ?
C22 Si2 C42 C2 -6.0(7) . . . . ?
C22 C21 C85 C41 0.0 . . . . ?
C22 C46 C43 C41 0.0 . . . . ?
C46 C43 C41 C85 0.0 . . . . ?
C43 C41 C85 C21 0.0 . . . . ?
C85 C21 C22 Si2 -178.6(4) . . . . ?
C85 C21 C22 C46 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2178779'
loop_
_audit_author_name
_audit_author_address
'shuting Liu'
;Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_audit_creation_date             2022-03-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H48 Dy N6 O2 Si2, C2 H3 N, C F3 O3 S'
_chemical_formula_sum            'C69 H51 Dy F3 N7 O5 S Si2'
_chemical_formula_weight         1365.91
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.5018(6)
_cell_length_b                   15.2412(7)
_cell_length_c                   15.9892(7)
_cell_angle_alpha                76.6110(10)
_cell_angle_beta                 77.9940(10)
_cell_angle_gamma                68.9270(10)
_cell_volume                     3177.6(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8281
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      25.081
_cell_measurement_theta_min      2.422
_shelx_estimated_absorpt_T_max   0.974
_shelx_estimated_absorpt_T_min   0.880
_exptl_absorpt_coefficient_mu    1.311
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0808 before and 0.0676 after correction.
The Ratio of minimum to maximum transmission is 0.9178.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1382
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0831
_diffrn_reflns_av_unetI/netI     0.0952
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            44030
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.069
_diffrn_reflns_theta_min         2.126
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8477
_reflns_number_total             12380
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.703
_refine_diff_density_min         -1.062
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       0.0025(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         12380
_refine_ls_number_restraints     146
_refine_ls_R_factor_all          0.1016
_refine_ls_R_factor_gt           0.0541
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0419P)²+6.6484P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1307
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F6-O3 \\sim F1-O7
 with sigma of 0.04
 F4-S1 \\sim F2-S2
 with sigma of 0.02
 F4-O3 \\sim F2-O7
 with sigma of 0.04
 F6-S1 \\sim F1-S2
 with sigma of 0.04
 S1-O5 \\sim S2-O6
 with sigma of 0.02
 S1-O3 \\sim S2-O7
 with sigma of 0.02
 S1-O4 \\sim S2-O8
 with sigma of 0.02
 O5-O3 \\sim O6-O7
 with sigma of 0.04
 F4-F6 \\sim F2-F1
 with sigma of 0.04
 F4-O5 \\sim F2-O6
 with sigma of 0.04
 F4-O4 \\sim F2-O8
 with sigma of 0.04
 C17-F5 \\sim C69-F3
 with sigma of 0.04
 C17-F4 \\sim C69-F2
 with sigma of 0.04
 C17-F6 \\sim C69-F1
 with sigma of 0.04
 F6-O5 \\sim F1-O6
 with sigma of 0.04
 C17-S1 \\sim C69-S2
 with sigma of 0.04
 F6-O4 \\sim F1-O8
 with sigma of 0.04
 C17-O5 \\sim C69-O6
 with sigma of 0.04
 C17-O3 \\sim C69-O7
 with sigma of 0.04
 C17-O4 \\sim C69-O8
 with sigma of 0.04
 O5-O4 \\sim O6-O8
 with sigma of 0.04
 F5-F4 \\sim F3-F2
 with sigma of 0.04
 F5-F6 \\sim F3-F1
 with sigma of 0.04
 O3-O4 \\sim O7-O8
 with sigma of 0.04
 F5-S1 \\sim F3-S2
 with sigma of 0.04
 F5-O5 \\sim F3-O6
 with sigma of 0.04
 F5-O3 \\sim F3-O7
 with sigma of 0.04
 F5-O4 \\sim F3-O8
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C69) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F2) \\sim Ueq, Uanis(C69) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 S2, C69, O6, O8, O7, F3, F2, F1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S1, C17, F5, F4, F6, O5, O3, O4
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Sof(S2)=Sof(C69)=Sof(F3)=Sof(F2)=Sof(F1)=Sof(O6)=Sof(O8)=Sof(O7)=1-FVAR(1)
 Sof(C17)=Sof(F5)=Sof(F4)=Sof(F6)=Sof(S1)=Sof(O5)=Sof(O3)=Sof(O4)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C18(H18), C26(H26), C28(H28), C30(H30), C34(H34), C38(H38), C40(H40),
 C42(H42), C46(H46), C48(H48), C50(H50), C52(H52), C54(H54), C60(H60), C62(H62),
  C64(H64), C66(H66), C35(H35), C9(H9), C37(H37), C19(H19), C39(H39), C5(H5),
 C41(H41), C21(H21), C43(H43), C11(H11), C45(H45), C23(H23), C47(H47), C3(H3),
 C49(H49), C25(H25), C51(H51), C13(H13), C53(H53), C27(H27), C55(H55), C7(H7),
 C57(H57), C29(H29), C59(H59), C15(H15), C61(H61), C31(H31), C63(H63), C2(H2),
 C65(H65)
6.b Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.59682(2) 0.33220(2) 0.26276(2) 0.03300(12) Uani 1 1 d . . . . .
Si2 Si 0.82594(12) 0.38874(12) 0.24905(10) 0.0358(4) Uani 1 1 d . . . . .
Si1 Si 0.39257(12) 0.23302(12) 0.29474(10) 0.0346(4) Uani 1 1 d . . . . .
O1 O 0.4781(3) 0.2810(3) 0.2599(2) 0.0371(10) Uani 1 1 d . . . . .
O2 O 0.7181(3) 0.3764(3) 0.2699(2) 0.0353(9) Uani 1 1 d . . . . .
N1 N 0.6001(3) 0.4392(3) 0.1054(3) 0.0313(11) Uani 1 1 d . . . . .
N5 N 0.4776(3) 0.4048(3) 0.3970(3) 0.0326(11) Uani 1 1 d . . . . .
N3 N 0.7133(3) 0.1469(3) 0.2856(3) 0.0319(11) Uani 1 1 d . . . . .
N6 N 0.4699(4) 0.5100(3) 0.2373(3) 0.0333(11) Uani 1 1 d . . . . .
N2 N 0.7022(3) 0.2503(3) 0.1263(3) 0.0349(12) Uani 1 1 d . . . . .
N4 N 0.6225(3) 0.2385(3) 0.4226(3) 0.0335(11) Uani 1 1 d . . . . .
C1 C 0.7588(4) 0.0989(4) 0.2185(4) 0.0358(14) Uani 1 1 d . . . . .
C4 C 0.9011(4) 0.3305(4) 0.1537(4) 0.0366(14) Uani 1 1 d . . . . .
C6 C 0.5740(4) 0.2817(4) 0.4963(4) 0.0352(14) Uani 1 1 d . . . . .
C8 C 0.8946(4) 0.3286(4) 0.3455(4) 0.0378(14) Uani 1 1 d . . . . .
C10 C 0.6676(4) 0.4050(4) 0.0406(4) 0.0363(14) Uani 1 1 d . . . . .
C12 C 0.4917(4) 0.3657(4) 0.4807(4) 0.0351(14) Uani 1 1 d . . . . .
C14 C 0.3642(4) 0.2181(4) 0.4167(4) 0.0365(14) Uani 1 1 d . . . . .
C16 C 0.7530(4) 0.1509(4) 0.1335(4) 0.0388(15) Uani 1 1 d . . . . .
C18 C 0.8453(5) 0.2955(4) 0.4238(4) 0.0409(15) Uani 1 1 d . . . . .
H18 H 0.776608 0.303393 0.427793 0.049 Uiso 1 1 calc R U . . .
C20 C 0.8122(5) 0.5185(4) 0.2208(4) 0.0392(15) Uani 1 1 d . . . . .
C22 C 0.7177(4) 0.0960(4) 0.3653(4) 0.0350(14) Uani 1 1 d . . . . .
C24 C 0.4296(5) 0.4079(5) 0.5531(4) 0.0419(16) Uani 1 1 d . . . . .
C26 C 0.2488(5) 0.2736(5) 0.1809(4) 0.0457(16) Uani 1 1 d . . . . .
H26 H 0.282675 0.209911 0.171303 0.055 Uiso 1 1 calc R U . . .
C28 C 0.8639(5) 0.5627(5) 0.2530(4) 0.0533(18) Uani 1 1 d . . . . .
H28 H 0.909938 0.525560 0.292432 0.064 Uiso 1 1 calc R U . . .
C30 C 0.6650(4) 0.1472(4) 0.4368(4) 0.0366(14) Uani 1 1 d . . . . .
H30 H 0.661861 0.113061 0.494569 0.044 Uiso 1 1 calc R U . . .
C32 C 0.4737(4) 0.5739(4) 0.1570(4) 0.0343(14) Uani 1 1 d . . . . .
C34 C 0.6306(5) 0.5528(5) -0.0571(4) 0.0435(16) Uani 1 1 d . . . . .
H34 H 0.640890 0.590176 -0.112468 0.052 Uiso 1 1 calc R U . . .
C36 C 0.2785(4) 0.3056(4) 0.2425(4) 0.0379(15) Uani 1 1 d . . . . .
C38 C 0.6856(5) 0.4588(5) -0.0411(4) 0.0440(16) Uani 1 1 d . . . . .
H38 H 0.735548 0.430080 -0.084563 0.053 Uiso 1 1 calc R U . . .
C40 C 0.2867(5) 0.2830(5) 0.4616(4) 0.0492(17) Uani 1 1 d . . . . .
H40 H 0.240969 0.335040 0.429836 0.059 Uiso 1 1 calc R U . . .
C42 C 0.7236(4) 0.3041(4) 0.0564(4) 0.0382(15) Uani 1 1 d . . . . .
H42 H 0.777016 0.277602 0.014272 0.046 Uiso 1 1 calc R U . . .
C44 C 0.4366(5) 0.1107(4) 0.2651(4) 0.0383(15) Uani 1 1 d . . . . .
C46 C 0.5995(5) 0.2482(4) 0.5786(4) 0.0418(16) Uani 1 1 d . . . . .
H46 H 0.657471 0.194488 0.588460 0.050 Uiso 1 1 calc R U . . .
C48 C 0.4203(5) 0.6687(4) 0.1436(4) 0.0420(16) Uani 1 1 d . . . . .
H48 H 0.373972 0.695538 0.189863 0.050 Uiso 1 1 calc R U . . .
C50 C 0.4274(5) 0.1415(5) 0.4673(4) 0.0451(16) Uani 1 1 d . . . . .
H50 H 0.479173 0.094224 0.439370 0.054 Uiso 1 1 calc R U . . .
C52 C 0.2251(5) 0.4005(5) 0.2524(4) 0.0438(16) Uani 1 1 d . . . . .
H52 H 0.242962 0.426696 0.292639 0.053 Uiso 1 1 calc R U . . .
C54 C 0.9210(5) 0.3812(5) 0.0702(4) 0.0448(16) Uani 1 1 d . . . . .
H54 H 0.898727 0.448995 0.060895 0.054 Uiso 1 1 calc R U . . .
C56 C 0.5586(4) 0.5942(4) 0.0084(4) 0.0384(15) Uani 1 1 d . . . . .
C58 C 0.5458(4) 0.5340(4) 0.0891(4) 0.0342(14) Uani 1 1 d . . . . .
C60 C 0.8489(6) 0.6601(6) 0.2282(5) 0.066(2) Uani 1 1 d . . . . .
H60 H 0.884907 0.688339 0.250903 0.079 Uiso 1 1 calc R U . . .
C62 C 0.1467(5) 0.4584(5) 0.2056(4) 0.0514(18) Uani 1 1 d . . . . .
H62 H 0.110960 0.521738 0.215415 0.062 Uiso 1 1 calc R U . . .
C64 C 0.9357(5) 0.2321(5) 0.1627(4) 0.0483(17) Uani 1 1 d . . . . .
H64 H 0.924127 0.195491 0.218187 0.058 Uiso 1 1 calc R U . . .
C66 C 0.1221(5) 0.4222(5) 0.1451(5) 0.0519(18) Uani 1 1 d . . . . .
H66 H 0.070033 0.461410 0.111987 0.062 Uiso 1 1 calc R U . . .
C68 C 0.8115(5) -0.0012(4) 0.2315(4) 0.0412(15) Uani 1 1 d . . . . .
C70 C 0.3986(5) 0.4830(4) 0.3844(4) 0.0385(15) Uani 1 1 d . . . . .
C35 C 0.3451(5) 0.4874(5) 0.5354(4) 0.0499(18) Uani 1 1 d . . . . .
H35 H 0.300098 0.515849 0.581484 0.060 Uiso 1 1 calc R U . . .
C9 C 0.4317(5) 0.7277(5) 0.0637(4) 0.0455(16) Uani 1 1 d . . . . .
H9 H 0.391633 0.793101 0.055669 0.055 Uiso 1 1 calc R U . . .
C37 C 0.5003(5) 0.6913(5) -0.0026(4) 0.0485(17) Uani 1 1 d . . . . .
H37 H 0.508761 0.731782 -0.056464 0.058 Uiso 1 1 calc R U . . .
C19 C 0.5287(5) 0.0785(5) 0.2136(4) 0.0504(17) Uani 1 1 d . . . . .
H19 H 0.568628 0.118860 0.194214 0.061 Uiso 1 1 calc R U . . .
C39 C 0.7686(5) -0.0040(4) 0.3839(4) 0.0449(16) Uani 1 1 d . . . . .
H39 H 0.769889 -0.036876 0.442130 0.054 Uiso 1 1 calc R U . . .
C5 C 0.3279(5) 0.5239(5) 0.4508(4) 0.0496(17) Uani 1 1 d . . . . .
H5 H 0.269287 0.575561 0.437735 0.060 Uiso 1 1 calc R U . . .
C41 C 0.3952(4) 0.5343(4) 0.2955(4) 0.0389(15) Uani 1 1 d . . . . .
H41 H 0.337194 0.585860 0.280750 0.047 Uiso 1 1 calc R U . . .
C21 C 0.7465(5) 0.5776(5) 0.1629(5) 0.0531(18) Uani 1 1 d . . . . .
H21 H 0.710214 0.550846 0.138862 0.064 Uiso 1 1 calc R U . . .
C43 C 0.8154(5) -0.0514(5) 0.3165(4) 0.0470(17) Uani 1 1 d . . . . .
H43 H 0.850313 -0.118027 0.327026 0.056 Uiso 1 1 calc R U . . .
C11 C 0.4169(6) 0.1321(5) 0.5569(4) 0.0542(19) Uani 1 1 d . . . . .
H11 H 0.462153 0.080205 0.589223 0.065 Uiso 1 1 calc R U . . .
