# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2025

####################################################################### 
# 
# 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. 
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data_complex-1_am621
_database_code_depnum_ccdc_archive 'CCDC 2388322'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2024-12-15 deposited with the CCDC.	2024-12-24 downloaded from the CCDC.
;
_audit_creation_date             2024-12-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H30 Cu Gd N5 O14'
_chemical_formula_sum            'C24 H30 Cu Gd N5 O14'
_chemical_formula_weight         833.32
_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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.0211(14)
_cell_length_b                   17.798(2)
_cell_length_c                   15.593(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.331(4)
_cell_angle_gamma                90
_cell_volume                     3053.5(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    468
_cell_measurement_temperature    150.02
_cell_measurement_theta_max      25.86
_cell_measurement_theta_min      2.98
_shelx_estimated_absorpt_T_max   0.944
_shelx_estimated_absorpt_T_min   0.387
_exptl_absorpt_coefficient_mu    2.925
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_correction_T_min  0.455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADBAS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0344
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            43455
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.429
_diffrn_reflns_theta_min         2.483
_diffrn_ambient_temperature      150.02
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5042
_reflns_number_total             6271
_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       Apex-II
_computing_data_collection       Apex-II
_computing_data_reduction        Apex-II
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.472
_refine_diff_density_min         -1.279
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         6271
_refine_ls_number_restraints     304
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0402
_refine_ls_restrained_S_all      1.092
_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)+(0.0318P)²+12.3233P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.0962
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C11A-C12
 1.4 with sigma of 0.02
 C15-C11
 1.4 with sigma of 0.02
 C13-C15 = C11-C13B = C12-C11A
 1.5 with sigma of 0.01
 C25-C11B = C11B-C27A
 1.5 with sigma of 0.01
 C25-C11A = C11A-C27A
 1.55 with sigma of 0.01
 C26-C10 = C10-C13A
 1.55 with sigma of 0.01
 C15-C11 = C11-C13B
 1.55 with sigma of 0.01
 C13-C11B = C11B-C12
 1.55 with sigma of 0.01
 C13B-C12
 1.55 with sigma of 0.01
 C13A-C27A
 1.55 with sigma of 0.01
 N1-C25
 1.5 with sigma of 0.01
 N1-C13
 1.5 with sigma of 0.01
 N2-C15
 1.5 with sigma of 0.01
 N2-C26
 1.5 with sigma of 0.01
 C25-C26
 1.55 with sigma of 0.01
 C13-C15
 1.55 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C13 \\sim C15 \\sim C26 \\sim C11 \\sim C13A \\sim C13B \\sim C12 \\sim C27A
\\sim C11B \\sim C25 \\sim C11A: within 1.7A with sigma of 0.02 and sigma for
terminal atoms of 0.02 within 1.7A
C15 \\sim C13 \\sim C11B \\sim C11A \\sim C25 \\sim C11 \\sim C26 \\sim C10
\\sim C13A \\sim C12 \\sim C27A \\sim C13B: within 1.7A with sigma of 0.02 and
sigma for terminal atoms of 0.02 within 1.7A
Uanis(C11A) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C26)
\\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C13B) \\sim Ueq, Uanis(C13A) \\sim Ueq,
Uanis(C12) \\sim Ueq, Uanis(C27A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C13B, C11A, C11B, C27A, C12, C13A, C26, C15, C13, C25
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C13, C15, C26, C11, C13A, C13B, C12, C27A, C11B, C11A, C25
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C13, C15, C11, C13B, C12, C11A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Others
 Fixed Sof: C11B(0.3) H11A(0.3) H11B(0.3) C13(0.7) H13(0.7) C12(0.7) H12A(0.7)
 H12B(0.7) C15(0.7) H15(0.7) C13B(0.7) H13A(0.7) H13B(0.7) C25(0.3) H25(0.3)
 C26(0.3) H26(0.3) C13A(0.3) H13C(0.3) H13D(0.3) C27A(0.3) H27A(0.3) H27B(0.3)
 C11A(0.7) H11C(0.7) H11D(0.7) C11(0.7) H11E(0.7) H11F(0.7) C10(0.3) H10A(0.3)
 H10B(0.3)
6.a Rotating group:
 O14(H14A,H14B)
6.b Ternary CH refined with riding coordinates:
 C13(H13), C15(H15), C25(H25), C26(H26)
6.c Secondary CH2 refined with riding coordinates:
 C11B(H11A,H11B), C12(H12A,H12B), C13B(H13A,H13B), C13A(H13C,H13D), C27A(H27A,
 H27B), C11A(H11C,H11D), C11(H11E,H11F), C10(H10A,H10B)
6.d Aromatic/amide H refined with riding coordinates:
 C4(H4), C21(H21), C16(H16), C18(H18), C7(H7), C9(H9)
6.e Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C23(H23A,H23B,H23C), C3(H3A,H3B,H3C), C20(H20A,H20B,H20C)
;
_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
Gd1 Gd 0.54338(3) 0.23431(2) 0.50298(2) 0.02920(9) Uani 1 1 d . . . . .
Cu1 Cu 0.60718(6) 0.37491(3) 0.36378(4) 0.03213(16) Uani 1 1 d . . . . .
O4 O 0.6626(4) 0.3099(2) 0.6336(2) 0.0356(9) Uani 1 1 d . . . . .
O2 O 0.5743(4) 0.26991(19) 0.3619(2) 0.0361(9) Uani 1 1 d . . . . .
O1 O 0.5627(4) 0.12994(19) 0.3910(2) 0.0367(9) Uani 1 1 d . . . . .
O3 O 0.5940(3) 0.36224(19) 0.4854(2) 0.0322(8) Uani 1 1 d . . . . .
O11 O 0.7676(4) 0.2272(2) 0.4890(3) 0.0469(10) Uani 1 1 d . . . . .
O14 O 0.8244(4) 0.3563(2) 0.3732(3) 0.0518(11) Uani 1 1 d . . . . .
H14A H 0.849739 0.344717 0.322236 0.078 Uiso 1 1 d R U . . .
H14B H 0.842759 0.316256 0.404866 0.078 Uiso 1 1 d R U . . .
O9 O 0.4732(4) 0.2135(2) 0.6546(2) 0.0440(10) Uani 1 1 d . . . . .
O10 O 0.3826(5) 0.1138(2) 0.6959(3) 0.0616(14) Uani 1 1 d . . . . .
O6 O 0.3427(4) 0.2932(2) 0.5146(3) 0.0511(11) Uani 1 1 d . . . . .
O12 O 0.6846(5) 0.1446(2) 0.5685(3) 0.0541(12) Uani 1 1 d . . . . .
O7 O 0.1789(4) 0.2688(3) 0.4340(3) 0.0647(13) Uani 1 1 d . . . . .
N2 N 0.6174(5) 0.4830(3) 0.3696(3) 0.0444(12) Uani 1 1 d D . . . .
N3 N 0.2872(5) 0.2579(3) 0.4529(3) 0.0436(12) Uani 1 1 d . . . . .
O8 O 0.4246(5) 0.1278(2) 0.5621(3) 0.0567(12) Uani 1 1 d . . . . .
O5 O 0.3499(4) 0.2135(3) 0.4131(3) 0.0596(13) Uani 1 1 d . . . . .
N1 N 0.5945(5) 0.3872(3) 0.2417(3) 0.0507(14) Uani 1 1 d D . . . .
C4 C 0.5464(5) 0.1003(3) 0.2365(3) 0.0364(12) Uani 1 1 d . . . . .
H4 H 0.537548 0.048088 0.246956 0.044 Uiso 1 1 calc R U . . .
N4 N 0.4266(5) 0.1516(3) 0.6402(3) 0.0433(12) Uani 1 1 d . . . . .