C45 C 0.1719(5) 0.3306(5) 0.1325(5) 0.0560(19) Uani 1 1 d . . . . .
H45 H 0.154418 0.305695 0.091084 0.067 Uiso 1 1 calc R U . . .
C23 C 0.8932(6) 0.2513(5) 0.4961(4) 0.0559(19) Uani 1 1 d . . . . .
H23 H 0.857014 0.230069 0.548871 0.067 Uiso 1 1 calc R U . . .
C47 C 0.2749(5) 0.2735(6) 0.5511(4) 0.0565(19) Uani 1 1 d . . . . .
H47 H 0.221337 0.318799 0.579850 0.068 Uiso 1 1 calc R U . . .
C3 C 0.4552(6) 0.3683(5) 0.6366(4) 0.0485(17) Uani 1 1 d . . . . .
H3 H 0.413087 0.394108 0.685222 0.058 Uiso 1 1 calc R U . . .
C49 C 0.5630(6) -0.0117(6) 0.1904(5) 0.063(2) Uani 1 1 d . . . . .
H49 H 0.626824 -0.033357 0.157319 0.075 Uiso 1 1 calc R U . . .
C25 C 0.8556(5) -0.0462(5) 0.1583(5) 0.0522(18) Uani 1 1 d . . . . .
H25 H 0.892572 -0.112405 0.165735 0.063 Uiso 1 1 calc R U . . .
C51 C 0.9729(5) 0.3337(5) 0.0011(4) 0.060(2) Uani 1 1 d . . . . .
H51 H 0.985556 0.369059 -0.054852 0.072 Uiso 1 1 calc R U . . .
C13 C 0.3793(5) 0.0500(5) 0.2904(4) 0.0513(18) Uani 1 1 d . . . . .
H13 H 0.316522 0.069770 0.325409 0.062 Uiso 1 1 calc R U . . .
C53 C 0.5404(6) 0.2927(5) 0.6485(4) 0.0510(18) Uani 1 1 d . . . . .
H53 H 0.560055 0.269779 0.704751 0.061 Uiso 1 1 calc R U . . .
C27 C 0.5044(7) -0.0687(6) 0.2155(5) 0.069(2) Uani 1 1 d . . . . .
H27 H 0.527157 -0.129562 0.198487 0.083 Uiso 1 1 calc R U . . .
C55 C 0.7942(5) 0.1047(5) 0.0637(4) 0.0527(18) Uani 1 1 d . . . . .
H55 H 0.788610 0.139447 0.006333 0.063 Uiso 1 1 calc R U . . .
C7 C 0.4128(6) -0.0390(5) 0.2650(5) 0.064(2) Uani 1 1 d . . . . .
H7 H 0.372544 -0.079143 0.281818 0.076 Uiso 1 1 calc R U . . .
C57 C 0.9862(6) 0.1851(5) 0.0944(5) 0.061(2) Uani 1 1 d . . . . .
H57 H 1.007567 0.117350 0.103034 0.073 Uiso 1 1 calc R U . . .
N7 N 0.1829(6) 0.9756(6) 0.4226(5) 0.088(2) Uani 1 1 d . . . . .
C29 C 0.9960(5) 0.3114(6) 0.3430(4) 0.060(2) Uani 1 1 d . . . . .
H29 H 1.033572 0.330165 0.290101 0.072 Uiso 1 1 calc R U . . .
C59 C 0.3404(6) 0.1987(5) 0.5988(4) 0.0545(19) Uani 1 1 d . . . . .
H59 H 0.332895 0.193089 0.660053 0.065 Uiso 1 1 calc R U . . .
C15 C 0.9926(6) 0.2379(5) 0.4923(5) 0.063(2) Uani 1 1 d . . . . .
H15 H 1.025450 0.208259 0.542183 0.075 Uiso 1 1 calc R U . . .
C61 C 0.7832(7) 0.7153(6) 0.1718(6) 0.071(2) Uani 1 1 d . . . . .
H61 H 0.773250 0.781777 0.155621 0.085 Uiso 1 1 calc R U . . .
C31 C 0.8450(5) 0.0052(5) 0.0773(5) 0.060(2) Uani 1 1 d . . . . .
H31 H 0.872369 -0.026425 0.028626 0.072 Uiso 1 1 calc R U . . .
C63 C 1.0058(6) 0.2356(5) 0.0141(5) 0.064(2) Uani 1 1 d . . . . .
H63 H 1.041953 0.202995 -0.032681 0.076 Uiso 1 1 calc R U . . .
C2 C 1.0435(6) 0.2676(6) 0.4159(5) 0.067(2) Uani 1 1 d . . . . .
H2 H 1.112526 0.258290 0.412416 0.081 Uiso 1 1 calc R U . . .
C65 C 0.7326(6) 0.6753(5) 0.1393(5) 0.068(2) Uani 1 1 d . . . . .
H65 H 0.687011 0.713840 0.099870 0.082 Uiso 1 1 calc R U . . .
C33 C 0.1108(9) 1.0107(7) 0.3990(7) 0.096(3) Uani 1 1 d . . . . .
C67 C 0.0098(10) 1.0521(10) 0.3728(10) 0.196(8) Uani 1 1 d . . . . .
H67A H 0.004870 1.017298 0.330331 0.294 Uiso 1 1 calc R U . . .
H67B H -0.002452 1.119438 0.346682 0.294 Uiso 1 1 calc R U . . .
H67C H -0.039949 1.046946 0.423874 0.294 Uiso 1 1 calc R U . . .
C17 C 0.124(2) 0.751(2) 0.228(2) 0.052(3) Uani 0.557(6) 1 d D . P A 1
F5 F 0.1733(8) 0.7168(8) 0.1478(6) 0.102(3) Uani 0.557(6) 1 d D . P A 1
F4 F 0.0208(7) 0.7539(8) 0.2453(10) 0.113(4) Uani 0.557(6) 1 d D . P A 1
F6 F 0.1741(8) 0.6793(7) 0.2986(6) 0.113(4) Uani 0.557(6) 1 d D . P A 1
S1 S 0.1463(7) 0.8385(6) 0.2239(7) 0.124(3) Uani 0.557(6) 1 d D . P A 1
O5 O 0.2222(9) 0.8562(9) 0.2207(12) 0.122(5) Uani 0.557(6) 1 d D . P A 1
O3 O 0.0917(7) 0.9177(6) 0.1562(7) 0.070(3) Uani 0.557(6) 1 d D . P A 1
O4 O 0.0807(13) 0.8884(10) 0.2974(8) 0.123(5) Uani 0.557(6) 1 d D . P A 1
S2 S 0.1205(5) 0.7351(5) 0.2301(5) 0.0399(17) Uani 0.443(6) 1 d D . P A 2
C69 C 0.1534(16) 0.8109(16) 0.2299(15) 0.046(3) Uani 0.443(6) 1 d D U P A 2
F3 F 0.2257(8) 0.7860(11) 0.2862(8) 0.109(4) Uani 0.443(6) 1 d D . P A 2
F2 F 0.0700(11) 0.9050(10) 0.2474(14) 0.143(6) Uani 0.443(6) 1 d D U P A 2
F1 F 0.2076(12) 0.8446(12) 0.1424(9) 0.156(6) Uani 0.443(6) 1 d D . P A 2
O6 O 0.1804(10) 0.6513(10) 0.2222(14) 0.114(5) Uani 0.443(6) 1 d D . P A 2
O8 O 0.0541(13) 0.7484(11) 0.1692(12) 0.112(5) Uani 0.443(6) 1 d D . P A 2
O7 O 0.0488(14) 0.7189(15) 0.3063(11) 0.134(6) Uani 0.443(6) 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.142(4) . ?
Dy1 O2 2.129(4) . ?
Dy1 N1 2.665(4) . ?
Dy1 N5 2.646(4) . ?
Dy1 N3 2.704(4) . ?
Dy1 N6 2.667(5) . ?
Dy1 N2 2.676(4) . ?
Dy1 N4 2.652(4) . ?
Si2 O2 1.599(4) . ?
Si2 C4 1.882(6) . ?
Si2 C8 1.881(6) . ?
Si2 C20 1.870(6) . ?
Si1 O1 1.600(4) . ?
Si1 C14 1.885(6) . ?
Si1 C36 1.869(6) . ?
Si1 C44 1.880(6) . ?
N1 C10 1.328(7) . ?
N1 C58 1.367(7) . ?
N5 C12 1.359(7) . ?
N5 C70 1.332(7) . ?
N3 C1 1.358(7) . ?
N3 C22 1.330(7) . ?
N6 C32 1.424(7) . ?
N6 C41 1.275(7) . ?
N2 C16 1.415(7) . ?
N2 C42 1.277(7) . ?
N4 C6 1.414(7) . ?
N4 C30 1.289(7) . ?
C1 C16 1.408(8) . ?
C1 C68 1.427(8) . ?
C4 C54 1.408(8) . ?
C4 C64 1.382(8) . ?
C6 C12 1.415(8) . ?
C6 C46 1.373(8) . ?
C8 C18 1.388(8) . ?
C8 C29 1.392(9) . ?
C10 C38 1.402(8) . ?
C10 C42 1.446(8) . ?
C12 C24 1.435(8) . ?
C14 C40 1.396(8) . ?
C14 C50 1.399(8) . ?
C16 C55 1.373(8) . ?
C18 H18 0.9500 . ?
C18 C23 1.382(9) . ?
C20 C28 1.402(9) . ?
C20 C21 1.392(9) . ?
C22 C30 1.457(8) . ?
C22 C39 1.424(8) . ?
C24 C35 1.403(9) . ?
C24 C3 1.399(9) . ?
C26 H26 0.9500 . ?
C26 C36 1.394(8) . ?
C26 C45 1.396(9) . ?
C28 H28 0.9500 . ?
C28 C60 1.392(10) . ?
C30 H30 0.9500 . ?
C32 C48 1.362(8) . ?
C32 C58 1.420(8) . ?
C34 H34 0.9500 . ?
C34 C38 1.359(8) . ?
C34 C56 1.401(8) . ?
C36 C52 1.402(9) . ?
C38 H38 0.9500 . ?
C40 H40 0.9500 . ?
C40 C47 1.386(9) . ?
C42 H42 0.9500 . ?
C44 C19 1.400(9) . ?
C44 C13 1.396(9) . ?
C46 H46 0.9500 . ?
C46 C53 1.406(9) . ?
C48 H48 0.9500 . ?
C48 C9 1.398(8) . ?
C50 H50 0.9500 . ?
C50 C11 1.388(9) . ?
C52 H52 0.9500 . ?
C52 C62 1.398(9) . ?
C54 H54 0.9500 . ?
C54 C51 1.395(9) . ?
C56 C58 1.420(8) . ?
C56 C37 1.407(9) . ?
C60 H60 0.9500 . ?
C60 C61 1.363(11) . ?
C62 H62 0.9500 . ?
C62 C66 1.378(9) . ?
C64 H64 0.9500 . ?
C64 C57 1.377(9) . ?
C66 H66 0.9500 . ?
C66 C45 1.362(9) . ?
C68 C43 1.398(9) . ?
C68 C25 1.412(8) . ?
C70 C5 1.401(8) . ?
C70 C41 1.456(8) . ?
C35 H35 0.9500 . ?
C35 C5 1.376(9) . ?
C9 H9 0.9500 . ?
C9 C37 1.363(9) . ?
C37 H37 0.9500 . ?
C19 H19 0.9500 . ?
C19 C49 1.393(9) . ?
C39 H39 0.9500 . ?
C39 C43 1.359(9) . ?
C5 H5 0.9500 . ?
C41 H41 0.9500 . ?
C21 H21 0.9500 . ?
C21 C65 1.400(10) . ?
C43 H43 0.9500 . ?
C11 H11 0.9500 . ?
C11 C59 1.381(10) . ?
C45 H45 0.9500 . ?
C23 H23 0.9500 . ?
C23 C15 1.372(10) . ?
C47 H47 0.9500 . ?
C47 C59 1.379(10) . ?
C3 H3 0.9500 . ?
C3 C53 1.365(9) . ?
C49 H49 0.9500 . ?
C49 C27 1.367(11) . ?
C25 H25 0.9500 . ?
C25 C31 1.356(10) . ?
C51 H51 0.9500 . ?
C51 C63 1.375(10) . ?
C13 H13 0.9500 . ?
C13 C7 1.394(9) . ?
C53 H53 0.9500 . ?
C27 H27 0.9500 . ?
C27 C7 1.375(11) . ?
C55 H55 0.9500 . ?
C55 C31 1.415(9) . ?
C7 H7 0.9500 . ?
C57 H57 0.9500 . ?
C57 C63 1.367(10) . ?
N7 C33 1.091(10) . ?
C29 H29 0.9500 . ?
C29 C2 1.386(9) . ?
C59 H59 0.9500 . ?
C15 H15 0.9500 . ?
C15 C2 1.361(10) . ?
C61 H61 0.9500 . ?
C61 C65 1.344(11) . ?
C31 H31 0.9500 . ?
C63 H63 0.9500 . ?
C2 H2 0.9500 . ?
C65 H65 0.9500 . ?
C33 C67 1.480(15) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C17 F5 1.44(3) . ?
C17 F4 1.45(3) . ?
C17 F6 1.49(3) . ?
C17 S1 1.47(2) . ?
S1 O5 1.213(12) . ?
S1 O3 1.523(13) . ?
S1 O4 1.514(14) . ?
S2 C69 1.40(2) . ?
S2 O6 1.278(14) . ?
S2 O8 1.441(14) . ?
S2 O7 1.464(15) . ?
C69 F3 1.41(3) . ?
C69 F2 1.55(2) . ?
C69 F1 1.53(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N1 99.32(14) . . ?
O1 Dy1 N5 83.26(14) . . ?
O1 Dy1 N3 86.36(14) . . ?
O1 Dy1 N6 88.78(15) . . ?
O1 Dy1 N2 90.40(14) . . ?
O1 Dy1 N4 92.32(14) . . ?
O2 Dy1 O1 177.05(15) . . ?
O2 Dy1 N1 83.22(14) . . ?
O2 Dy1 N5 96.75(14) . . ?
O2 Dy1 N3 91.09(14) . . ?
O2 Dy1 N6 93.80(14) . . ?
O2 Dy1 N2 89.56(14) . . ?
O2 Dy1 N4 85.15(14) . . ?
N1 Dy1 N3 119.99(13) . . ?
N1 Dy1 N6 60.03(14) . . ?
N1 Dy1 N2 60.74(14) . . ?
N5 Dy1 N1 120.53(14) . . ?
N5 Dy1 N3 119.48(14) . . ?
N5 Dy1 N6 60.65(14) . . ?
N5 Dy1 N2 173.66(15) . . ?
N5 Dy1 N4 60.19(14) . . ?
N6 Dy1 N3 175.06(14) . . ?
N6 Dy1 N2 119.72(14) . . ?
N2 Dy1 N3 59.52(14) . . ?
N4 Dy1 N1 168.35(14) . . ?
N4 Dy1 N3 60.91(14) . . ?
N4 Dy1 N6 120.23(14) . . ?
N4 Dy1 N2 120.03(14) . . ?
O2 Si2 C4 110.4(2) . . ?
O2 Si2 C8 109.2(2) . . ?
O2 Si2 C20 109.6(2) . . ?
C8 Si2 C4 107.9(3) . . ?
C20 Si2 C4 108.1(3) . . ?
C20 Si2 C8 111.5(3) . . ?
O1 Si1 C14 110.6(2) . . ?
O1 Si1 C36 110.1(2) . . ?
O1 Si1 C44 109.6(3) . . ?
C36 Si1 C14 111.4(3) . . ?
C36 Si1 C44 107.7(3) . . ?
C44 Si1 C14 107.3(3) . . ?
Si1 O1 Dy1 159.0(2) . . ?
Si2 O2 Dy1 160.3(2) . . ?
C10 N1 Dy1 119.7(4) . . ?
C10 N1 C58 116.1(5) . . ?
C58 N1 Dy1 123.4(3) . . ?
C12 N5 Dy1 123.2(4) . . ?
C70 N5 Dy1 120.1(4) . . ?
C70 N5 C12 116.7(5) . . ?
C1 N3 Dy1 122.7(4) . . ?
C22 N3 Dy1 119.7(4) . . ?
C22 N3 C1 117.0(5) . . ?
C32 N6 Dy1 122.8(3) . . ?
C41 N6 Dy1 118.1(4) . . ?
C41 N6 C32 118.5(5) . . ?
C16 N2 Dy1 122.5(4) . . ?
C42 N2 Dy1 118.1(4) . . ?
C42 N2 C16 117.9(5) . . ?
C6 N4 Dy1 121.8(4) . . ?
C30 N4 Dy1 120.7(4) . . ?
C30 N4 C6 116.4(5) . . ?
N3 C1 C16 118.1(5) . . ?
N3 C1 C68 122.3(5) . . ?
C16 C1 C68 119.6(5) . . ?
C54 C4 Si2 124.0(5) . . ?
C64 C4 Si2 119.6(5) . . ?
C64 C4 C54 116.4(6) . . ?
N4 C6 C12 114.7(5) . . ?
C46 C6 N4 125.6(6) . . ?
C46 C6 C12 119.6(5) . . ?
C18 C8 Si2 120.4(5) . . ?
C18 C8 C29 116.1(6) . . ?
C29 C8 Si2 123.4(5) . . ?
N1 C10 C38 124.6(6) . . ?
N1 C10 C42 116.5(5) . . ?
C38 C10 C42 118.9(5) . . ?
N5 C12 C6 118.0(5) . . ?
N5 C12 C24 122.9(5) . . ?
C6 C12 C24 119.0(5) . . ?
C40 C14 Si1 124.0(5) . . ?
C40 C14 C50 116.4(6) . . ?
C50 C14 Si1 119.4(5) . . ?
C1 C16 N2 116.1(5) . . ?
C55 C16 N2 123.8(6) . . ?
C55 C16 C1 120.1(6) . . ?
C8 C18 H18 119.0 . . ?
C23 C18 C8 122.0(6) . . ?
C23 C18 H18 119.0 . . ?
C28 C20 Si2 125.1(5) . . ?
C21 C20 Si2 118.9(5) . . ?
C21 C20 C28 116.0(6) . . ?
N3 C22 C30 116.7(5) . . ?
N3 C22 C39 124.2(5) . . ?
C39 C22 C30 119.1(5) . . ?
C35 C24 C12 117.2(5) . . ?
C3 C24 C12 119.3(6) . . ?
C3 C24 C35 123.6(6) . . ?
C36 C26 H26 118.4 . . ?
C36 C26 C45 123.2(6) . . ?
C45 C26 H26 118.4 . . ?
C20 C28 H28 119.4 . . ?
C60 C28 C20 121.2(7) . . ?
C60 C28 H28 119.4 . . ?
N4 C30 C22 120.7(5) . . ?
N4 C30 H30 119.7 . . ?
C22 C30 H30 119.7 . . ?
C48 C32 N6 125.4(5) . . ?
C48 C32 C58 119.3(6) . . ?
C58 C32 N6 115.1(5) . . ?
C38 C34 H34 120.2 . . ?
C38 C34 C56 119.6(6) . . ?
C56 C34 H34 120.2 . . ?
C26 C36 Si1 121.7(5) . . ?
C26 C36 C52 114.8(6) . . ?
C52 C36 Si1 122.8(5) . . ?
C10 C38 H38 120.5 . . ?
C34 C38 C10 119.0(6) . . ?
C34 C38 H38 120.5 . . ?
C14 C40 H40 119.1 . . ?
C47 C40 C14 121.8(7) . . ?
C47 C40 H40 119.1 . . ?
N2 C42 C10 121.0(5) . . ?
N2 C42 H42 119.5 . . ?
C10 C42 H42 119.5 . . ?
C19 C44 Si1 120.1(5) . . ?
C13 C44 Si1 122.4(5) . . ?
C13 C44 C19 117.5(6) . . ?
C6 C46 H46 119.7 . . ?
C6 C46 C53 120.5(6) . . ?
C53 C46 H46 119.7 . . ?
C32 C48 H48 119.0 . . ?
C32 C48 C9 122.0(6) . . ?
C9 C48 H48 119.0 . . ?
C14 C50 H50 118.9 . . ?
C11 C50 C14 122.2(6) . . ?
C11 C50 H50 118.9 . . ?
C36 C52 H52 118.6 . . ?
C62 C52 C36 122.9(6) . . ?
C62 C52 H52 118.6 . . ?
C4 C54 H54 119.4 . . ?
C51 C54 C4 121.2(6) . . ?
C51 C54 H54 119.4 . . ?
C34 C56 C58 117.4(6) . . ?
C34 C56 C37 123.0(6) . . ?
C37 C56 C58 119.6(6) . . ?
N1 C58 C32 117.9(5) . . ?
N1 C58 C56 123.2(5) . . ?
C56 C58 C32 118.8(5) . . ?
C28 C60 H60 119.6 . . ?
C61 C60 C28 120.8(8) . . ?
C61 C60 H60 119.6 . . ?
C52 C62 H62 120.4 . . ?
C66 C62 C52 119.1(6) . . ?
C66 C62 H62 120.4 . . ?
C4 C64 H64 118.7 . . ?
C57 C64 C4 122.5(6) . . ?
C57 C64 H64 118.7 . . ?
C62 C66 H66 119.8 . . ?
C45 C66 C62 120.4(6) . . ?
C45 C66 H66 119.8 . . ?
C43 C68 C1 118.5(6) . . ?
C43 C68 C25 122.5(6) . . ?
C25 C68 C1 118.9(6) . . ?
N5 C70 C5 124.6(6) . . ?
N5 C70 C41 115.8(5) . . ?
C5 C70 C41 119.1(6) . . ?
C24 C35 H35 120.2 . . ?
C5 C35 C24 119.6(6) . . ?
C5 C35 H35 120.2 . . ?
C48 C9 H9 120.0 . . ?
C37 C9 C48 119.9(6) . . ?
C37 C9 H9 120.0 . . ?
C56 C37 H37 119.8 . . ?
C9 C37 C56 120.4(6) . . ?
C9 C37 H37 119.8 . . ?
C44 C19 H19 119.4 . . ?
C49 C19 C44 121.3(7) . . ?
C49 C19 H19 119.4 . . ?
C22 C39 H39 120.7 . . ?
C43 C39 C22 118.5(6) . . ?
C43 C39 H39 120.7 . . ?
C70 C5 H5 120.8 . . ?
C35 C5 C70 118.5(6) . . ?
C35 C5 H5 120.8 . . ?
N6 C41 C70 120.2(5) . . ?
N6 C41 H41 119.9 . . ?
C70 C41 H41 119.9 . . ?
C20 C21 H21 119.2 . . ?
C20 C21 C65 121.7(7) . . ?
C65 C21 H21 119.2 . . ?
C68 C43 H43 120.3 . . ?
C39 C43 C68 119.4(6) . . ?
C39 C43 H43 120.3 . . ?
C50 C11 H11 120.2 . . ?
C59 C11 C50 119.6(7) . . ?
C59 C11 H11 120.2 . . ?
C26 C45 H45 120.2 . . ?
C66 C45 C26 119.5(7) . . ?
C66 C45 H45 120.2 . . ?
C18 C23 H23 119.8 . . ?
C15 C23 C18 120.4(6) . . ?
C15 C23 H23 119.8 . . ?
C40 C47 H47 119.8 . . ?
C59 C47 C40 120.3(7) . . ?
C59 C47 H47 119.8 . . ?
C24 C3 H3 119.9 . . ?
C53 C3 C24 120.2(6) . . ?
C53 C3 H3 119.9 . . ?
C19 C49 H49 120.2 . . ?
C27 C49 C19 119.6(7) . . ?
C27 C49 H49 120.2 . . ?
C68 C25 H25 120.0 . . ?
C31 C25 C68 120.0(6) . . ?
C31 C25 H25 120.0 . . ?
C54 C51 H51 120.1 . . ?
C63 C51 C54 119.8(6) . . ?
C63 C51 H51 120.1 . . ?
C44 C13 H13 119.5 . . ?
C7 C13 C44 121.0(7) . . ?
C7 C13 H13 119.5 . . ?
C46 C53 H53 119.5 . . ?
C3 C53 C46 121.0(6) . . ?
C3 C53 H53 119.5 . . ?
C49 C27 H27 119.6 . . ?
C49 C27 C7 120.8(7) . . ?
C7 C27 H27 119.6 . . ?
C16 C55 H55 120.1 . . ?
C16 C55 C31 119.8(6) . . ?
C31 C55 H55 120.1 . . ?
C13 C7 H7 120.1 . . ?
C27 C7 C13 119.8(7) . . ?
C27 C7 H7 120.1 . . ?
C64 C57 H57 119.9 . . ?
C63 C57 C64 120.2(7) . . ?
C63 C57 H57 119.9 . . ?
C8 C29 H29 119.2 . . ?
C2 C29 C8 121.6(6) . . ?
C2 C29 H29 119.2 . . ?
C11 C59 H59 120.2 . . ?
C47 C59 C11 119.6(6) . . ?
C47 C59 H59 120.2 . . ?
C23 C15 H15 120.5 . . ?
C2 C15 C23 118.9(7) . . ?
C2 C15 H15 120.5 . . ?
C60 C61 H61 120.2 . . ?
C65 C61 C60 119.7(8) . . ?
C65 C61 H61 120.2 . . ?
C25 C31 C55 121.5(6) . . ?
C25 C31 H31 119.3 . . ?
C55 C31 H31 119.3 . . ?
C51 C63 H63 120.0 . . ?
C57 C63 C51 119.9(6) . . ?
C57 C63 H63 120.0 . . ?
C29 C2 H2 119.6 . . ?
C15 C2 C29 120.9(7) . . ?
C15 C2 H2 119.6 . . ?
C21 C65 H65 119.7 . . ?
C61 C65 C21 120.7(8) . . ?
C61 C65 H65 119.7 . . ?
N7 C33 C67 174.9(14) . . ?
C33 C67 H67A 109.5 . . ?
C33 C67 H67B 109.5 . . ?
C33 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
F5 C17 F4 112(2) . . ?
F5 C17 F6 106.5(19) . . ?
F5 C17 S1 106.1(18) . . ?
F4 C17 F6 105.8(19) . . ?
F4 C17 S1 119(2) . . ?
S1 C17 F6 106.9(18) . . ?
C17 S1 O3 109.9(13) . . ?
C17 S1 O4 108.6(14) . . ?
O5 S1 C17 134.4(16) . . ?
O5 S1 O3 102.9(10) . . ?
O5 S1 O4 101.0(12) . . ?
O4 S1 O3 91.8(8) . . ?
C69 S2 O8 118.0(12) . . ?
C69 S2 O7 113.4(11) . . ?
O6 S2 C69 122.6(13) . . ?
O6 S2 O8 100.5(10) . . ?
O6 S2 O7 103.8(13) . . ?
O8 S2 O7 94.0(11) . . ?
S2 C69 F3 112.6(16) . . ?
S2 C69 F2 115.2(18) . . ?
S2 C69 F1 114.1(16) . . ?
F3 C69 F2 110.0(18) . . ?
F3 C69 F1 102.6(16) . . ?
F1 C69 F2 101.1(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C10 C38 -170.5(5) . . . . ?
Dy1 N1 C10 C42 11.2(7) . . . . ?
Dy1 N1 C58 C32 -9.2(7) . . . . ?
Dy1 N1 C58 C56 170.3(4) . . . . ?
Dy1 N5 C12 C6 -0.4(7) . . . . ?
Dy1 N5 C12 C24 176.9(4) . . . . ?
Dy1 N5 C70 C5 176.1(5) . . . . ?
Dy1 N5 C70 C41 -12.0(7) . . . . ?
Dy1 N3 C1 C16 6.6(7) . . . . ?
Dy1 N3 C1 C68 -173.3(4) . . . . ?
Dy1 N3 C22 C30 -5.4(7) . . . . ?
Dy1 N3 C22 C39 173.6(4) . . . . ?
Dy1 N6 C32 C48 -170.6(5) . . . . ?
Dy1 N6 C32 C58 4.2(7) . . . . ?
Dy1 N6 C41 C70 23.2(7) . . . . ?
Dy1 N2 C16 C1 -10.0(7) . . . . ?
Dy1 N2 C16 C55 169.3(5) . . . . ?
Dy1 N2 C42 C10 -19.9(7) . . . . ?
Dy1 N4 C6 C12 17.1(7) . . . . ?
Dy1 N4 C6 C46 -163.8(5) . . . . ?
Dy1 N4 C30 C22 12.6(7) . . . . ?
Si2 C4 C54 C51 -176.7(5) . . . . ?
Si2 C4 C64 C57 176.3(6) . . . . ?
Si2 C8 C18 C23 -179.7(5) . . . . ?
Si2 C8 C29 C2 179.4(6) . . . . ?
Si2 C20 C28 C60 179.9(5) . . . . ?
Si2 C20 C21 C65 179.8(5) . . . . ?
Si1 C14 C40 C47 -173.7(5) . . . . ?
Si1 C14 C50 C11 172.9(5) . . . . ?
Si1 C36 C52 C62 172.4(5) . . . . ?
Si1 C44 C19 C49 -179.7(5) . . . . ?