C17 C 0.6670(5) 0.4880(3) 0.5210(4) 0.0348(12) Uani 1 1 d . . . . .
C24 C 0.6476(5) 0.4116(3) 0.5409(3) 0.0300(11) Uani 1 1 d . . . . .
C5 C 0.5480(5) 0.1272(4) 0.1515(4) 0.0431(14) Uani 1 1 d . . . . .
C2 C 0.5576(5) 0.1497(3) 0.3041(3) 0.0323(12) Uani 1 1 d . . . . .
C6 C 0.5321(6) 0.0725(4) 0.0773(4) 0.0527(17) Uani 1 1 d . . . . .
H6A H 0.573427 0.025274 0.092622 0.079 Uiso 1 1 calc R U . . .
H6B H 0.567106 0.094059 0.026415 0.079 Uiso 1 1 calc R U . . .
H6C H 0.445275 0.062918 0.064769 0.079 Uiso 1 1 calc R U . . .
C22 C 0.6839(5) 0.3857(3) 0.6226(4) 0.0335(12) Uani 1 1 d . . . . .
C8 C 0.5738(5) 0.2545(3) 0.2068(3) 0.0371(13) Uani 1 1 d . . . . .
C1 C 0.5692(5) 0.2272(3) 0.2918(3) 0.0303(11) Uani 1 1 d . . . . .
N5 N 0.7818(6) 0.1732(4) 0.5418(4) 0.0575(16) Uani 1 1 d . . . . .
C21 C 0.7345(5) 0.4330(3) 0.6851(4) 0.0412(14) Uani 1 1 d . . . . .
H21 H 0.758686 0.413589 0.740214 0.049 Uiso 1 1 calc R U . . .
O13 O 0.8806(6) 0.1498(4) 0.5671(4) 0.100(2) Uani 1 1 d . . . . .
C16 C 0.6443(5) 0.5200(3) 0.4377(4) 0.0409(14) Uani 1 1 d . . . . .
H16 H 0.649596 0.573111 0.432792 0.049 Uiso 1 1 calc R U . . .
C18 C 0.7180(5) 0.5350(3) 0.5876(4) 0.0435(15) Uani 1 1 d . . . . .
H18 H 0.730051 0.586672 0.575561 0.052 Uiso 1 1 calc R U . . .
C19 C 0.7503(6) 0.5092(3) 0.6679(4) 0.0455(15) Uani 1 1 d . . . . .
C7 C 0.5635(5) 0.2029(4) 0.1389(3) 0.0414(14) Uani 1 1 d . . . . .
H7 H 0.567374 0.221026 0.081871 0.050 Uiso 1 1 calc R U . . .
C9 C 0.5874(6) 0.3342(4) 0.1874(4) 0.0524(17) Uani 1 1 d . . . . .
H9 H 0.591240 0.347519 0.128636 0.063 Uiso 1 1 calc R U . . .
C23 C 0.7155(6) 0.2773(3) 0.7115(4) 0.0447(15) Uani 1 1 d . . . . .
H23A H 0.675962 0.298129 0.760931 0.067 Uiso 1 1 calc R U . . .
H23B H 0.802598 0.288790 0.716783 0.067 Uiso 1 1 calc R U . . .
H23C H 0.704095 0.222679 0.709910 0.067 Uiso 1 1 calc R U . . .
C11B C 0.548(3) 0.4995(12) 0.1375(14) 0.054(4) Uani 0.3 1 d D U P A -1
H11A H 0.490054 0.470182 0.100204 0.065 Uiso 0.3 1 calc R U P A -1
H11B H 0.630033 0.492662 0.115220 0.065 Uiso 0.3 1 calc R U P A -1
C3 C 0.5494(7) 0.0512(3) 0.4102(4) 0.0536(18) Uani 1 1 d . . . . .
H3A H 0.566772 0.042852 0.471804 0.080 Uiso 1 1 calc R U . . .
H3B H 0.606396 0.021911 0.377618 0.080 Uiso 1 1 calc R U . . .
H3C H 0.466058 0.035238 0.394132 0.080 Uiso 1 1 calc R U . . .
C20 C 0.8027(7) 0.5618(4) 0.7369(5) 0.068(2) Uani 1 1 d . . . . .
H20A H 0.736692 0.582672 0.768931 0.103 Uiso 1 1 calc R U . . .
H20B H 0.846448 0.602679 0.710081 0.103 Uiso 1 1 calc R U . . .
H20C H 0.858903 0.533955 0.776186 0.103 Uiso 1 1 calc R U . . .
C13 C 0.6277(10) 0.4655(4) 0.2169(5) 0.0504(19) Uani 0.7 1 d D U P A 1
H13 H 0.718104 0.470640 0.222887 0.060 Uiso 0.7 1 calc R U P A 1
C12 C 0.6052(12) 0.5722(5) 0.1149(7) 0.069(2) Uani 0.7 1 d D U P A 1
H12A H 0.567704 0.587339 0.058319 0.083 Uiso 0.7 1 calc R U P A 1
H12B H 0.693771 0.581230 0.113869 0.083 Uiso 0.7 1 calc R U P A 1
C15 C 0.5724(10) 0.5147(5) 0.2848(5) 0.052(2) Uani 0.7 1 d D U P A 1
H15 H 0.482106 0.508674 0.279210 0.062 Uiso 0.7 1 calc R U P A 1
C13B C 0.5539(12) 0.6224(7) 0.1847(7) 0.071(3) Uani 0.7 1 d D U P A 1
H13A H 0.577092 0.675277 0.174841 0.085 Uiso 0.7 1 calc R U P A 1
H13B H 0.464084 0.619264 0.180992 0.085 Uiso 0.7 1 calc R U P A 1
C25 C 0.5497(17) 0.4682(6) 0.2268(12) 0.045(3) Uani 0.3 1 d D U P A -1
H25 H 0.467392 0.474090 0.249795 0.054 Uiso 0.3 1 calc R U P A -1
C26 C 0.6441(19) 0.5152(10) 0.2825(7) 0.040(3) Uani 0.3 1 d D U P A -1
H26 H 0.729608 0.505595 0.267210 0.048 Uiso 0.3 1 calc R U P A -1
C13A C 0.615(2) 0.6266(15) 0.1824(15) 0.057(4) Uani 0.3 1 d D U P A -1
H13C H 0.695583 0.616264 0.160672 0.069 Uiso 0.3 1 calc R U P A -1
H13D H 0.598224 0.681146 0.177943 0.069 Uiso 0.3 1 calc R U P A -1
C27A C 0.515(2) 0.5813(11) 0.1308(15) 0.057(4) Uani 0.3 1 d D U P A -1
H27A H 0.434675 0.589871 0.154683 0.068 Uiso 0.3 1 calc R U P A -1
H27B H 0.509910 0.597322 0.069866 0.068 Uiso 0.3 1 calc R U P A -1
C11A C 0.5845(12) 0.4900(6) 0.1270(8) 0.058(3) Uani 0.7 1 d D U P A 1
H11C H 0.628821 0.461357 0.084214 0.070 Uiso 0.7 1 calc R U P A 1
H11D H 0.496747 0.478749 0.117300 0.070 Uiso 0.7 1 calc R U P A 1
C11 C 0.602(2) 0.5980(6) 0.2733(9) 0.059(3) Uani 0.7 1 d D U P A 1
H11E H 0.564030 0.628193 0.317758 0.070 Uiso 0.7 1 calc R U P A 1
H11F H 0.691213 0.605744 0.279486 0.070 Uiso 0.7 1 calc R U P A 1
C10 C 0.609(5) 0.5998(13) 0.2762(18) 0.054(4) Uani 0.3 1 d D U P A -1
H10A H 0.526056 0.607076 0.295688 0.065 Uiso 0.3 1 calc R U P A -1
H10B H 0.666054 0.629738 0.313884 0.065 Uiso 0.3 1 calc R U P A -1


_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
Gd1 O4 2.716(3) . ?