Si1 C44 C13 C7 177.9(5) . . . . ?
O1 Si1 C14 C40 95.7(5) . . . . ?
O1 Si1 C14 C50 -79.6(5) . . . . ?
O1 Si1 C36 C26 108.9(5) . . . . ?
O1 Si1 C36 C52 -61.6(6) . . . . ?
O1 Si1 C44 C19 -4.8(6) . . . . ?
O1 Si1 C44 C13 177.1(5) . . . . ?
O2 Si2 C4 C54 106.1(5) . . . . ?
O2 Si2 C4 C64 -70.5(5) . . . . ?
O2 Si2 C8 C18 -9.6(6) . . . . ?
O2 Si2 C8 C29 168.0(6) . . . . ?
O2 Si2 C20 C28 134.5(5) . . . . ?
O2 Si2 C20 C21 -46.0(5) . . . . ?
N1 C10 C38 C34 -0.6(10) . . . . ?
N1 C10 C42 N2 6.1(8) . . . . ?
N5 C12 C24 C35 6.8(9) . . . . ?
N5 C12 C24 C3 -173.7(6) . . . . ?
N5 C70 C5 C35 6.9(10) . . . . ?
N5 C70 C41 N6 -7.8(9) . . . . ?
N3 C1 C16 N2 2.1(8) . . . . ?
N3 C1 C16 C55 -177.2(6) . . . . ?
N3 C1 C68 C43 0.6(9) . . . . ?
N3 C1 C68 C25 179.0(6) . . . . ?
N3 C22 C30 N4 -4.6(8) . . . . ?
N3 C22 C39 C43 -0.6(9) . . . . ?
N6 C32 C48 C9 177.0(6) . . . . ?
N6 C32 C58 N1 3.1(7) . . . . ?
N6 C32 C58 C56 -176.4(5) . . . . ?
N2 C16 C55 C31 179.0(6) . . . . ?
N4 C6 C12 N5 -10.6(8) . . . . ?
N4 C6 C12 C24 172.0(5) . . . . ?
N4 C6 C46 C53 -174.5(6) . . . . ?
C1 N3 C22 C30 -177.4(5) . . . . ?
C1 N3 C22 C39 1.6(9) . . . . ?
C1 C16 C55 C31 -1.8(10) . . . . ?
C1 C68 C43 C39 0.4(9) . . . . ?
C1 C68 C25 C31 -1.9(10) . . . . ?
C4 Si2 O2 Dy1 3.9(8) . . . . ?
C4 Si2 C8 C18 -129.7(5) . . . . ?
C4 Si2 C8 C29 47.9(6) . . . . ?
C4 Si2 C20 C28 -105.1(5) . . . . ?
C4 Si2 C20 C21 74.4(5) . . . . ?
C4 C54 C51 C63 -0.2(11) . . . . ?
C4 C64 C57 C63 1.3(11) . . . . ?
C6 N4 C30 C22 -179.5(5) . . . . ?
C6 C12 C24 C35 -175.9(6) . . . . ?
C6 C12 C24 C3 3.7(9) . . . . ?
C6 C46 C53 C3 1.8(10) . . . . ?
C8 Si2 O2 Dy1 -114.7(7) . . . . ?
C8 Si2 C4 C54 -134.5(5) . . . . ?
C8 Si2 C4 C64 48.9(6) . . . . ?
C8 Si2 C20 C28 13.3(6) . . . . ?
C8 Si2 C20 C21 -167.2(5) . . . . ?
C8 C18 C23 C15 -0.7(11) . . . . ?
C8 C29 C2 C15 1.5(13) . . . . ?
C10 N1 C58 C32 -179.2(5) . . . . ?
C10 N1 C58 C56 0.3(8) . . . . ?
C12 N5 C70 C5 -3.3(9) . . . . ?
C12 N5 C70 C41 168.6(5) . . . . ?
C12 C6 C46 C53 4.5(9) . . . . ?
C12 C24 C35 C5 -3.0(10) . . . . ?
C12 C24 C3 C53 2.6(10) . . . . ?
C14 Si1 O1 Dy1 12.8(8) . . . . ?
C14 Si1 C36 C26 -128.0(5) . . . . ?
C14 Si1 C36 C52 61.5(6) . . . . ?
C14 Si1 C44 C19 -125.0(5) . . . . ?
C14 Si1 C44 C13 57.0(6) . . . . ?
C14 C40 C47 C59 0.1(11) . . . . ?
C14 C50 C11 C59 1.7(10) . . . . ?
C16 N2 C42 C10 173.5(5) . . . . ?
C16 C1 C68 C43 -179.3(6) . . . . ?
C16 C1 C68 C25 -0.9(9) . . . . ?
C16 C55 C31 C25 -1.0(11) . . . . ?
C18 C8 C29 C2 -2.8(11) . . . . ?
C18 C23 C15 C2 -0.8(12) . . . . ?
C20 Si2 O2 Dy1 122.8(7) . . . . ?
C20 Si2 C4 C54 -13.8(6) . . . . ?
C20 Si2 C4 C64 169.6(5) . . . . ?
C20 Si2 C8 C18 111.7(5) . . . . ?
C20 Si2 C8 C29 -70.6(6) . . . . ?
C20 C28 C60 C61 0.1(11) . . . . ?
C20 C21 C65 C61 0.3(11) . . . . ?
C22 N3 C1 C16 178.4(5) . . . . ?
C22 N3 C1 C68 -1.5(8) . . . . ?
C22 C39 C43 C68 -0.5(9) . . . . ?
C24 C35 C5 C70 -3.3(10) . . . . ?
C24 C3 C53 C46 -5.4(10) . . . . ?
C26 C36 C52 C62 1.3(9) . . . . ?
C28 C20 C21 C65 -0.6(10) . . . . ?
C28 C60 C61 C65 -0.4(12) . . . . ?
C30 N4 C6 C12 -150.7(5) . . . . ?
C30 N4 C6 C46 28.4(9) . . . . ?
C30 C22 C39 C43 178.4(6) . . . . ?
C32 N6 C41 C70 -165.7(5) . . . . ?
C32 C48 C9 C37 -2.3(10) . . . . ?
C34 C56 C58 N1 0.3(9) . . . . ?
C34 C56 C58 C32 179.7(5) . . . . ?
C34 C56 C37 C9 -179.7(6) . . . . ?
C36 Si1 O1 Dy1 136.4(7) . . . . ?
C36 Si1 C14 C40 -27.1(6) . . . . ?
C36 Si1 C14 C50 157.6(5) . . . . ?
C36 Si1 C44 C19 114.9(5) . . . . ?
C36 Si1 C44 C13 -63.1(6) . . . . ?
C36 C26 C45 C66 -0.1(11) . . . . ?
C36 C52 C62 C66 -2.0(10) . . . . ?
C38 C10 C42 N2 -172.3(6) . . . . ?
C38 C34 C56 C58 -1.0(9) . . . . ?
C38 C34 C56 C37 178.6(6) . . . . ?
C40 C14 C50 C11 -2.7(9) . . . . ?
C40 C47 C59 C11 -1.2(11) . . . . ?
C42 N2 C16 C1 156.0(6) . . . . ?
C42 N2 C16 C55 -24.8(9) . . . . ?
C42 C10 C38 C34 177.6(6) . . . . ?
C44 Si1 O1 Dy1 -105.3(7) . . . . ?
C44 Si1 C14 C40 -144.8(5) . . . . ?
C44 Si1 C14 C50 39.9(5) . . . . ?
C44 Si1 C36 C26 -10.5(6) . . . . ?
C44 Si1 C36 C52 178.9(5) . . . . ?
C44 C19 C49 C27 2.4(11) . . . . ?
C44 C13 C7 C27 1.1(11) . . . . ?
C46 C6 C12 N5 170.3(5) . . . . ?
C46 C6 C12 C24 -7.2(9) . . . . ?
C48 C32 C58 N1 178.2(5) . . . . ?
C48 C32 C58 C56 -1.2(8) . . . . ?
C48 C9 C37 C56 1.1(10) . . . . ?
C50 C14 C40 C47 1.8(9) . . . . ?
C50 C11 C59 C47 0.3(11) . . . . ?
C52 C62 C66 C45 1.5(10) . . . . ?
C54 C4 C64 C57 -0.6(10) . . . . ?
C54 C51 C63 C57 0.9(12) . . . . ?
C56 C34 C38 C10 1.2(9) . . . . ?
C58 N1 C10 C38 -0.1(9) . . . . ?
C58 N1 C10 C42 -178.4(5) . . . . ?
C58 C32 C48 C9 2.3(9) . . . . ?
C58 C56 C37 C9 -0.1(9) . . . . ?
C60 C61 C65 C21 0.2(12) . . . . ?
C62 C66 C45 C26 -0.5(11) . . . . ?
C64 C4 C54 C51 0.0(9) . . . . ?
C64 C57 C63 C51 -1.4(12) . . . . ?
C68 C1 C16 N2 -178.0(5) . . . . ?
C68 C1 C16 C55 2.7(9) . . . . ?
C68 C25 C31 C55 2.8(11) . . . . ?
C70 N5 C12 C6 179.0(5) . . . . ?
C70 N5 C12 C24 -3.7(8) . . . . ?
C35 C24 C3 C53 -177.9(7) . . . . ?
C37 C56 C58 N1 -179.3(5) . . . . ?
C37 C56 C58 C32 0.1(8) . . . . ?
C19 C44 C13 C7 -0.1(9) . . . . ?
C19 C49 C27 C7 -1.4(12) . . . . ?
C39 C22 C30 N4 176.4(6) . . . . ?
C5 C70 C41 N6 164.6(6) . . . . ?
C41 N6 C32 C48 18.8(9) . . . . ?
C41 N6 C32 C58 -166.4(5) . . . . ?
C41 C70 C5 C35 -164.7(6) . . . . ?
C21 C20 C28 C60 0.4(9) . . . . ?
C43 C68 C25 C31 176.5(7) . . . . ?
C45 C26 C36 Si1 -171.5(5) . . . . ?
C45 C26 C36 C52 -0.3(9) . . . . ?
C23 C15 C2 C29 0.4(13) . . . . ?
C3 C24 C35 C5 177.5(6) . . . . ?
C49 C27 C7 C13 -0.3(12) . . . . ?
C25 C68 C43 C39 -177.9(6) . . . . ?
C13 C44 C19 C49 -1.6(10) . . . . ?
C29 C8 C18 C23 2.4(10) . . . . ?
F5 C17 S1 O5 -63(2) . . . . ?
F5 C17 S1 O3 70(2) . . . . ?
F5 C17 S1 O4 169.2(15) . . . . ?
F4 C17 S1 O5 170(2) . . . . ?
F4 C17 S1 O3 -57(2) . . . . ?
F4 C17 S1 O4 42(2) . . . . ?
F6 C17 S1 O5 50(3) . . . . ?
F6 C17 S1 O3 -176.5(13) . . . . ?
F6 C17 S1 O4 -77(2) . . . . ?
O6 S2 C69 F3 -48(2) . . . . ?
O6 S2 C69 F2 -175.4(19) . . . . ?
O6 S2 C69 F1 68(2) . . . . ?
O8 S2 C69 F3 -174.1(14) . . . . ?
O8 S2 C69 F2 59(2) . . . . ?
O8 S2 C69 F1 -58(2) . . . . ?
O7 S2 C69 F3 78(2) . . . . ?
O7 S2 C69 F2 -50(2) . . . . ?
O7 S2 C69 F1 -166.0(15) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.500 129.3 15.7 '1.6 H2O'
2 0.500 0.000 0.000 234.1 23.2 '2.4 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4S
_database_code_depnum_ccdc_archive 'CCDC 2178783'
loop_
_audit_author_name
_audit_author_address
'shuting Liu'
;Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_audit_creation_date             2022-03-27
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C62 H60 Dy N6 O2 Si2, C24 H19 B Br, 2(C H2 Cl2), H2 O'
_chemical_formula_sum            'C88 H85 B Br Cl4 Dy N6 O3 Si2'
_chemical_formula_weight         1725.82
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   14.8528(4)
_cell_length_b                   18.6692(4)
_cell_length_c                   28.9684(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8032.6(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      25.005
_cell_measurement_theta_min      2.247
_shelx_estimated_absorpt_T_max   0.791
_shelx_estimated_absorpt_T_min   0.638
_exptl_absorpt_coefficient_mu    1.644
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1014 before and 0.0686 after correction.
The Ratio of minimum to maximum transmission is 0.8610.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3524
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            62832
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.049
_diffrn_reflns_theta_max         25.049
_diffrn_reflns_theta_min         1.964
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.826
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                13157
_reflns_number_total             14166
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         2.498
_refine_diff_density_min         -2.207
_refine_diff_density_rms         0.111
_refine_ls_abs_structure_details 
;
 Flack x determined using 5497 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.006(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     943
_refine_ls_number_reflns         14166
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0483
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0826P)²+15.8651P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1294
_refine_ls_wR_factor_ref         0.1332
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H,H) groups
2. Restrained distances
 O3-H3B
 0.85 with sigma of 0.01
 O3-H3A
 0.85 with sigma of 0.01
 H3B-H3A
 1.34 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C85 \\sim C68: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 3.8A
4.a Everything fixed:
 H3A, H3B
4.b Ternary CH refined with riding coordinates:
 C1(H1), C14(H14), C21(H21), C24(H24)
4.c Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C19(H19A,H19B), C20(H20A,H20B), C36(H36A,H36B), C39(H39A,
 H39B), C42(H42A,H42B), C47(H47A,H47B), C69(H69A,H69B), C87(H87A,H87B),
 C88(H88A,H88B)
4.d Aromatic/amide H refined with riding coordinates:
 C86(H86), C85(H85), C68(H68), C49(H49), C28(H28), C4(H4), C5(H5), C7(H7),
 C8(H8), C9(H9), C10(H10), C12(H12), C13(H13), C15(H15), C22(H22), C25(H25),
 C26(H26), C30(H30), C32(H32), C34(H34), C35(H35), C37(H37), C40(H40), C41(H41),
  C44(H44), C45(H45), C46(H46), C48(H48), C50(H50), C51(H51), C52(H52),
 C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C67(H67),
 C70(H70), C71(H71), C73(H73), C75(H75), C76(H76), C77(H77), C78(H78), C79(H79),
  C80(H80), C81(H81), C82(H82), C83(H83), C84(H84)
4.e Fitted hexagon refined as free rotating group:
 C3(C86,C85,C68,C49,C28)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.42572(2) 0.93372(2) 0.37745(2) 0.02372(12) Uani 1 1 d . . . . .
Si1 Si 0.41317(17) 1.08745(12) 0.29594(8) 0.0284(5) Uani 1 1 d . . . . .
Br1 Br 0.8112(4) 1.02489(13) 0.59267(7) 0.197(2) Uani 1 1 d . . . . .
Si2 Si 0.43274(19) 0.77672(12) 0.45671(8) 0.0298(5) Uani 1 1 d . . . . .
O1 O 0.4272(5) 1.0242(3) 0.3321(2) 0.0327(13) Uani 1 1 d . . . . .
N4 N 0.4855(5) 1.0273(4) 0.4381(2) 0.0266(15) Uani 1 1 d . . . . .
Cl2 Cl 0.0146(4) 0.7959(4) 0.2541(2) 0.139(2) Uani 1 1 d . . . . .
Cl3 Cl 0.8259(5) 0.8950(4) 0.2099(2) 0.140(2) Uani 1 1 d . . . . .
O2 O 0.4261(5) 0.8439(3) 0.4234(2) 0.0401(14) Uani 1 1 d . . . . .
Cl1 Cl 0.1559(6) 0.7163(4) 0.2939(2) 0.155(3) Uani 1 1 d . . . . .
N3 N 0.6030(5) 0.9551(4) 0.3841(2) 0.0284(16) Uani 1 1 d . . . . .
N2 N 0.5350(5) 0.8549(4) 0.3277(2) 0.0254(15) Uani 1 1 d . . . . .
N6 N 0.2467(4) 0.9316(4) 0.3609(2) 0.0310(15) Uani 1 1 d . . . . .
N1 N 0.3649(5) 0.8759(4) 0.3008(3) 0.0269(15) Uani 1 1 d . . . . .
C1 C 0.6262(6) 0.8423(5) 0.3460(3) 0.0287(19) Uani 1 1 d . . . . .
H1 H 0.620224 0.816994 0.376277 0.034 Uiso 1 1 calc R U . . .
C2 C 0.5716(7) 1.0461(4) 0.4388(3) 0.0322(18) Uani 1 1 d . . . . .
N5 N 0.3132(5) 0.9842(4) 0.4397(3) 0.0309(16) Uani 1 1 d . . . . .
C3 C 0.5024(4) 1.0837(3) 0.2488(2) 0.035(2) Uani 1 1 d G . . . .
C86 C 0.5390(7) 1.0183(3) 0.2358(4) 0.087(5) Uani 1 1 d G . . . .
H86 H 0.517845 0.975236 0.249548 0.105 Uiso 1 1 calc R U . . .
C85 C 0.6065(8) 1.0157(4) 0.2026(4) 0.103(5) Uani 1 1 d G U . . .
H85 H 0.631545 0.970985 0.193700 0.123 Uiso 1 1 calc R U . . .
C68 C 0.6374(6) 1.0787(5) 0.1825(3) 0.086(4) Uani 1 1 d G U . . .
H68 H 0.683592 1.076940 0.159788 0.103 Uiso 1 1 calc R U . . .
C49 C 0.6008(5) 1.1441(4) 0.1955(3) 0.056(3) Uani 1 1 d G . . . .
H49 H 0.621939 1.187148 0.181723 0.068 Uiso 1 1 calc R U . . .
C28 C 0.5333(5) 1.1467(3) 0.2287(3) 0.047(3) Uani 1 1 d G . . . .
H28 H 0.508239 1.191401 0.237571 0.057 Uiso 1 1 calc R U . . .
C4 C 0.4251(8) 0.8773(5) 0.5297(4) 0.047(2) Uani 1 1 d . . . . .
H4 H 0.409624 0.910313 0.506032 0.056 Uiso 1 1 calc R U . . .
C5 C 0.6323(6) 1.0064(5) 0.4084(3) 0.0319(19) Uani 1 1 d . . . . .
H5 H 0.694152 1.019100 0.406976 0.038 Uiso 1 1 calc R U . . .
C6 C 0.4297(7) 1.0601(4) 0.4670(3) 0.0309(17) Uani 1 1 d . . . . .
C7 C 0.9054(7) 1.0974(5) 0.3462(4) 0.043(2) Uani 1 1 d . . . . .
H7 H 0.964261 1.090329 0.358214 0.052 Uiso 1 1 calc R U . . .
C8 C 0.2207(6) 0.9201(5) 0.3200(3) 0.033(2) Uani 1 1 d . . . . .
H8 H 0.160384 0.930880 0.311599 0.039 Uiso 1 1 calc R U . . .
C9 C 0.3117(7) 0.8416(6) 0.2106(4) 0.047(3) Uani 1 1 d . . . . .
H9 H 0.293676 0.829838 0.180076 0.056 Uiso 1 1 calc R U . . .
C10 C 0.3737(7) 1.2362(5) 0.3149(4) 0.040(2) Uani 1 1 d . . . . .
H10 H 0.328849 1.232902 0.291581 0.048 Uiso 1 1 calc R U . . .
C11 C 0.4241(7) 1.1770(4) 0.3251(3) 0.0336(18) Uani 1 1 d . . . . .
C12 C 0.5134(6) 0.8313(5) 0.2886(3) 0.0306(19) Uani 1 1 d . . . . .
H12 H 0.555494 0.805023 0.270641 0.037 Uiso 1 1 calc R U . . .
C13 C 1.1853(9) 1.2038(7) 0.4117(5) 0.062(4) Uani 1 1 d . . . . .
H13 H 1.249217 1.203076 0.411415 0.074 Uiso 1 1 calc R U . . .
C14 C 0.6669(6) 0.9164(5) 0.3551(3) 0.0296(19) Uani 1 1 d . . . . .
H14 H 0.671524 0.942144 0.324918 0.035 Uiso 1 1 calc R U . . .
C15 C 0.2240(7) 1.0939(5) 0.2970(4) 0.040(2) Uani 1 1 d . . . . .
H15 H 0.232210 1.104112 0.328857 0.047 Uiso 1 1 calc R U . . .
C16 C 0.8367(7) 1.2769(5) 0.4088(3) 0.039(2) Uani 1 1 d . . . . .
C17 C 0.6878(6) 0.7967(5) 0.3145(4) 0.038(2) Uani 1 1 d . . . . .
H17A H 0.661220 0.748496 0.310431 0.045 Uiso 1 1 calc R U . . .
H17B H 0.692057 0.819498 0.283668 0.045 Uiso 1 1 calc R U . . .
C18 C 0.4435(5) 0.8067(5) 0.5181(3) 0.0305(19) Uani 1 1 d . . . . .
C19 C 0.0898(6) 0.9218(6) 0.3931(3) 0.045(2) Uani 1 1 d . . . . .
H19A H 0.062003 0.928671 0.362315 0.054 Uiso 1 1 calc R U . . .
H19B H 0.098567 0.869797 0.397860 0.054 Uiso 1 1 calc R U . . .
C20 C 0.0274(7) 0.9503(7) 0.4295(4) 0.050(3) Uani 1 1 d . . . . .
H20A H -0.029764 0.923113 0.428777 0.060 Uiso 1 1 calc R U . . .
H20B H 0.013615 1.001175 0.422972 0.060 Uiso 1 1 calc R U . . .
C21 C 0.1809(6) 0.9591(5) 0.3941(3) 0.033(2) Uani 1 1 d . . . . .
H21 H 0.171041 1.011037 0.387250 0.040 Uiso 1 1 calc R U . . .
C22 C 0.6045(7) 1.1002(6) 0.4679(4) 0.046(3) Uani 1 1 d . . . . .
H22 H 0.666475 1.112649 0.467750 0.055 Uiso 1 1 calc R U . . .
C23 C 0.2821(6) 0.8905(5) 0.2857(3) 0.0303(19) Uani 1 1 d . . . . .
C24 C 0.2228(6) 0.9533(5) 0.4420(3) 0.0308(19) Uani 1 1 d . . . . .
H24 H 0.230664 0.901032 0.448388 0.037 Uiso 1 1 calc R U . . .
C25 C 0.6181(6) 0.7315(5) 0.4588(4) 0.037(2) Uani 1 1 d . . . . .
H25 H 0.626970 0.769204 0.480278 0.045 Uiso 1 1 calc R U . . .
C26 C 1.1374(7) 1.2223(6) 0.3715(5) 0.055(3) Uani 1 1 d . . . . .
H26 H 1.167575 1.236201 0.343976 0.066 Uiso 1 1 calc R U . . .
C27 C 0.5306(7) 0.7174(5) 0.4418(3) 0.035(2) Uani 1 1 d . . . . .
C29 C 0.2981(6) 1.0846(5) 0.2689(3) 0.035(2) Uani 1 1 d . . . . .
C30 C 0.3356(6) 1.0344(5) 0.4667(3) 0.033(2) Uani 1 1 d . . . . .
H30 H 0.292324 1.055318 0.486704 0.039 Uiso 1 1 calc R U . . .
C31 C 0.8504(7) 1.1493(5) 0.3661(3) 0.038(2) Uani 1 1 d . . . . .
C32 C 0.4572(7) 1.1141(5) 0.4961(4) 0.042(2) Uani 1 1 d . . . . .
H32 H 0.414760 1.136749 0.515832 0.050 Uiso 1 1 calc R U . . .
C33 C 0.8499(6) 1.1531(5) 0.4577(4) 0.038(2) Uani 1 1 d . . . . .
C34 C 0.8534(6) 1.0787(6) 0.4582(4) 0.041(2) Uani 1 1 d . . . . .
H34 H 0.865608 1.054398 0.430127 0.049 Uiso 1 1 calc R U . . .
C35 C 0.8400(8) 1.0384(7) 0.4978(4) 0.055(3) Uani 1 1 d . . . . .
H35 H 0.845349 0.987698 0.497374 0.066 Uiso 1 1 calc R U . . .
C36 C 0.7823(7) 0.7897(6) 0.3353(4) 0.045(2) Uani 1 1 d . . . . .
H36A H 0.778744 0.762781 0.364713 0.054 Uiso 1 1 calc R U . . .
H36B H 0.821424 0.762563 0.313898 0.054 Uiso 1 1 calc R U . . .
C37 C 0.7356(9) 1.1135(7) 0.3097(4) 0.057(3) Uani 1 1 d . . . . .
H37 H 0.676638 1.119618 0.297620 0.068 Uiso 1 1 calc R U . . .
C38 C 0.4218(7) 0.8447(4) 0.2710(3) 0.0290(17) Uani 1 1 d . . . . .
C39 C 0.0699(7) 0.9440(6) 0.4776(4) 0.049(2) Uani 1 1 d . . . . .
H39A H 0.029043 0.965298 0.500833 0.059 Uiso 1 1 calc R U . . .
H39B H 0.078388 0.892794 0.485414 0.059 Uiso 1 1 calc R U . . .
C40 C 0.2520(7) 0.8753(5) 0.2404(3) 0.040(2) Uani 1 1 d . . . . .
H40 H 0.192950 0.887736 0.230731 0.048 Uiso 1 1 calc R U . . .
C41 C 0.2834(7) 1.0701(7) 0.2221(3) 0.051(3) Uani 1 1 d . . . . .
H41 H 0.333272 1.062179 0.202231 0.061 Uiso 1 1 calc R U . . .
C42 C 0.1600(6) 0.9821(5) 0.4790(3) 0.038(2) Uani 1 1 d . . . . .
H42A H 0.187845 0.975271 0.509743 0.046 Uiso 1 1 calc R U . . .
H42B H 0.150703 1.034038 0.474212 0.046 Uiso 1 1 calc R U . . .
C43 C 0.3278(6) 0.7208(5) 0.4522(4) 0.037(2) Uani 1 1 d . . . . .
C44 C 0.4288(9) 0.9008(7) 0.5754(4) 0.064(3) Uani 1 1 d . . . . .
H44 H 0.418654 0.949778 0.582625 0.076 Uiso 1 1 calc R U . . .
C45 C 0.7492(8) 1.2913(6) 0.4246(4) 0.049(3) Uani 1 1 d . . . . .
H45 H 0.715513 1.253799 0.438416 0.059 Uiso 1 1 calc R U . . .
C46 C 0.3978(7) 0.8252(5) 0.2258(3) 0.039(2) Uani 1 1 d . . . . .
H46 H 0.439491 0.801494 0.206226 0.047 Uiso 1 1 calc R U . . .
Cl4 Cl 0.9212(8) 0.9944(6) 0.1530(5) 0.262(6) Uani 1 1 d . . . . .
C47 C 0.8227(7) 0.8630(6) 0.3441(4) 0.049(3) Uani 1 1 d . . . . .
H47A H 0.831912 0.887772 0.314299 0.058 Uiso 1 1 calc R U . . .
H47B H 0.882308 0.857200 0.359014 0.058 Uiso 1 1 calc R U . . .
C48 C 0.5445(8) 1.1350(6) 0.4968(4) 0.051(3) Uani 1 1 d . . . . .
H48 H 0.564079 1.172479 0.516628 0.061 Uiso 1 1 calc R U . . .
C50 C 0.4498(9) 1.3075(6) 0.3720(5) 0.060(3) Uani 1 1 d . . . . .
H50 H 0.458071 1.351487 0.387906 0.072 Uiso 1 1 calc R U . . .
C51 C 0.1351(7) 1.0882(7) 0.2787(5) 0.057(3) Uani 1 1 d . . . . .
H51 H 0.084230 1.093436 0.298288 0.068 Uiso 1 1 calc R U . . .
C52 C 0.8771(9) 1.0561(7) 0.3096(4) 0.057(3) Uani 1 1 d . . . . .
H52 H 0.916978 1.021678 0.296723 0.069 Uiso 1 1 calc R U . . .
B1 B 0.8790(8) 1.1949(6) 0.4123(4) 0.038(3) Uani 1 1 d . . . . .
C53 C 0.3040(7) 0.6685(5) 0.4842(4) 0.050(3) Uani 1 1 d . . . . .
H53 H 0.341423 0.661745 0.510474 0.060 Uiso 1 1 calc R U . . .
C54 C 0.7916(10) 1.0638(7) 0.2914(4) 0.063(3) Uani 1 1 d . . . . .
H54 H 0.772397 1.034585 0.266396 0.075 Uiso 1 1 calc R U . . .
C55 C 0.4653(6) 0.7595(6) 0.5546(3) 0.040(2) Uani 1 1 d . . . . .
H55 H 0.479182 0.710945 0.547899 0.048 Uiso 1 1 calc R U . . .
C56 C 0.1972(8) 1.0671(9) 0.2046(4) 0.070(4) Uani 1 1 d . . . . .
H56 H 0.188450 1.059461 0.172447 0.084 Uiso 1 1 calc R U . . .
C57 C 0.6902(7) 0.6913(7) 0.4446(4) 0.054(3) Uani 1 1 d . . . . .
H57 H 0.748329 0.700726 0.456863 0.064 Uiso 1 1 calc R U . . .