Gd1 O2 2.333(3) . ?
Gd1 O1 2.566(3) . ?
Gd1 O3 2.364(3) . ?
Gd1 O11 2.496(4) . ?
Gd1 O9 2.557(4) . ?
Gd1 O6 2.463(4) . ?
Gd1 O12 2.414(4) . ?
Gd1 N3 2.915(5) . ?
Gd1 O8 2.510(4) . ?
Gd1 O5 2.510(5) . ?
Gd1 N5 2.875(6) . ?
Cu1 O2 1.904(3) . ?
Cu1 O3 1.924(4) . ?
Cu1 O14 2.412(4) . ?
Cu1 N2 1.928(5) . ?
Cu1 N1 1.914(5) . ?
O4 C22 1.382(6) . ?
O4 C23 1.439(6) . ?
O2 C1 1.330(6) . ?
O1 C2 1.398(6) . ?
O1 C3 1.443(6) . ?
O3 C24 1.345(6) . ?
O11 N5 1.269(7) . ?
O14 H14A 0.8820 . ?
O14 H14B 0.8842 . ?
O9 N4 1.231(6) . ?
O10 N4 1.220(6) . ?
O6 N3 1.276(6) . ?
O12 N5 1.277(8) . ?
O7 N3 1.228(7) . ?
N2 C16 1.270(7) . ?
N2 C15 1.496(7) . ?
N2 C26 1.518(9) . ?
N3 O5 1.240(6) . ?
O8 N4 1.290(6) . ?
N1 C9 1.266(8) . ?
N1 C13 1.498(7) . ?
N1 C25 1.538(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.411(8) . ?
C4 C2 1.372(7) . ?
C17 C24 1.414(7) . ?
C17 C16 1.427(8) . ?
C17 C18 1.424(8) . ?
C24 C22 1.391(8) . ?
C5 C6 1.514(8) . ?
C5 C7 1.373(9) . ?
C2 C1 1.399(7) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C22 C21 1.382(7) . ?
C8 C1 1.414(7) . ?
C8 C7 1.401(8) . ?
C8 C9 1.460(8) . ?
N5 O13 1.211(7) . ?
C21 H21 0.9500 . ?
C21 C19 1.394(8) . ?
C16 H16 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.360(9) . ?
C19 C20 1.515(8) . ?
C7 H7 0.9500 . ?
C9 H9 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C11B H11A 0.9900 . ?
C11B H11B 0.9900 . ?
C11B C13 1.59(3) . ?
C11B C12 1.49(3) . ?
C11B C25 1.500(10) . ?
C11B C27A 1.504(10) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C13 H13 1.0000 . ?
C13 C15 1.528(6) . ?
C13 C25 0.883(19) . ?
C13 C26 1.357(18) . ?
C13 C11A 1.518(14) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13B 1.540(9) . ?
C12 C13A 1.43(3) . ?
C12 C27A 1.05(2) . ?
C12 C11A 1.495(8) . ?
C15 H15 1.0000 . ?
C15 C25 1.240(17) . ?
C15 C26 0.793(18) . ?
C15 C11 1.530(8) . ?
C15 C10 1.57(4) . ?
C13B H13A 0.9900 . ?
C13B H13B 0.9900 . ?
C13B C13A 0.68(2) . ?
C13B C27A 1.18(2) . ?
C13B C11 1.516(7) . ?
C13B C10 1.57(4) . ?
C25 H25 1.0000 . ?
C25 C26 1.559(10) . ?
C25 C11A 1.67(3) . ?
C26 H26 1.0000 . ?
C26 C11 1.55(3) . ?
C26 C10 1.556(10) . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C13A C27A 1.551(10) . ?
C13A C11 1.52(4) . ?
C13A C10 1.543(10) . ?
C27A H27A 0.9900 . ?
C27A H27B 0.9900 . ?
C27A C11A 1.80(3) . ?
C11A H11C 0.9900 . ?
C11A H11D 0.9900 . ?
C11 H11E 0.9900 . ?
C11 H11F 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 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
O4 Gd1 N3 123.25(13) . . ?
O4 Gd1 N5 68.49(13) . . ?
O2 Gd1 O4 118.82(12) . . ?
O2 Gd1 O1 62.15(11) . . ?
O2 Gd1 O3 65.23(12) . . ?
O2 Gd1 O11 74.46(14) . . ?
O2 Gd1 O9 168.44(14) . . ?
O2 Gd1 O6 97.75(15) . . ?
O2 Gd1 O12 116.93(15) . . ?
O2 Gd1 N3 84.29(14) . . ?
O2 Gd1 O8 131.23(13) . . ?
O2 Gd1 O5 71.30(15) . . ?
O2 Gd1 N5 96.87(16) . . ?
O1 Gd1 O4 144.41(12) . . ?
O1 Gd1 N3 92.25(13) . . ?
O1 Gd1 N5 76.02(14) . . ?
O3 Gd1 O4 60.15(12) . . ?
O3 Gd1 O1 126.09(12) . . ?
O3 Gd1 O11 78.29(14) . . ?
O3 Gd1 O9 109.43(12) . . ?
O3 Gd1 O6 79.52(14) . . ?
O3 Gd1 O12 122.34(16) . . ?
O3 Gd1 N3 93.56(13) . . ?
O3 Gd1 O8 154.42(14) . . ?
O3 Gd1 O5 106.05(15) . . ?
O3 Gd1 N5 99.77(17) . . ?
O11 Gd1 O4 69.66(12) . . ?
O11 Gd1 O1 77.43(13) . . ?
O11 Gd1 O9 115.30(14) . . ?
O11 Gd1 N3 158.74(14) . . ?
O11 Gd1 O8 122.26(16) . . ?
O11 Gd1 O5 139.19(14) . . ?
O11 Gd1 N5 26.13(16) . . ?
O9 Gd1 O4 62.44(12) . . ?
O9 Gd1 O1 124.44(12) . . ?
O9 Gd1 N3 85.89(14) . . ?
O9 Gd1 N5 94.15(16) . . ?
O6 Gd1 O4 97.54(13) . . ?
O6 Gd1 O1 117.93(14) . . ?
O6 Gd1 O11 157.73(14) . . ?
O6 Gd1 O9 70.87(15) . . ?
O6 Gd1 N3 25.72(13) . . ?
O6 Gd1 O8 78.73(16) . . ?
O6 Gd1 O5 50.72(14) . . ?
O6 Gd1 N5 163.47(15) . . ?
O12 Gd1 O4 74.82(13) . . ?
O12 Gd1 O1 74.48(13) . . ?
O12 Gd1 O11 52.15(16) . . ?
O12 Gd1 O9 74.63(15) . . ?
O12 Gd1 O6 144.03(17) . . ?
O12 Gd1 N3 143.02(17) . . ?
O12 Gd1 O8 71.47(18) . . ?
O12 Gd1 O5 130.12(17) . . ?
O12 Gd1 N5 26.12(16) . . ?
O8 Gd1 O4 109.81(13) . . ?
O8 Gd1 O1 76.61(13) . . ?
O8 Gd1 O9 50.12(13) . . ?
O8 Gd1 N3 71.90(16) . . ?
O8 Gd1 O5 69.46(17) . . ?
O8 Gd1 N5 97.27(19) . . ?
O5 Gd1 O4 148.23(13) . . ?
O5 Gd1 O1 67.33(14) . . ?
O5 Gd1 O9 101.66(15) . . ?
O5 Gd1 N3 25.01(13) . . ?
O5 Gd1 N5 142.91(15) . . ?
N5 Gd1 N3 165.82(16) . . ?