C58 C 0.4897(8) 1.1850(5) 0.3600(4) 0.046(2) Uani 1 1 d . . . . .
H58 H 0.526978 1.145590 0.368020 0.055 Uiso 1 1 calc R U . . .
C59 C 0.7100(10) 1.3595(8) 0.4205(4) 0.068(4) Uani 1 1 d . . . . .
H59 H 0.650362 1.367146 0.431322 0.082 Uiso 1 1 calc R U . . .
C60 C 0.7652(8) 1.1558(6) 0.3466(4) 0.049(3) Uani 1 1 d . . . . .
H60 H 0.725203 1.190651 0.358837 0.058 Uiso 1 1 calc R U . . .
C61 C 0.4478(8) 0.8513(9) 0.6106(4) 0.065(4) Uani 1 1 d . . . . .
H61 H 0.446981 0.866364 0.641970 0.078 Uiso 1 1 calc R U . . .
C62 C 0.6787(9) 0.6370(8) 0.4124(5) 0.068(4) Uani 1 1 d . . . . .
H62 H 0.729032 0.611606 0.400382 0.081 Uiso 1 1 calc R U . . .
C63 C 0.8791(8) 1.3357(6) 0.3885(4) 0.049(3) Uani 1 1 d . . . . .
H63 H 0.938047 1.329152 0.376519 0.059 Uiso 1 1 calc R U . . .
C64 C 0.7573(10) 1.4154(7) 0.4011(4) 0.063(4) Uani 1 1 d . . . . .
H64 H 0.730900 1.461718 0.399570 0.075 Uiso 1 1 calc R U . . .
C65 C 0.5002(9) 1.2501(6) 0.3827(4) 0.057(3) Uani 1 1 d . . . . .
H65 H 0.544069 1.254007 0.406459 0.068 Uiso 1 1 calc R U . . .
C66 C 0.8395(9) 1.4048(6) 0.3846(5) 0.061(3) Uani 1 1 d . . . . .
H66 H 0.871583 1.442824 0.370268 0.073 Uiso 1 1 calc R U . . .
C67 C 0.4669(8) 0.7832(8) 0.6004(4) 0.054(3) Uani 1 1 d . . . . .
H67 H 0.481637 0.750607 0.624440 0.065 Uiso 1 1 calc R U . . .
C69 C 0.7624(6) 0.9087(6) 0.3750(4) 0.045(2) Uani 1 1 d . . . . .
H69A H 0.789499 0.956865 0.378543 0.054 Uiso 1 1 calc R U . . .
H69B H 0.758758 0.886589 0.406015 0.054 Uiso 1 1 calc R U . . .
C70 C 0.3863(8) 1.3018(6) 0.3379(5) 0.053(3) Uani 1 1 d . . . . .
H70 H 0.350773 1.342220 0.329769 0.064 Uiso 1 1 calc R U . . .
C71 C 0.2709(8) 0.7271(9) 0.4154(4) 0.071(4) Uani 1 1 d . . . . .
H71 H 0.282938 0.762419 0.392599 0.085 Uiso 1 1 calc R U . . .
C72 C 0.9940(7) 1.2018(5) 0.4118(4) 0.041(2) Uani 1 1 d . . . . .
C73 C 1.0443(7) 1.2195(6) 0.3737(4) 0.050(3) Uani 1 1 d . . . . .
H73 H 1.012291 1.230922 0.346286 0.060 Uiso 1 1 calc R U . . .
C74 C 0.8184(11) 1.0750(8) 0.5380(4) 0.072(4) Uani 1 1 d . . . . .
C75 C 0.8111(10) 1.1483(7) 0.5385(4) 0.064(3) Uani 1 1 d . . . . .
H75 H 0.794059 1.172758 0.565929 0.076 Uiso 1 1 calc R U . . .
C76 C 0.8287(8) 1.1853(6) 0.4993(4) 0.048(3) Uani 1 1 d . . . . .
H76 H 0.826430 1.236099 0.500498 0.058 Uiso 1 1 calc R U . . .
C77 C 1.0457(7) 1.1854(6) 0.4516(4) 0.046(3) Uani 1 1 d . . . . .
H77 H 1.015572 1.173127 0.479459 0.055 Uiso 1 1 calc R U . . .
C78 C 0.5217(8) 0.6591(7) 0.4113(4) 0.058(3) Uani 1 1 d . . . . .
H78 H 0.463668 0.647102 0.399802 0.070 Uiso 1 1 calc R U . . .
C79 C 1.1394(8) 1.1869(6) 0.4509(5) 0.055(3) Uani 1 1 d . . . . .
H79 H 1.171880 1.176024 0.478269 0.066 Uiso 1 1 calc R U . . .
C80 C 0.5920(9) 0.6207(9) 0.3981(5) 0.081(5) Uani 1 1 d . . . . .
H80 H 0.582767 0.580737 0.378348 0.097 Uiso 1 1 calc R U . . .
C81 C 0.1243(8) 1.0751(9) 0.2329(5) 0.068(4) Uani 1 1 d . . . . .
H81 H 0.065307 1.071420 0.220416 0.082 Uiso 1 1 calc R U . . .
C82 C 0.2299(8) 0.6267(7) 0.4797(6) 0.062(4) Uani 1 1 d . . . . .
H82 H 0.216425 0.591552 0.502353 0.075 Uiso 1 1 calc R U . . .
C83 C 0.1949(9) 0.6828(12) 0.4101(5) 0.087(6) Uani 1 1 d . . . . .
H83 H 0.158181 0.687092 0.383409 0.104 Uiso 1 1 calc R U . . .
C84 C 0.1744(8) 0.6353(9) 0.4421(6) 0.073(5) Uani 1 1 d . . . . .
H84 H 0.121424 0.607169 0.439248 0.087 Uiso 1 1 calc R U . . .
C87 C 0.0940(12) 0.7267(11) 0.2464(6) 0.098(5) Uani 1 1 d . . . . .
H87A H 0.062385 0.681381 0.239193 0.117 Uiso 1 1 calc R U . . .
H87B H 0.133763 0.738473 0.219983 0.117 Uiso 1 1 calc R U . . .
C88 C 0.8816(19) 0.9106(15) 0.1611(12) 0.197(16) Uani 1 1 d . . . . .
H88A H 0.841161 0.898880 0.134951 0.237 Uiso 1 1 calc R U . . .
H88B H 0.933146 0.877071 0.159604 0.237 Uiso 1 1 calc R U . . .
O3 O 0.6694(6) 1.4764(4) 0.3923(2) 0.055(2) Uani 1 1 d D . . . .
H3A H 0.649400 1.457570 0.362230 0.066 Uiso 1 1 d D U . . .
H3B H 0.622280 1.477230 0.409610 0.066 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.141(5) . ?
Dy1 N4 2.632(7) . ?
Dy1 O2 2.140(6) . ?
Dy1 N3 2.670(7) . ?
Dy1 N2 2.623(7) . ?
Dy1 N6 2.702(7) . ?
Dy1 N1 2.628(7) . ?
Dy1 N5 2.634(7) . ?
Si1 O1 1.591(6) . ?
Si1 C3 1.903(6) . ?
Si1 C11 1.880(9) . ?
Si1 C29 1.880(10) . ?
Br1 C74 1.841(13) . ?
Si2 O2 1.587(6) . ?
Si2 C18 1.870(9) . ?
Si2 C27 1.878(10) . ?
Si2 C43 1.880(10) . ?
N4 C2 1.327(12) . ?
N4 C6 1.327(11) . ?
Cl2 C87 1.76(2) . ?
Cl3 C88 1.66(3) . ?
Cl1 C87 1.666(17) . ?
N3 C5 1.267(11) . ?
N3 C14 1.458(11) . ?
N2 C1 1.473(11) . ?
N2 C12 1.257(11) . ?
N6 C8 1.263(12) . ?
N6 C21 1.464(11) . ?
N1 C23 1.335(11) . ?
N1 C38 1.342(11) . ?
C1 H1 1.0000 . ?
C1 C14 1.533(12) . ?
C1 C17 1.548(12) . ?
C2 C5 1.462(13) . ?
C2 C22 1.402(13) . ?
N5 C24 1.463(12) . ?
N5 C30 1.265(12) . ?
C3 C86 1.3900 . ?
C3 C28 1.3900 . ?
C86 H86 0.9500 . ?
C86 C85 1.3900 . ?
C85 H85 0.9500 . ?
C85 C68 1.3900 . ?
C68 H68 0.9500 . ?
C68 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C28 1.3900 . ?
C28 H28 0.9500 . ?
C4 H4 0.9500 . ?
C4 C18 1.387(13) . ?
C4 C44 1.397(15) . ?
C5 H5 0.9500 . ?
C6 C30 1.477(13) . ?
C6 C32 1.377(13) . ?
C7 H7 0.9500 . ?
C7 C31 1.392(14) . ?
C7 C52 1.376(15) . ?
C8 H8 0.9500 . ?
C8 C23 1.459(13) . ?
C9 H9 0.9500 . ?
C9 C40 1.388(15) . ?
C9 C46 1.388(15) . ?
C10 H10 0.9500 . ?
C10 C11 1.368(13) . ?
C10 C70 1.408(15) . ?
C11 C58 1.412(14) . ?
C12 H12 0.9500 . ?
C12 C38 1.474(13) . ?
C13 H13 0.9500 . ?
C13 C26 1.408(19) . ?
C13 C79 1.36(2) . ?
C14 H14 1.0000 . ?
C14 C69 1.537(12) . ?
C15 H15 0.9500 . ?
C15 C29 1.380(14) . ?
C15 C51 1.426(14) . ?
C16 C45 1.404(15) . ?
C16 B1 1.659(15) . ?
C16 C63 1.395(15) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C36 1.533(14) . ?
C18 C55 1.414(13) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.502(15) . ?
C19 C21 1.522(13) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C39 1.534(16) . ?
C21 H21 1.0000 . ?
C21 C24 1.525(13) . ?
C22 H22 0.9500 . ?
C22 C48 1.385(15) . ?
C23 C40 1.414(13) . ?
C24 H24 1.0000 . ?
C24 C42 1.519(12) . ?
C25 H25 0.9500 . ?
C25 C27 1.415(14) . ?
C25 C57 1.370(15) . ?
C26 H26 0.9500 . ?
C26 C73 1.384(15) . ?
C27 C78 1.407(16) . ?
C29 C41 1.401(14) . ?
C30 H30 0.9500 . ?
C31 B1 1.642(13) . ?
C31 C60 1.392(15) . ?
C32 H32 0.9500 . ?
C32 C48 1.355(16) . ?
C33 C34 1.390(15) . ?
C33 B1 1.589(17) . ?
C33 C76 1.383(15) . ?
C34 H34 0.9500 . ?
C34 C35 1.385(16) . ?
C35 H35 0.9500 . ?
C35 C74 1.388(18) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C47 1.516(15) . ?
C37 H37 0.9500 . ?
C37 C54 1.355(19) . ?
C37 C60 1.398(15) . ?
C38 C46 1.403(13) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C42 1.516(14) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C41 C56 1.377(15) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C53 1.394(15) . ?
C43 C71 1.366(16) . ?
C44 H44 0.9500 . ?
C44 C61 1.406(19) . ?
C45 H45 0.9500 . ?
C45 C59 1.405(17) . ?
C46 H46 0.9500 . ?
Cl4 C88 1.69(3) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C69 1.528(14) . ?
C48 H48 0.9500 . ?
C50 H50 0.9500 . ?
C50 C65 1.344(17) . ?
C50 C70 1.370(18) . ?
C51 H51 0.9500 . ?
C51 C81 1.359(19) . ?
C52 H52 0.9500 . ?
C52 C54 1.383(18) . ?
B1 C72 1.713(15) . ?
C53 H53 0.9500 . ?
C53 C82 1.355(16) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C55 C67 1.400(16) . ?
C56 H56 0.9500 . ?
C56 C81 1.368(18) . ?
C57 H57 0.9500 . ?
C57 C62 1.390(18) . ?
C58 H58 0.9500 . ?
C58 C65 1.390(16) . ?
C59 H59 0.9500 . ?
C59 C64 1.38(2) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
C61 C67 1.336(19) . ?
C62 H62 0.9500 . ?
C62 C80 1.387(19) . ?
C63 H63 0.9500 . ?
C63 C66 1.421(16) . ?
C64 H64 0.9500 . ?
C64 C66 1.328(19) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
C71 C83 1.41(2) . ?
C72 C73 1.373(16) . ?
C72 C77 1.420(16) . ?
C73 H73 0.9500 . ?
C74 C75 1.375(19) . ?
C75 H75 0.9500 . ?
C75 C76 1.353(17) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C77 C79 1.392(17) . ?
C78 H78 0.9500 . ?
C78 C80 1.323(17) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C82 C84 1.37(2) . ?
C83 H83 0.9500 . ?
C83 C84 1.32(2) . ?
C84 H84 0.9500 . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
O3 H3A 0.9857 . ?
O3 H3B 0.8607 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N4 83.3(2) . . ?
O1 Dy1 N3 85.2(2) . . ?
O1 Dy1 N2 95.7(2) . . ?
O1 Dy1 N6 85.0(2) . . ?
O1 Dy1 N1 79.0(2) . . ?
O1 Dy1 N5 98.3(2) . . ?
N4 Dy1 N3 61.3(2) . . ?
N4 Dy1 N6 117.4(2) . . ?
N4 Dy1 N5 61.3(2) . . ?
O2 Dy1 O1 179.1(3) . . ?
O2 Dy1 N4 96.0(2) . . ?
O2 Dy1 N3 94.0(3) . . ?
O2 Dy1 N2 84.3(2) . . ?
O2 Dy1 N6 95.8(3) . . ?
O2 Dy1 N1 101.8(2) . . ?
O2 Dy1 N5 81.7(2) . . ?
N3 Dy1 N6 170.2(2) . . ?
N2 Dy1 N4 122.0(2) . . ?
N2 Dy1 N3 60.8(2) . . ?
N2 Dy1 N6 120.2(2) . . ?
N2 Dy1 N1 61.2(2) . . ?
N2 Dy1 N5 166.0(2) . . ?
N1 Dy1 N4 162.2(2) . . ?
N1 Dy1 N3 117.4(2) . . ?
N1 Dy1 N6 60.4(2) . . ?
N1 Dy1 N5 120.5(2) . . ?
N5 Dy1 N3 121.6(2) . . ?
N5 Dy1 N6 60.1(2) . . ?
O1 Si1 C3 110.7(3) . . ?
O1 Si1 C11 110.6(4) . . ?
O1 Si1 C29 111.8(4) . . ?
C11 Si1 C3 107.1(4) . . ?
C11 Si1 C29 106.9(4) . . ?