O2 Cu1 Gd1 40.87(11) . . ?
O2 Cu1 O3 82.82(15) . . ?
O2 Cu1 O14 93.08(17) . . ?
O2 Cu1 N2 172.1(2) . . ?
O2 Cu1 N1 95.37(18) . . ?
O3 Cu1 Gd1 42.00(10) . . ?
O3 Cu1 O14 93.17(16) . . ?
O3 Cu1 N2 94.48(18) . . ?
O14 Cu1 Gd1 95.80(11) . . ?
N2 Cu1 Gd1 135.66(15) . . ?
N2 Cu1 O14 94.52(19) . . ?
N1 Cu1 Gd1 135.28(14) . . ?
N1 Cu1 O3 171.5(2) . . ?
N1 Cu1 O14 95.2(2) . . ?
N1 Cu1 N2 86.2(2) . . ?
C22 O4 Gd1 117.9(3) . . ?
C22 O4 C23 115.8(4) . . ?
C23 O4 Gd1 126.0(3) . . ?
Cu1 O2 Gd1 106.86(15) . . ?
C1 O2 Gd1 128.2(3) . . ?
C1 O2 Cu1 125.0(3) . . ?
C2 O1 Gd1 118.5(3) . . ?
C2 O1 C3 116.5(4) . . ?
C3 O1 Gd1 123.3(3) . . ?
Cu1 O3 Gd1 104.99(15) . . ?
C24 O3 Gd1 130.8(3) . . ?
C24 O3 Cu1 120.1(3) . . ?
N5 O11 Gd1 93.8(4) . . ?
Cu1 O14 H14A 110.1 . . ?
Cu1 O14 H14B 109.8 . . ?
H14A O14 H14B 103.9 . . ?
N4 O9 Gd1 96.2(3) . . ?
N3 O6 Gd1 97.4(3) . . ?
N5 O12 Gd1 97.5(3) . . ?
C16 N2 Cu1 124.6(4) . . ?
C16 N2 C15 126.3(6) . . ?
C16 N2 C26 120.2(8) . . ?
C15 N2 Cu1 108.7(4) . . ?
C15 N2 C26 30.5(7) . . ?
C26 N2 Cu1 110.4(8) . . ?
O6 N3 Gd1 56.9(3) . . ?
O7 N3 Gd1 178.2(4) . . ?
O7 N3 O6 121.3(5) . . ?
O7 N3 O5 122.9(5) . . ?
O5 N3 Gd1 58.9(3) . . ?
O5 N3 O6 115.8(5) . . ?
N4 O8 Gd1 96.8(3) . . ?
N3 O5 Gd1 96.1(3) . . ?
C9 N1 Cu1 125.3(4) . . ?
C9 N1 C13 121.8(6) . . ?
C9 N1 C25 126.2(8) . . ?
C13 N1 Cu1 111.0(4) . . ?
C13 N1 C25 33.8(7) . . ?
C25 N1 Cu1 105.1(8) . . ?
C5 C4 H4 120.0 . . ?
C2 C4 H4 120.0 . . ?
C2 C4 C5 120.0(5) . . ?
O9 N4 Gd1 59.4(3) . . ?
O9 N4 O8 116.7(4) . . ?
O10 N4 Gd1 176.2(4) . . ?
O10 N4 O9 122.9(5) . . ?
O10 N4 O8 120.4(5) . . ?
O8 N4 Gd1 57.5(3) . . ?
C24 C17 C16 124.3(5) . . ?
C24 C17 C18 117.5(5) . . ?
C18 C17 C16 118.1(5) . . ?
O3 C24 C17 123.6(5) . . ?
O3 C24 C22 117.6(4) . . ?
C22 C24 C17 118.8(5) . . ?
C4 C5 C6 119.5(6) . . ?
C7 C5 C4 118.3(5) . . ?
C7 C5 C6 122.1(6) . . ?
O1 C2 C1 112.5(4) . . ?
C4 C2 O1 125.5(5) . . ?
C4 C2 C1 122.0(5) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O4 C22 C24 113.3(4) . . ?
C21 C22 O4 124.9(5) . . ?
C21 C22 C24 121.8(5) . . ?
C1 C8 C9 122.5(5) . . ?
C7 C8 C1 118.5(5) . . ?
C7 C8 C9 119.0(5) . . ?
O2 C1 C2 116.8(4) . . ?
O2 C1 C8 124.8(5) . . ?
C2 C1 C8 118.4(5) . . ?
O11 N5 Gd1 60.0(3) . . ?
O11 N5 O12 116.1(5) . . ?
O12 N5 Gd1 56.4(3) . . ?
O13 N5 Gd1 173.0(5) . . ?
O13 N5 O11 123.1(8) . . ?
O13 N5 O12 120.9(7) . . ?
C22 C21 H21 119.8 . . ?
C22 C21 C19 120.4(6) . . ?
C19 C21 H21 119.8 . . ?
N2 C16 C17 125.0(5) . . ?
N2 C16 H16 117.5 . . ?
C17 C16 H16 117.5 . . ?
C17 C18 H18 118.5 . . ?
C19 C18 C17 123.0(5) . . ?
C19 C18 H18 118.5 . . ?
C21 C19 C20 120.7(6) . . ?
C18 C19 C21 118.5(5) . . ?
C18 C19 C20 120.9(6) . . ?
C5 C7 C8 122.7(5) . . ?
C5 C7 H7 118.6 . . ?
C8 C7 H7 118.6 . . ?
N1 C9 C8 126.0(5) . . ?
N1 C9 H9 117.0 . . ?
C8 C9 H9 117.0 . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
H11A C11B H11B 107.6 . . ?
C13 C11B H11A 124.3 . . ?
C13 C11B H11B 76.0 . . ?
C12 C11B H11A 126.0 . . ?
C12 C11B H11B 67.7 . . ?
C12 C11B C13 107(2) . . ?
C12 C11B C25 124(2) . . ?
C12 C11B C27A 41.2(11) . . ?
C25 C11B H11A 108.7 . . ?
C25 C11B H11B 108.7 . . ?
C25 C11B C13 33.0(9) . . ?
C25 C11B C27A 114.4(17) . . ?
C27A C11B H11A 108.7 . . ?
C27A C11B H11B 108.7 . . ?
C27A C11B C13 123(2) . . ?
O1 C3 H3A 109.5 . . ?
O1 C3 H3B 109.5 . . ?
O1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 C13 C11B 115.1(12) . . ?
N1 C13 H13 108.5 . . ?
N1 C13 C15 104.0(6) . . ?
N1 C13 C11A 115.9(7) . . ?
C11B C13 H13 122.5 . . ?
C15 C13 C11B 95.6(10) . . ?
C15 C13 H13 108.5 . . ?
C25 C13 N1 75.6(8) . . ?
C25 C13 C11B 67.7(14) . . ?
C25 C13 H13 162.4 . . ?
C25 C13 C15 54.3(11) . . ?
C25 C13 C26 85.5(12) . . ?
C25 C13 C11A 83.7(15) . . ?
C26 C13 N1 115.8(7) . . ?
C26 C13 C11B 112.5(12) . . ?
C26 C13 H13 77.3 . . ?
C26 C13 C15 31.2(8) . . ?
C26 C13 C11A 122.1(10) . . ?
C11A C13 C11B 17.2(12) . . ?
C11A C13 H13 108.5 . . ?
C11A C13 C15 111.1(8) . . ?
C11B C12 H12A 106.7 . . ?
C11B C12 H12B 125.0 . . ?
C11B C12 C13B 99.2(12) . . ?
C11B C12 C11A 18.1(12) . . ?
H12A C12 H12B 107.6 . . ?
C13B C12 H12A 108.6 . . ?
C13B C12 H12B 108.6 . . ?
C13A C12 C11B 115.3(15) . . ?