C29 Si1 C3 109.5(4) . . ?
O2 Si2 C18 110.3(4) . . ?
O2 Si2 C27 112.0(4) . . ?
O2 Si2 C43 110.2(4) . . ?
C18 Si2 C27 109.2(4) . . ?
C18 Si2 C43 107.7(4) . . ?
C27 Si2 C43 107.3(4) . . ?
Si1 O1 Dy1 171.1(4) . . ?
C2 N4 Dy1 120.8(5) . . ?
C2 N4 C6 118.1(7) . . ?
C6 N4 Dy1 121.1(6) . . ?
Si2 O2 Dy1 176.5(5) . . ?
C5 N3 Dy1 119.4(6) . . ?
C5 N3 C14 118.1(7) . . ?
C14 N3 Dy1 121.8(5) . . ?
C1 N2 Dy1 117.4(5) . . ?
C12 N2 Dy1 122.3(6) . . ?
C12 N2 C1 120.3(8) . . ?
C8 N6 Dy1 118.0(6) . . ?
C8 N6 C21 118.0(7) . . ?
C21 N6 Dy1 122.4(5) . . ?
C23 N1 Dy1 120.7(6) . . ?
C23 N1 C38 117.2(8) . . ?
C38 N1 Dy1 120.4(6) . . ?
N2 C1 H1 108.1 . . ?
N2 C1 C14 106.3(7) . . ?
N2 C1 C17 114.7(7) . . ?
C14 C1 H1 108.1 . . ?
C14 C1 C17 111.4(8) . . ?
C17 C1 H1 108.1 . . ?
N4 C2 C5 116.8(7) . . ?
N4 C2 C22 122.4(9) . . ?
C22 C2 C5 120.8(9) . . ?
C24 N5 Dy1 118.2(5) . . ?
C30 N5 Dy1 121.4(6) . . ?
C30 N5 C24 120.4(8) . . ?
C86 C3 Si1 120.0(4) . . ?
C86 C3 C28 120.0 . . ?
C28 C3 Si1 120.0(4) . . ?
C3 C86 H86 120.0 . . ?
C85 C86 C3 120.0 . . ?
C85 C86 H86 120.0 . . ?
C86 C85 H85 120.0 . . ?
C86 C85 C68 120.0 . . ?
C68 C85 H85 120.0 . . ?
C85 C68 H68 120.0 . . ?
C49 C68 C85 120.0 . . ?
C49 C68 H68 120.0 . . ?
C68 C49 H49 120.0 . . ?
C28 C49 C68 120.0 . . ?
C28 C49 H49 120.0 . . ?
C3 C28 H28 120.0 . . ?
C49 C28 C3 120.0 . . ?
C49 C28 H28 120.0 . . ?
C18 C4 H4 119.3 . . ?
C18 C4 C44 121.4(11) . . ?
C44 C4 H4 119.3 . . ?
N3 C5 C2 120.5(8) . . ?
N3 C5 H5 119.7 . . ?
C2 C5 H5 119.7 . . ?
N4 C6 C30 115.9(7) . . ?
N4 C6 C32 122.6(9) . . ?
C32 C6 C30 121.5(8) . . ?
C31 C7 H7 119.0 . . ?
C52 C7 H7 119.0 . . ?
C52 C7 C31 122.0(10) . . ?
N6 C8 H8 119.6 . . ?
N6 C8 C23 120.8(8) . . ?
C23 C8 H8 119.6 . . ?
C40 C9 H9 120.3 . . ?
C40 C9 C46 119.4(9) . . ?
C46 C9 H9 120.3 . . ?
C11 C10 H10 119.1 . . ?
C11 C10 C70 121.9(11) . . ?
C70 C10 H10 119.1 . . ?
C10 C11 Si1 125.0(8) . . ?
C10 C11 C58 116.6(9) . . ?
C58 C11 Si1 118.4(7) . . ?
N2 C12 H12 120.4 . . ?
N2 C12 C38 119.2(8) . . ?
C38 C12 H12 120.4 . . ?
C26 C13 H13 120.2 . . ?
C79 C13 H13 120.2 . . ?
C79 C13 C26 119.6(11) . . ?
N3 C14 C1 106.8(7) . . ?
N3 C14 H14 108.1 . . ?
N3 C14 C69 115.5(8) . . ?
C1 C14 H14 108.1 . . ?
C1 C14 C69 110.1(7) . . ?
C69 C14 H14 108.1 . . ?
C29 C15 H15 119.7 . . ?
C29 C15 C51 120.7(10) . . ?
C51 C15 H15 119.7 . . ?
C45 C16 B1 120.5(10) . . ?
C63 C16 C45 113.8(10) . . ?
C63 C16 B1 125.6(10) . . ?
C1 C17 H17A 109.5 . . ?
C1 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C36 C17 C1 110.8(8) . . ?
C36 C17 H17A 109.5 . . ?
C36 C17 H17B 109.5 . . ?
C4 C18 Si2 119.9(7) . . ?
C4 C18 C55 117.1(9) . . ?
C55 C18 Si2 123.0(7) . . ?
H19A C19 H19B 107.9 . . ?
C20 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
C20 C19 C21 111.9(9) . . ?
C21 C19 H19A 109.2 . . ?
C21 C19 H19B 109.2 . . ?
C19 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
C19 C20 C39 111.0(9) . . ?
H20A C20 H20B 108.0 . . ?
C39 C20 H20A 109.4 . . ?
C39 C20 H20B 109.4 . . ?
N6 C21 C19 114.8(8) . . ?
N6 C21 H21 108.0 . . ?
N6 C21 C24 107.5(7) . . ?
C19 C21 H21 108.0 . . ?
C19 C21 C24 110.3(8) . . ?
C24 C21 H21 108.0 . . ?
C2 C22 H22 120.7 . . ?
C48 C22 C2 118.5(9) . . ?
C48 C22 H22 120.7 . . ?
N1 C23 C8 115.4(8) . . ?
N1 C23 C40 123.7(9) . . ?
C40 C23 C8 120.7(8) . . ?
N5 C24 C21 107.7(7) . . ?
N5 C24 H24 106.6 . . ?
N5 C24 C42 117.1(8) . . ?
C21 C24 H24 106.6 . . ?
C42 C24 C21 111.5(8) . . ?
C42 C24 H24 106.6 . . ?
C27 C25 H25 119.6 . . ?
C57 C25 H25 119.6 . . ?
C57 C25 C27 120.8(10) . . ?
C13 C26 H26 121.4 . . ?
C73 C26 C13 117.2(13) . . ?
C73 C26 H26 121.4 . . ?
C25 C27 Si2 121.4(7) . . ?
C78 C27 Si2 121.9(8) . . ?
C78 C27 C25 116.7(9) . . ?
C15 C29 Si1 118.5(7) . . ?
C15 C29 C41 118.1(9) . . ?
C41 C29 Si1 123.4(8) . . ?
N5 C30 C6 119.6(8) . . ?
N5 C30 H30 120.2 . . ?
C6 C30 H30 120.2 . . ?
C7 C31 B1 123.1(9) . . ?
C60 C31 C7 115.2(9) . . ?
C60 C31 B1 121.4(9) . . ?
C6 C32 H32 119.8 . . ?
C48 C32 C6 120.3(9) . . ?
C48 C32 H32 119.8 . . ?
C34 C33 B1 119.3(9) . . ?
C76 C33 C34 115.6(10) . . ?
C76 C33 B1 124.8(9) . . ?
C33 C34 H34 118.4 . . ?
C35 C34 C33 123.1(10) . . ?
C35 C34 H34 118.4 . . ?
C34 C35 H35 121.3 . . ?
C34 C35 C74 117.4(11) . . ?
C74 C35 H35 121.3 . . ?
C17 C36 H36A 109.5 . . ?
C17 C36 H36B 109.5 . . ?
H36A C36 H36B 108.1 . . ?
C47 C36 C17 110.6(8) . . ?
C47 C36 H36A 109.5 . . ?
C47 C36 H36B 109.5 . . ?
C54 C37 H37 120.2 . . ?
C54 C37 C60 119.5(12) . . ?
C60 C37 H37 120.2 . . ?
N1 C38 C12 115.6(7) . . ?
N1 C38 C46 123.6(9) . . ?
C46 C38 C12 120.8(8) . . ?
C20 C39 H39A 109.5 . . ?
C20 C39 H39B 109.5 . . ?
H39A C39 H39B 108.1 . . ?
C42 C39 C20 110.6(8) . . ?
C42 C39 H39A 109.5 . . ?
C42 C39 H39B 109.5 . . ?
C9 C40 C23 117.8(9) . . ?
C9 C40 H40 121.1 . . ?
C23 C40 H40 121.1 . . ?
C29 C41 H41 119.7 . . ?
C56 C41 C29 120.7(11) . . ?
C56 C41 H41 119.7 . . ?
C24 C42 H42A 109.5 . . ?
C24 C42 H42B 109.5 . . ?
C39 C42 C24 110.9(8) . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 108.0 . . ?
C53 C43 Si2 123.6(8) . . ?
C71 C43 Si2 121.3(10) . . ?
C71 C43 C53 115.0(11) . . ?
C4 C44 H44 120.3 . . ?
C4 C44 C61 119.3(11) . . ?
C61 C44 H44 120.3 . . ?
C16 C45 H45 119.0 . . ?
C16 C45 C59 122.0(12) . . ?
C59 C45 H45 119.0 . . ?
C9 C46 C38 118.3(9) . . ?
C9 C46 H46 120.9 . . ?
C38 C46 H46 120.9 . . ?
C36 C47 H47A 109.3 . . ?
C36 C47 H47B 109.3 . . ?
C36 C47 C69 111.7(9) . . ?
H47A C47 H47B 107.9 . . ?
C69 C47 H47A 109.3 . . ?
C69 C47 H47B 109.3 . . ?
C22 C48 H48 121.0 . . ?
C32 C48 C22 118.1(9) . . ?
C32 C48 H48 121.0 . . ?
C65 C50 H50 120.4 . . ?
C65 C50 C70 119.3(11) . . ?
C70 C50 H50 120.4 . . ?
C15 C51 H51 120.5 . . ?
C81 C51 C15 119.1(11) . . ?
C81 C51 H51 120.5 . . ?
C7 C52 H52 119.5 . . ?
C7 C52 C54 121.1(12) . . ?
C54 C52 H52 119.5 . . ?
C16 B1 C72 107.9(9) . . ?
C31 B1 C16 109.3(8) . . ?
C31 B1 C72 106.8(8) . . ?
C33 B1 C16 113.7(8) . . ?
C33 B1 C31 110.5(9) . . ?
C33 B1 C72 108.4(8) . . ?
C43 C53 H53 118.5 . . ?
C82 C53 C43 123.0(12) . . ?
C82 C53 H53 118.5 . . ?
C37 C54 C52 119.0(11) . . ?
C37 C54 H54 120.5 . . ?
C52 C54 H54 120.5 . . ?
C18 C55 H55 119.4 . . ?
C67 C55 C18 121.1(11) . . ?
C67 C55 H55 119.4 . . ?
C41 C56 H56 119.7 . . ?
C81 C56 C41 120.7(11) . . ?
C81 C56 H56 119.7 . . ?
C25 C57 H57 119.8 . . ?
C25 C57 C62 120.3(11) . . ?
C62 C57 H57 119.8 . . ?
C11 C58 H58 119.7 . . ?
C65 C58 C11 120.6(10) . . ?
C65 C58 H58 119.7 . . ?
C45 C59 H59 119.7 . . ?
C64 C59 C45 120.6(13) . . ?
C64 C59 H59 119.7 . . ?
C31 C60 C37 123.2(11) . . ?
C31 C60 H60 118.4 . . ?
C37 C60 H60 118.4 . . ?
C44 C61 H61 119.8 . . ?
C67 C61 C44 120.5(11) . . ?
C67 C61 H61 119.8 . . ?
C57 C62 H62 120.9 . . ?
C80 C62 C57 118.3(11) . . ?
C80 C62 H62 120.9 . . ?
C16 C63 H63 117.9 . . ?
C16 C63 C66 124.1(12) . . ?
C66 C63 H63 117.9 . . ?
C59 C64 H64 119.9 . . ?
C66 C64 C59 120.2(12) . . ?
C66 C64 H64 119.9 . . ?
C50 C65 C58 121.6(12) . . ?
C50 C65 H65 119.2 . . ?
C58 C65 H65 119.2 . . ?
C63 C66 H66 120.4 . . ?
C64 C66 C63 119.1(12) . . ?
C64 C66 H66 120.4 . . ?
C55 C67 H67 119.8 . . ?
C61 C67 C55 120.5(12) . . ?
C61 C67 H67 119.8 . . ?
C14 C69 H69A 109.2 . . ?
C14 C69 H69B 109.2 . . ?
C47 C69 C14 111.9(9) . . ?
C47 C69 H69A 109.2 . . ?
C47 C69 H69B 109.2 . . ?
H69A C69 H69B 107.9 . . ?
C10 C70 H70 120.0 . . ?
C50 C70 C10 120.0(11) . . ?
C50 C70 H70 120.0 . . ?
C43 C71 H71 119.0 . . ?
C43 C71 C83 122.0(15) . . ?
C83 C71 H71 119.0 . . ?
C73 C72 B1 124.7(10) . . ?
C73 C72 C77 114.2(10) . . ?
C77 C72 B1 121.0(10) . . ?
C26 C73 H73 116.9 . . ?
C72 C73 C26 126.2(12) . . ?
C72 C73 H73 116.9 . . ?
C35 C74 Br1 119.1(10) . . ?
C75 C74 Br1 119.5(11) . . ?
C75 C74 C35 121.1(12) . . ?
C74 C75 H75 120.5 . . ?
C76 C75 C74 118.9(12) . . ?
C76 C75 H75 120.5 . . ?
C33 C76 H76 118.2 . . ?
C75 C76 C33 123.6(11) . . ?
C75 C76 H76 118.2 . . ?
C72 C77 H77 119.2 . . ?
C79 C77 C72 121.6(12) . . ?
C79 C77 H77 119.2 . . ?
C27 C78 H78 119.2 . . ?
C80 C78 C27 121.7(12) . . ?
C80 C78 H78 119.2 . . ?
C13 C79 C77 121.1(12) . . ?
C13 C79 H79 119.4 . . ?
C77 C79 H79 119.4 . . ?
C62 C80 H80 119.0 . . ?
C78 C80 C62 121.9(12) . . ?
C78 C80 H80 119.0 . . ?
C51 C81 C56 120.8(11) . . ?
C51 C81 H81 119.6 . . ?
C56 C81 H81 119.6 . . ?
C53 C82 H82 120.1 . . ?