C13A C12 H12A 118.7 . . ?
C13A C12 H12B 82.7 . . ?
C13A C12 C13B 26.0(10) . . ?
C13A C12 C11A 125.1(13) . . ?
C27A C12 C11B 70.2(13) . . ?
C27A C12 H12A 79.3 . . ?
C27A C12 H12B 157.8 . . ?
C27A C12 C13B 49.8(12) . . ?
C27A C12 C13A 75.6(13) . . ?
C27A C12 C11A 88.1(14) . . ?
C11A C12 H12A 108.6 . . ?
C11A C12 H12B 108.6 . . ?
C11A C12 C13B 114.4(10) . . ?
N2 C15 C13 105.7(6) . . ?
N2 C15 H15 108.2 . . ?
N2 C15 C11 114.0(8) . . ?
N2 C15 C10 111.4(15) . . ?
C13 C15 H15 108.2 . . ?
C13 C15 C11 112.2(10) . . ?
C13 C15 C10 112.2(15) . . ?
C25 C15 N2 115.7(8) . . ?
C25 C15 C13 35.3(9) . . ?
C25 C15 H15 73.0 . . ?
C25 C15 C11 126.7(11) . . ?
C25 C15 C10 128.5(14) . . ?
C26 C15 N2 76.3(9) . . ?
C26 C15 C13 62.4(13) . . ?
C26 C15 H15 170.7 . . ?
C26 C15 C25 97.7(15) . . ?
C26 C15 C11 76(2) . . ?
C26 C15 C10 74(2) . . ?
C11 C15 H15 108.2 . . ?
C11 C15 C10 3(2) . . ?
C10 C15 H15 110.8 . . ?
C12 C13B H13A 109.5 . . ?
C12 C13B H13B 109.5 . . ?
C12 C13B C10 110.8(14) . . ?
H13A C13B H13B 108.1 . . ?
C13A C13B C12 68(2) . . ?
C13A C13B H13A 67.8 . . ?
C13A C13B H13B 172.9 . . ?
C13A C13B C27A 111(3) . . ?
C13A C13B C11 78(3) . . ?
C13A C13B C10 75(3) . . ?
C27A C13B C12 43.1(12) . . ?
C27A C13B H13A 124.6 . . ?
C27A C13B H13B 66.4 . . ?
C27A C13B C11 124.6(15) . . ?
C27A C13B C10 126.6(16) . . ?
C11 C13B C12 110.7(11) . . ?
C11 C13B H13A 109.5 . . ?
C11 C13B H13B 109.5 . . ?
C11 C13B C10 3(2) . . ?
C10 C13B H13A 107.1 . . ?
C10 C13B H13B 111.8 . . ?
N1 C25 H25 109.5 . . ?
N1 C25 C26 102.8(11) . . ?
N1 C25 C11A 105.6(11) . . ?
C11B C25 N1 118.3(13) . . ?
C11B C25 H25 109.5 . . ?
C11B C25 C26 106.8(17) . . ?
C11B C25 C11A 15.9(12) . . ?
C13 C25 N1 70.6(8) . . ?
C13 C25 C11B 79(2) . . ?
C13 C25 C15 90.4(13) . . ?
C13 C25 H25 168.7 . . ?
C13 C25 C26 60.2(12) . . ?
C13 C25 C11A 64.6(14) . . ?
C15 C25 N1 117.8(11) . . ?
C15 C25 C11B 114.8(14) . . ?
C15 C25 H25 79.5 . . ?
C15 C25 C26 30.3(8) . . ?
C15 C25 C11A 118.5(12) . . ?
C26 C25 H25 109.5 . . ?
C26 C25 C11A 102.3(11) . . ?
C11A C25 H25 124.9 . . ?
N2 C26 C25 97.9(11) . . ?
N2 C26 H26 112.5 . . ?
N2 C26 C11 111.7(15) . . ?
N2 C26 C10 111.2(15) . . ?
C13 C26 N2 113.8(10) . . ?
C13 C26 C25 34.4(8) . . ?
C13 C26 H26 78.2 . . ?
C13 C26 C11 121.6(11) . . ?
C13 C26 C10 124.1(17) . . ?
C15 C26 N2 73.2(9) . . ?
C15 C26 C13 86.4(14) . . ?
C15 C26 C25 52.0(12) . . ?
C15 C26 H26 164.6 . . ?
C15 C26 C11 74(2) . . ?
C15 C26 C10 77(3) . . ?
C25 C26 H26 112.5 . . ?
C11 C26 C25 105.8(14) . . ?
C11 C26 H26 114.9 . . ?
C11 C26 C10 3(3) . . ?
C10 C26 C25 109(2) . . ?
C10 C26 H26 112.5 . . ?
C12 C13A H13C 69.6 . . ?
C12 C13A H13D 127.4 . . ?
C12 C13A C27A 41.2(11) . . ?
C12 C13A C11 117.0(17) . . ?
C12 C13A C10 119(2) . . ?
C13B C13A C12 86(2) . . ?
C13B C13A H13C 155.8 . . ?
C13B C13A H13D 86.3 . . ?
C13B C13A C27A 45.2(19) . . ?
C13B C13A C11 77(3) . . ?
C13B C13A C10 80(3) . . ?
H13C C13A H13D 108.8 . . ?
C27A C13A H13C 110.7 . . ?
C27A C13A H13D 110.7 . . ?
C11 C13A H13C 112.9 . . ?
C11 C13A H13D 111.6 . . ?
C11 C13A C27A 102.2(18) . . ?
C11 C13A C10 3(3) . . ?
C10 C13A H13C 110.7 . . ?
C10 C13A H13D 110.7 . . ?
C10 C13A C27A 105(3) . . ?
C11B C27A C13A 108(2) . . ?
C11B C27A H27A 110.2 . . ?
C11B C27A H27B 110.2 . . ?
C11B C27A C11A 12.7(13) . . ?
C12 C27A C11B 68.6(18) . . ?
C12 C27A C13B 87.2(15) . . ?
C12 C27A C13A 63.2(16) . . ?
C12 C27A H27A 171.4 . . ?
C12 C27A H27B 79.5 . . ?
C12 C27A C11A 56.1(11) . . ?
C13B C27A C11B 118(2) . . ?
C13B C27A C13A 24.1(12) . . ?
C13B C27A H27A 86.1 . . ?
C13B C27A H27B 120.2 . . ?
C13B C27A C11A 116.4(15) . . ?
C13A C27A H27A 110.2 . . ?
C13A C27A H27B 110.2 . . ?
C13A C27A C11A 101.3(16) . . ?
H27A C27A H27B 108.5 . . ?
C11A C27A H27A 122.9 . . ?
C11A C27A H27B 103.2 . . ?
C13 C11A C25 31.7(6) . . ?
C13 C11A C27A 109.9(11) . . ?
C13 C11A H11C 109.5 . . ?
C13 C11A H11D 109.5 . . ?
C12 C11A C13 110.8(10) . . ?
C12 C11A C25 112.9(10) . . ?
C12 C11A C27A 35.8(8) . . ?
C12 C11A H11C 109.5 . . ?
C12 C11A H11D 109.5 . . ?
C25 C11A C27A 93.3(11) . . ?
C25 C11A H11C 131.1 . . ?
C25 C11A H11D 79.6 . . ?
C27A C11A H11C 135.6 . . ?
C27A C11A H11D 76.8 . . ?
H11C C11A H11D 108.1 . . ?
C15 C11 C26 29.8(6) . . ?
C15 C11 H11E 110.0 . . ?
C15 C11 H11F 110.0 . . ?
C13B C11 C15 108.5(10) . . ?
C13B C11 C26 116.4(11) . . ?
C13B C11 C13A 25.7(9) . . ?
C13B C11 H11E 110.0 . . ?
C13B C11 H11F 110.0 . . ?
C26 C11 H11E 126.1 . . ?
C26 C11 H11F 80.5 . . ?
C13A C11 C15 117.7(13) . . ?
C13A C11 C26 111.2(17) . . ?
C13A C11 H11E 122.4 . . ?
C13A C11 H11F 84.3 . . ?
H11E C11 H11F 108.4 . . ?
C15 C10 H10A 81.6 . . ?
C15 C10 H10B 128.7 . . ?
C13B C10 C15 104(2) . . ?
C13B C10 H10A 85.9 . . ?
C13B C10 H10B 126.9 . . ?
C26 C10 C15 29.3(8) . . ?
C26 C10 C13B 113(2) . . ?
C26 C10 H10A 109.7 . . ?
C26 C10 H10B 109.7 . . ?
C13A C10 C15 114(2) . . ?
C13A C10 C13B 25.0(10) . . ?
C13A C10 C26 110(2) . . ?
C13A C10 H10A 109.7 . . ?
C13A C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?

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
Gd1 O4 C22 C24 -4.6(6) . . . . ?
Gd1 O4 C22 C21 174.6(4) . . . . ?
Gd1 O2 C1 C2 -8.0(7) . . . . ?
Gd1 O2 C1 C8 171.5(4) . . . . ?
Gd1 O1 C2 C4 -168.6(4) . . . . ?
Gd1 O1 C2 C1 13.3(6) . . . . ?
Gd1 O3 C24 C17 -177.2(4) . . . . ?
Gd1 O3 C24 C22 1.8(7) . . . . ?
Gd1 O11 N5 O12 6.4(5) . . . . ?
Gd1 O11 N5 O13 -172.7(6) . . . . ?
Gd1 O9 N4 O10 176.4(5) . . . . ?
Gd1 O9 N4 O8 -4.4(5) . . . . ?
Gd1 O6 N3 O7 179.4(5) . . . . ?
Gd1 O6 N3 O5 -1.8(6) . . . . ?
Gd1 O12 N5 O11 -6.6(5) . . . . ?
Gd1 O12 N5 O13 172.4(5) . . . . ?
Gd1 O8 N4 O9 4.5(6) . . . . ?
Gd1 O8 N4 O10 -176.3(5) . . . . ?
Cu1 O2 C1 C2 172.9(4) . . . . ?
Cu1 O2 C1 C8 -7.5(8) . . . . ?
Cu1 O3 C24 C17 29.4(6) . . . . ?
Cu1 O3 C24 C22 -151.7(4) . . . . ?
Cu1 N2 C16 C17 -2.2(9) . . . . ?
Cu1 N2 C15 C13 -43.0(8) . . . . ?
Cu1 N2 C15 C25 -6.7(14) . . . . ?
Cu1 N2 C15 C26 -98.7(17) . . . . ?
Cu1 N2 C15 C11 -166.7(11) . . . . ?
Cu1 N2 C15 C10 -165.2(19) . . . . ?
Cu1 N2 C26 C13 14.2(18) . . . . ?
Cu1 N2 C26 C15 92.3(17) . . . . ?
Cu1 N2 C26 C25 46.0(14) . . . . ?
Cu1 N2 C26 C11 156.6(11) . . . . ?
Cu1 N2 C26 C10 160(2) . . . . ?
Cu1 N1 C9 C8 7.3(11) . . . . ?
Cu1 N1 C13 C11B -142.4(11) . . . . ?
Cu1 N1 C13 C15 -39.2(8) . . . . ?
Cu1 N1 C13 C25 -85.9(14) . . . . ?
Cu1 N1 C13 C26 -8.4(14) . . . . ?
Cu1 N1 C13 C11A -161.4(7) . . . . ?
Cu1 N1 C25 C11B 170.8(18) . . . . ?
Cu1 N1 C25 C13 105.3(13) . . . . ?
Cu1 N1 C25 C15 25.5(18) . . . . ?
Cu1 N1 C25 C26 53.6(13) . . . . ?
Cu1 N1 C25 C11A 160.5(8) . . . . ?
O4 C22 C21 C19 -178.9(5) . . . . ?
O1 C2 C1 O2 -4.6(7) . . . . ?
O1 C2 C1 C8 175.8(5) . . . . ?
O3 C24 C22 O4 2.3(7) . . . . ?
O3 C24 C22 C21 -176.9(5) . . . . ?
O6 N3 O5 Gd1 1.7(5) . . . . ?
O7 N3 O5 Gd1 -179.5(5) . . . . ?
N2 C15 C25 N1 -13(2) . . . . ?
N2 C15 C25 C11B -159.1(16) . . . . ?
N2 C15 C25 C13 -80.8(15) . . . . ?
N2 C15 C25 C26 -78.4(12) . . . . ?
N2 C15 C25 C11A -141.8(10) . . . . ?
N2 C15 C26 C13 116.2(8) . . . . ?
N2 C15 C26 C25 114.7(9) . . . . ?
N2 C15 C26 C11 -119.3(8) . . . . ?
N2 C15 C26 C10 -117.4(12) . . . . ?
N2 C15 C11 C13B 178.9(11) . . . . ?
N2 C15 C11 C26 68.0(12) . . . . ?
N2 C15 C11 C13A 152.7(17) . . . . ?
N2 C15 C10 C13B -179.7(17) . . . . ?
N2 C15 C10 C26 67.9(12) . . . . ?
N2 C15 C10 C13A 156(3) . . . . ?
N2 C26 C11 C15 -63.9(12) . . . . ?
N2 C26 C11 C13B -145.2(15) . . . . ?
N2 C26 C11 C13A -172.8(15) . . . . ?
N2 C26 C10 C15 -65.8(15) . . . . ?
N2 C26 C10 C13B -143(2) . . . . ?
N2 C26 C10 C13A -169(2) . . . . ?
N1 C13 C15 N2 52.2(9) . . . . ?
N1 C13 C15 C25 -60.3(11) . . . . ?
N1 C13 C15 C26 117.1(15) . . . . ?
N1 C13 C15 C11 177.0(10) . . . . ?
N1 C13 C15 C10 173.8(19) . . . . ?
N1 C13 C25 C11B -125.3(11) . . . . ?
N1 C13 C25 C15 119.5(10) . . . . ?
N1 C13 C25 C26 118.2(8) . . . . ?
N1 C13 C25 C11A -118.9(7) . . . . ?
N1 C13 C26 N2 -4(2) . . . . ?
N1 C13 C26 C15 -73.7(17) . . . . ?
N1 C13 C26 C25 -71.6(10) . . . . ?
N1 C13 C26 C11 -142.2(14) . . . . ?
N1 C13 C26 C10 -145(3) . . . . ?
N1 C13 C11A C12 170.9(9) . . . . ?
N1 C13 C11A C25 70.6(10) . . . . ?
N1 C13 C11A C27A 132.6(10) . . . . ?
N1 C25 C26 N2 -62.8(16) . . . . ?
N1 C25 C26 C13 58.5(9) . . . . ?
N1 C25 C26 C15 -124.2(19) . . . . ?
N1 C25 C26 C11 -178.1(13) . . . . ?
N1 C25 C26 C10 -178.6(17) . . . . ?
N1 C25 C11A C13 -59.1(9) . . . . ?
N1 C25 C11A C12 -151.9(10) . . . . ?
N1 C25 C11A C27A 177.2(11) . . . . ?
C4 C5 C7 C8 -2.1(9) . . . . ?
C4 C2 C1 O2 177.2(5) . . . . ?
C4 C2 C1 C8 -2.3(8) . . . . ?
C17 C24 C22 O4 -178.7(4) . . . . ?
C17 C24 C22 C21 2.1(8) . . . . ?
C17 C18 C19 C21 1.1(9) . . . . ?