C53 C82 C84 119.8(14) . . ?
C84 C82 H82 120.1 . . ?
C71 C83 H83 119.9 . . ?
C84 C83 C71 120.3(14) . . ?
C84 C83 H83 119.9 . . ?
C82 C84 H84 120.1 . . ?
C83 C84 C82 119.8(13) . . ?
C83 C84 H84 120.1 . . ?
Cl2 C87 H87A 109.6 . . ?
Cl2 C87 H87B 109.6 . . ?
Cl1 C87 Cl2 110.4(10) . . ?
Cl1 C87 H87A 109.6 . . ?
Cl1 C87 H87B 109.6 . . ?
H87A C87 H87B 108.1 . . ?
Cl3 C88 Cl4 117.0(17) . . ?
Cl3 C88 H88A 108.1 . . ?
Cl3 C88 H88B 108.1 . . ?
Cl4 C88 H88A 108.1 . . ?
Cl4 C88 H88B 108.1 . . ?
H88A C88 H88B 107.3 . . ?
H3A O3 H3B 106.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N4 C2 C5 -7.2(10) . . . . ?
Dy1 N4 C2 C22 174.4(7) . . . . ?
Dy1 N4 C6 C30 7.4(10) . . . . ?
Dy1 N4 C6 C32 -173.8(7) . . . . ?
Dy1 N3 C5 C2 10.2(11) . . . . ?
Dy1 N3 C14 C1 -32.2(9) . . . . ?
Dy1 N3 C14 C69 -155.1(6) . . . . ?
Dy1 N2 C1 C14 -55.3(8) . . . . ?
Dy1 N2 C1 C17 -178.8(6) . . . . ?
Dy1 N2 C12 C38 -3.4(11) . . . . ?
Dy1 N6 C8 C23 15.9(11) . . . . ?
Dy1 N6 C21 C19 -149.5(6) . . . . ?
Dy1 N6 C21 C24 -26.3(9) . . . . ?
Dy1 N1 C23 C8 -18.4(10) . . . . ?
Dy1 N1 C23 C40 164.9(7) . . . . ?
Dy1 N1 C38 C12 13.0(9) . . . . ?
Dy1 N1 C38 C46 -167.2(7) . . . . ?
Dy1 N5 C24 C21 -54.9(8) . . . . ?
Dy1 N5 C24 C42 178.5(6) . . . . ?
Dy1 N5 C30 C6 -6.6(11) . . . . ?
Si1 C3 C86 C85 -177.6(6) . . . . ?
Si1 C3 C28 C49 177.6(6) . . . . ?
Si1 C11 C58 C65 -179.7(9) . . . . ?
Si1 C29 C41 C56 178.5(11) . . . . ?
Br1 C74 C75 C76 171.1(11) . . . . ?
Si2 C18 C55 C67 -175.7(8) . . . . ?
Si2 C27 C78 C80 174.9(12) . . . . ?
Si2 C43 C53 C82 -177.5(9) . . . . ?
Si2 C43 C71 C83 176.3(11) . . . . ?
O1 Si1 C11 C10 -142.9(8) . . . . ?
O1 Si1 C11 C58 37.8(9) . . . . ?
O1 Si1 C29 C15 63.2(8) . . . . ?
O1 Si1 C29 C41 -113.5(9) . . . . ?
N4 C2 C5 N3 -2.2(13) . . . . ?
N4 C2 C22 C48 -0.1(16) . . . . ?
N4 C6 C30 N5 -0.5(13) . . . . ?
N4 C6 C32 C48 -1.1(16) . . . . ?
O2 Si2 C18 C4 14.1(9) . . . . ?
O2 Si2 C18 C55 -169.4(7) . . . . ?
O2 Si2 C27 C25 84.7(9) . . . . ?
O2 Si2 C27 C78 -91.8(10) . . . . ?
O2 Si2 C43 C53 -164.5(8) . . . . ?
O2 Si2 C43 C71 18.4(10) . . . . ?
N3 C14 C69 C47 175.8(9) . . . . ?
N2 C1 C14 N3 53.2(9) . . . . ?
N2 C1 C14 C69 179.3(8) . . . . ?
N2 C1 C17 C36 177.2(8) . . . . ?
N2 C12 C38 N1 -6.4(12) . . . . ?
N2 C12 C38 C46 173.8(8) . . . . ?
N6 C8 C23 N1 1.0(13) . . . . ?
N6 C8 C23 C40 177.8(9) . . . . ?
N6 C21 C24 N5 49.1(9) . . . . ?
N6 C21 C24 C42 178.9(7) . . . . ?
N1 C23 C40 C9 1.8(15) . . . . ?
N1 C38 C46 C9 2.5(14) . . . . ?
C1 N2 C12 C38 -179.9(7) . . . . ?
C1 C14 C69 C47 54.8(12) . . . . ?
C1 C17 C36 C47 -56.3(12) . . . . ?
C2 N4 C6 C30 -176.7(8) . . . . ?
C2 N4 C6 C32 2.2(13) . . . . ?
C2 C22 C48 C32 1.1(17) . . . . ?
N5 C24 C42 C39 -178.9(8) . . . . ?
C3 Si1 C11 C10 96.3(9) . . . . ?
C3 Si1 C11 C58 -83.0(8) . . . . ?
C3 Si1 C29 C15 -173.7(7) . . . . ?
C3 Si1 C29 C41 9.5(10) . . . . ?
C3 C86 C85 C68 0.0 . . . . ?
C86 C3 C28 C49 0.0 . . . . ?
C86 C85 C68 C49 0.0 . . . . ?
C85 C68 C49 C28 0.0 . . . . ?
C68 C49 C28 C3 0.0 . . . . ?
C28 C3 C86 C85 0.0 . . . . ?
C4 C18 C55 C67 0.9(14) . . . . ?
C4 C44 C61 C67 4(2) . . . . ?
C5 N3 C14 C1 157.1(8) . . . . ?
C5 N3 C14 C69 34.2(12) . . . . ?
C5 C2 C22 C48 -178.4(10) . . . . ?
C6 N4 C2 C5 176.8(8) . . . . ?
C6 N4 C2 C22 -1.6(13) . . . . ?
C6 C32 C48 C22 -0.6(18) . . . . ?
C7 C31 B1 C16 146.4(10) . . . . ?
C7 C31 B1 C33 -87.9(12) . . . . ?
C7 C31 B1 C72 29.9(14) . . . . ?
C7 C31 C60 C37 0.4(16) . . . . ?
C7 C52 C54 C37 0.8(19) . . . . ?
C8 N6 C21 C19 45.1(12) . . . . ?
C8 N6 C21 C24 168.3(8) . . . . ?
C8 C23 C40 C9 -174.7(9) . . . . ?
C10 C11 C58 C65 0.9(15) . . . . ?
C11 Si1 C29 C15 -58.0(8) . . . . ?
C11 Si1 C29 C41 125.3(9) . . . . ?
C11 C10 C70 C50 -0.8(17) . . . . ?
C11 C58 C65 C50 -1.0(18) . . . . ?
C12 N2 C1 C14 121.4(9) . . . . ?
C12 N2 C1 C17 -2.1(11) . . . . ?
C12 C38 C46 C9 -177.7(9) . . . . ?
C13 C26 C73 C72 1.5(19) . . . . ?
C14 N3 C5 C2 -178.8(8) . . . . ?
C14 C1 C17 C36 56.5(11) . . . . ?
C15 C29 C41 C56 1.7(18) . . . . ?
C15 C51 C81 C56 0(2) . . . . ?
C16 C45 C59 C64 -0.7(17) . . . . ?
C16 B1 C72 C73 -72.0(12) . . . . ?
C16 B1 C72 C77 111.2(10) . . . . ?
C16 C63 C66 C64 0.2(18) . . . . ?
C17 C1 C14 N3 178.8(7) . . . . ?
C17 C1 C14 C69 -55.1(10) . . . . ?
C17 C36 C47 C69 56.1(13) . . . . ?
C18 Si2 C27 C25 -37.8(9) . . . . ?
C18 Si2 C27 C78 145.6(9) . . . . ?
C18 Si2 C43 C53 -44.2(10) . . . . ?
C18 Si2 C43 C71 138.7(9) . . . . ?
C18 C4 C44 C61 -3(2) . . . . ?
C18 C55 C67 C61 -0.1(17) . . . . ?
C19 C20 C39 C42 56.3(12) . . . . ?
C19 C21 C24 N5 175.0(7) . . . . ?
C19 C21 C24 C42 -55.2(10) . . . . ?
C20 C19 C21 N6 177.1(8) . . . . ?
C20 C19 C21 C24 55.5(11) . . . . ?
C20 C39 C42 C24 -56.2(11) . . . . ?
C21 N6 C8 C23 -178.0(8) . . . . ?
C21 C19 C20 C39 -56.3(12) . . . . ?
C21 C24 C42 C39 56.3(10) . . . . ?
C22 C2 C5 N3 176.2(9) . . . . ?
C23 N1 C38 C12 178.4(7) . . . . ?
C23 N1 C38 C46 -1.7(12) . . . . ?
C24 N5 C30 C6 174.1(8) . . . . ?
C25 C27 C78 C80 -1.8(19) . . . . ?
C25 C57 C62 C80 -5(2) . . . . ?
C26 C13 C79 C77 2.1(18) . . . . ?
C27 Si2 C18 C4 137.6(8) . . . . ?
C27 Si2 C18 C55 -45.9(8) . . . . ?
C27 Si2 C43 C53 73.3(9) . . . . ?
C27 Si2 C43 C71 -103.8(10) . . . . ?
C27 C25 C57 C62 1.5(18) . . . . ?
C27 C78 C80 C62 -2(3) . . . . ?
C29 Si1 C11 C10 -20.9(10) . . . . ?
C29 Si1 C11 C58 159.8(8) . . . . ?
C29 C15 C51 C81 -1.5(18) . . . . ?
C29 C41 C56 C81 -3(2) . . . . ?
C30 N5 C24 C21 124.4(9) . . . . ?
C30 N5 C24 C42 -2.2(12) . . . . ?
C30 C6 C32 C48 177.7(10) . . . . ?
C31 C7 C52 C54 -0.9(18) . . . . ?
C31 B1 C72 C73 45.4(14) . . . . ?
C31 B1 C72 C77 -131.4(10) . . . . ?
C32 C6 C30 N5 -179.4(9) . . . . ?
C33 C34 C35 C74 2.7(18) . . . . ?
C33 B1 C72 C73 164.4(10) . . . . ?
C33 B1 C72 C77 -12.3(13) . . . . ?
C34 C33 B1 C16 158.1(8) . . . . ?
C34 C33 B1 C31 34.9(12) . . . . ?
C34 C33 B1 C72 -81.9(11) . . . . ?
C34 C33 C76 C75 -0.8(16) . . . . ?
C34 C35 C74 Br1 -173.9(10) . . . . ?
C34 C35 C74 C75 0(2) . . . . ?
C35 C74 C75 C76 -2(2) . . . . ?
C36 C47 C69 C14 -55.9(13) . . . . ?
C38 N1 C23 C8 176.2(7) . . . . ?
C38 N1 C23 C40 -0.5(13) . . . . ?
C40 C9 C46 C38 -1.0(16) . . . . ?
C41 C56 C81 C51 2(3) . . . . ?
C43 Si2 C18 C4 -106.1(8) . . . . ?
C43 Si2 C18 C55 70.4(8) . . . . ?
C43 Si2 C27 C25 -154.2(8) . . . . ?
C43 Si2 C27 C78 29.2(10) . . . . ?
C43 C53 C82 C84 -0.2(18) . . . . ?
C43 C71 C83 C84 3(2) . . . . ?
C44 C4 C18 Si2 177.3(10) . . . . ?
C44 C4 C18 C55 0.6(16) . . . . ?
C44 C61 C67 C55 -2.2(19) . . . . ?
C45 C16 B1 C31 87.0(11) . . . . ?
C45 C16 B1 C33 -36.8(12) . . . . ?
C45 C16 B1 C72 -157.2(9) . . . . ?
C45 C16 C63 C66 1.2(15) . . . . ?
C45 C59 C64 C66 2.2(18) . . . . ?
C46 C9 C40 C23 -1.0(16) . . . . ?
C51 C15 C29 Si1 -176.5(8) . . . . ?
C51 C15 C29 C41 0.5(15) . . . . ?
C52 C7 C31 B1 174.9(10) . . . . ?
C52 C7 C31 C60 0.3(15) . . . . ?
B1 C16 C45 C59 -177.6(9) . . . . ?
B1 C16 C63 C66 177.7(10) . . . . ?
B1 C31 C60 C37 -174.4(11) . . . . ?
B1 C33 C34 C35 171.9(10) . . . . ?
B1 C33 C76 C75 -174.5(11) . . . . ?
B1 C72 C73 C26 -176.8(11) . . . . ?
B1 C72 C77 C79 176.4(10) . . . . ?
C53 C43 C71 C83 -1.1(18) . . . . ?
C53 C82 C84 C83 2(2) . . . . ?
C54 C37 C60 C31 -0.5(19) . . . . ?
C57 C25 C27 Si2 -174.6(8) . . . . ?
C57 C25 C27 C78 2.2(16) . . . . ?
C57 C62 C80 C78 6(3) . . . . ?
C59 C64 C66 C63 -2.0(18) . . . . ?
C60 C31 B1 C16 -39.3(14) . . . . ?
C60 C31 B1 C33 86.4(11) . . . . ?
C60 C31 B1 C72 -155.8(10) . . . . ?
C60 C37 C54 C52 -0.1(19) . . . . ?
C63 C16 C45 C59 -0.9(15) . . . . ?
C63 C16 B1 C31 -89.2(12) . . . . ?
C63 C16 B1 C33 146.9(10) . . . . ?
C63 C16 B1 C72 26.6(13) . . . . ?
C65 C50 C70 C10 0.8(17) . . . . ?
C70 C10 C11 Si1 -179.3(8) . . . . ?
C70 C10 C11 C58 0.0(15) . . . . ?
C70 C50 C65 C58 0.2(19) . . . . ?
C71 C43 C53 C82 -0.2(17) . . . . ?
C71 C83 C84 C82 -3(2) . . . . ?
C72 C77 C79 C13 -0.4(18) . . . . ?
C73 C72 C77 C79 -0.7(15) . . . . ?
C74 C75 C76 C33 3(2) . . . . ?
C76 C33 C34 C35 -2.2(15) . . . . ?
C76 C33 B1 C16 -28.4(13) . . . . ?
C76 C33 B1 C31 -151.7(10) . . . . ?
C76 C33 B1 C72 91.6(12) . . . . ?
C77 C72 C73 C26 0.1(17) . . . . ?
C79 C13 C26 C73 -2.6(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