C17 C18 C19 C20 -179.2(6) . . . . ?
C24 C17 C16 N2 -8.4(9) . . . . ?
C24 C17 C18 C19 1.2(8) . . . . ?
C24 C22 C21 C19 0.3(9) . . . . ?
C5 C4 C2 O1 -177.0(5) . . . . ?
C5 C4 C2 C1 0.9(9) . . . . ?
C2 C4 C5 C6 -178.3(5) . . . . ?
C2 C4 C5 C7 1.3(9) . . . . ?
C6 C5 C7 C8 177.5(6) . . . . ?
C22 C21 C19 C18 -1.8(9) . . . . ?
C22 C21 C19 C20 178.4(6) . . . . ?
C1 C8 C7 C5 0.6(9) . . . . ?
C1 C8 C9 N1 -1.2(11) . . . . ?
C16 N2 C15 C13 144.8(7) . . . . ?
C16 N2 C15 C25 -178.8(12) . . . . ?
C16 N2 C15 C26 89.1(17) . . . . ?
C16 N2 C15 C11 21.1(15) . . . . ?
C16 N2 C15 C10 23(2) . . . . ?
C16 N2 C26 C13 170.8(11) . . . . ?
C16 N2 C26 C15 -111.1(14) . . . . ?
C16 N2 C26 C25 -157.4(9) . . . . ?
C16 N2 C26 C11 -46.8(17) . . . . ?
C16 N2 C26 C10 -43(3) . . . . ?
C16 C17 C24 O3 -7.0(8) . . . . ?
C16 C17 C24 C22 174.1(5) . . . . ?
C16 C17 C18 C19 -175.8(6) . . . . ?
C18 C17 C24 O3 176.2(5) . . . . ?
C18 C17 C24 C22 -2.7(7) . . . . ?
C18 C17 C16 N2 168.4(6) . . . . ?
C7 C8 C1 O2 -178.0(5) . . . . ?
C7 C8 C1 C2 1.6(8) . . . . ?
C7 C8 C9 N1 178.1(7) . . . . ?
C9 N1 C13 C11B 52.4(13) . . . . ?
C9 N1 C13 C15 155.6(7) . . . . ?
C9 N1 C13 C25 108.9(14) . . . . ?
C9 N1 C13 C26 -173.6(12) . . . . ?
C9 N1 C13 C11A 33.4(12) . . . . ?
C9 N1 C25 C11B -29(2) . . . . ?
C9 N1 C25 C13 -94.6(13) . . . . ?
C9 N1 C25 C15 -174.4(12) . . . . ?
C9 N1 C25 C26 -146.3(10) . . . . ?
C9 N1 C25 C11A -39.4(15) . . . . ?
C9 C8 C1 O2 1.3(9) . . . . ?
C9 C8 C1 C2 -179.2(6) . . . . ?
C9 C8 C7 C5 -178.7(6) . . . . ?
C23 O4 C22 C24 170.4(5) . . . . ?
C23 O4 C22 C21 -10.5(8) . . . . ?
C11B C13 C15 N2 169.8(12) . . . . ?
C11B C13 C15 C25 57.3(16) . . . . ?
C11B C13 C15 C26 -125.3(17) . . . . ?
C11B C13 C15 C11 -65.4(15) . . . . ?
C11B C13 C15 C10 -69(2) . . . . ?
C11B C13 C25 N1 125.3(11) . . . . ?
C11B C13 C25 C15 -115.2(13) . . . . ?
C11B C13 C25 C26 -116.6(12) . . . . ?
C11B C13 C25 C11A 6.4(13) . . . . ?
C11B C13 C26 N2 131.4(17) . . . . ?
C11B C13 C26 C15 61.5(17) . . . . ?
C11B C13 C26 C25 63.6(15) . . . . ?
C11B C13 C26 C11 -7(2) . . . . ?
C11B C13 C26 C10 -10(3) . . . . ?
C11B C13 C11A C12 80(4) . . . . ?
C11B C13 C11A C25 -21(4) . . . . ?
C11B C13 C11A C27A 41(4) . . . . ?
C11B C12 C13B C13A 131(3) . . . . ?
C11B C12 C13B C27A -54.0(18) . . . . ?
C11B C12 C13B C11 64.9(17) . . . . ?
C11B C12 C13B C10 68(2) . . . . ?
C11B C12 C13A C13B -55(3) . . . . ?
C11B C12 C13A C27A -59.5(17) . . . . ?
C11B C12 C13A C11 18(3) . . . . ?
C11B C12 C13A C10 21(4) . . . . ?
C11B C12 C27A C13B 121.9(18) . . . . ?
C11B C12 C27A C13A 124.2(17) . . . . ?
C11B C12 C27A C11A -2.9(14) . . . . ?
C11B C12 C11A C13 -87(4) . . . . ?
C11B C12 C11A C25 -53(4) . . . . ?
C11B C12 C11A C27A 9(4) . . . . ?
C11B C25 C26 N2 172.1(14) . . . . ?
C11B C25 C26 C13 -66.6(17) . . . . ?
C11B C25 C26 C15 110.7(16) . . . . ?
C11B C25 C26 C11 56.8(19) . . . . ?
C11B C25 C26 C10 56(2) . . . . ?
C11B C25 C11A C13 156(5) . . . . ?
C11B C25 C11A C12 63(5) . . . . ?
C11B C25 C11A C27A 33(5) . . . . ?
C11B C27A C11A C13 -69(6) . . . . ?
C11B C27A C11A C12 -168(6) . . . . ?
C11B C27A C11A C25 -42(6) . . . . ?
C3 O1 C2 C4 -3.0(8) . . . . ?
C3 O1 C2 C1 178.9(5) . . . . ?
C13 N1 C9 C8 170.3(7) . . . . ?
C13 N1 C25 C11B 66(2) . . . . ?
C13 N1 C25 C15 -79.8(15) . . . . ?
C13 N1 C25 C26 -51.7(11) . . . . ?
C13 N1 C25 C11A 55.2(13) . . . . ?
C13 C11B C12 C13B -79.7(15) . . . . ?
C13 C11B C12 C13A -58(2) . . . . ?
C13 C11B C12 C27A -120.7(19) . . . . ?
C13 C11B C12 C11A 69(4) . . . . ?
C13 C11B C25 N1 -61.0(15) . . . . ?
C13 C11B C25 C15 85.4(16) . . . . ?
C13 C11B C25 C26 54.1(13) . . . . ?
C13 C11B C25 C11A -22(5) . . . . ?
C13 C11B C27A C12 78(3) . . . . ?
C13 C11B C27A C13B 4(4) . . . . ?
C13 C11B C27A C13A 27(3) . . . . ?
C13 C11B C27A C11A 89(7) . . . . ?
C13 C15 C25 N1 68.2(12) . . . . ?
C13 C15 C25 C11B -78(2) . . . . ?
C13 C15 C25 C26 2.3(17) . . . . ?
C13 C15 C25 C11A -61.0(16) . . . . ?
C13 C15 C26 N2 -116.2(8) . . . . ?
C13 C15 C26 C25 -1.5(11) . . . . ?
C13 C15 C26 C11 124.4(8) . . . . ?
C13 C15 C26 C10 126.4(14) . . . . ?
C13 C15 C11 C13B 58.8(17) . . . . ?
C13 C15 C11 C26 -52.2(11) . . . . ?
C13 C15 C11 C13A 33(2) . . . . ?
C13 C15 C10 C13B 62(3) . . . . ?
C13 C15 C10 C26 -50.4(14) . . . . ?
C13 C15 C10 C13A 38(4) . . . . ?
C13 C25 C26 N2 -121.3(16) . . . . ?
C13 C25 C26 C15 177(2) . . . . ?
C13 C25 C26 C11 123.4(13) . . . . ?
C13 C25 C26 C10 122.9(19) . . . . ?
C13 C25 C11A C12 -92.8(12) . . . . ?
C13 C25 C11A C27A -123.7(12) . . . . ?
C13 C26 C11 C15 75.2(16) . . . . ?
C13 C26 C11 C13B -6(3) . . . . ?
C13 C26 C11 C13A -34(2) . . . . ?
C13 C26 C10 C15 76(2) . . . . ?
C13 C26 C10 C13B -1(5) . . . . ?
C13 C26 C10 C13A -28(5) . . . . ?
C12 C11B C13 N1 -172.2(11) . . . . ?
C12 C11B C13 C15 79.5(14) . . . . ?
C12 C11B C13 C25 127.0(17) . . . . ?
C12 C11B C13 C26 52.3(18) . . . . ?
C12 C11B C13 C11A -75(4) . . . . ?
C12 C11B C25 N1 -128.1(18) . . . . ?
C12 C11B C25 C13 -67(2) . . . . ?
C12 C11B C25 C15 18(3) . . . . ?
C12 C11B C25 C26 -13(3) . . . . ?
C12 C11B C25 C11A -89(6) . . . . ?
C12 C11B C27A C13B -74.3(19) . . . . ?
C12 C11B C27A C13A -50.8(16) . . . . ?
C12 C11B C27A C11A 11(6) . . . . ?
C12 C13B C13A C27A 4(3) . . . . ?
C12 C13B C13A C11 -118.8(13) . . . . ?
C12 C13B C13A C10 -120.3(17) . . . . ?
C12 C13B C27A C11B 64(2) . . . . ?
C12 C13B C27A C13A -5(4) . . . . ?
C12 C13B C27A C11A 49.6(13) . . . . ?
C12 C13B C11 C15 -55.5(18) . . . . ?
C12 C13B C11 C26 -24(2) . . . . ?
C12 C13B C11 C13A 60(3) . . . . ?
C12 C13B C10 C15 -59(3) . . . . ?
C12 C13B C10 C26 -29(4) . . . . ?
C12 C13B C10 C13A 59(3) . . . . ?
C12 C13A C27A C11B 53.9(16) . . . . ?
C12 C13A C27A C13B 174(4) . . . . ?
C12 C13A C27A C11A 42.5(12) . . . . ?
C12 C13A C11 C15 -4(3) . . . . ?
C12 C13A C11 C13B -79(2) . . . . ?
C12 C13A C11 C26 28(3) . . . . ?
C12 C13A C10 C15 -9(5) . . . . ?
C12 C13A C10 C13B -80(2) . . . . ?
C12 C13A C10 C26 22(5) . . . . ?
C12 C27A C11A C13 98.3(15) . . . . ?
C12 C27A C11A C25 125.9(15) . . . . ?
C15 N2 C16 C17 168.7(7) . . . . ?
C15 N2 C26 C13 -78.1(14) . . . . ?
C15 N2 C26 C25 -46.3(10) . . . . ?
C15 N2 C26 C11 64.3(19) . . . . ?
C15 N2 C26 C10 68(3) . . . . ?
C15 C13 C25 N1 -119.5(10) . . . . ?
C15 C13 C25 C11B 115.2(13) . . . . ?
C15 C13 C25 C26 -1.4(10) . . . . ?
C15 C13 C25 C11A 121.6(9) . . . . ?
C15 C13 C26 N2 69.9(11) . . . . ?
C15 C13 C26 C25 2.1(16) . . . . ?
C15 C13 C26 C11 -68(2) . . . . ?
C15 C13 C26 C10 -71(3) . . . . ?
C15 C13 C11A C12 52.4(12) . . . . ?
C15 C13 C11A C25 -47.8(10) . . . . ?
C15 C13 C11A C27A 14.2(13) . . . . ?
C15 C25 C26 N2 61.4(10) . . . . ?
C15 C25 C26 C13 -177(2) . . . . ?
C15 C25 C26 C11 -53.9(19) . . . . ?
C15 C25 C26 C10 -54(2) . . . . ?
C15 C25 C11A C13 75.6(14) . . . . ?
C15 C25 C11A C12 -17.2(18) . . . . ?
C15 C25 C11A C27A -48.2(15) . . . . ?
C15 C26 C11 C13B -81.3(18) . . . . ?
C15 C26 C11 C13A -108.9(18) . . . . ?
C15 C26 C10 C13B -77(3) . . . . ?
C15 C26 C10 C13A -104(3) . . . . ?
C13B C12 C13A C27A -4(3) . . . . ?
C13B C12 C13A C11 73(3) . . . . ?
C13B C12 C13A C10 76(4) . . . . ?
C13B C12 C27A C11B -121.9(18) . . . . ?
C13B C12 C27A C13A 2.3(16) . . . . ?
C13B C12 C27A C11A -124.8(13) . . . . ?
C13B C12 C11A C13 -52.0(14) . . . . ?
C13B C12 C11A C25 -17.8(16) . . . . ?
C13B C12 C11A C27A 43.5(13) . . . . ?
C13B C13A C27A C11B -120(4) . . . . ?
C13B C13A C27A C12 -174(4) . . . . ?
C13B C13A C27A C11A -132(3) . . . . ?
C13B C13A C11 C15 75(3) . . . . ?
C13B C13A C11 C26 107(3) . . . . ?
C13B C13A C10 C15 71(4) . . . . ?
C13B C13A C10 C26 102(4) . . . . ?
C13B C27A C11A C13 32(2) . . . . ?
C13B C27A C11A C12 -66.4(17) . . . . ?
C13B C27A C11A C25 60(2) . . . . ?
C25 N1 C9 C8 -149.0(11) . . . . ?
C25 N1 C13 C11B -56.5(14) . . . . ?
C25 N1 C13 C15 46.7(12) . . . . ?
C25 N1 C13 C26 77.6(14) . . . . ?
C25 N1 C13 C11A -75.5(16) . . . . ?
C25 C11B C13 N1 60.8(11) . . . . ?
C25 C11B C13 C15 -47.6(11) . . . . ?
C25 C11B C13 C26 -74.8(13) . . . . ?
C25 C11B C13 C11A 158(5) . . . . ?
C25 C11B C12 C13B -48(2) . . . . ?
C25 C11B C12 C13A -27(3) . . . . ?
C25 C11B C12 C27A -89(2) . . . . ?
C25 C11B C12 C11A 100(5) . . . . ?
C25 C11B C27A C12 115(3) . . . . ?
C25 C11B C27A C13B 40(4) . . . . ?
C25 C11B C27A C13A 64(3) . . . . ?
C25 C11B C27A C11A 126(8) . . . . ?
C25 C13 C15 N2 112.5(14) . . . . ?
C25 C13 C15 C26 177.4(19) . . . . ?
C25 C13 C15 C11 -122.6(15) . . . . ?
C25 C13 C15 C10 -126(2) . . . . ?
C25 C13 C26 N2 67.7(18) . . . . ?
C25 C13 C26 C15 -2.1(16) . . . . ?
C25 C13 C26 C11 -70.6(19) . . . . ?
C25 C13 C26 C10 -73(3) . . . . ?
C25 C13 C11A C12 100.2(13) . . . . ?
C25 C13 C11A C27A 62.0(13) . . . . ?
C25 C15 C26 N2 -114.7(9) . . . . ?
C25 C15 C26 C13 1.5(11) . . . . ?
C25 C15 C26 C11 125.9(11) . . . . ?
C25 C15 C26 C10 127.9(13) . . . . ?
C25 C15 C11 C13B 21(2) . . . . ?
C25 C15 C11 C26 -89.5(15) . . . . ?
C25 C15 C11 C13A -5(3) . . . . ?
C25 C15 C10 C13B 25(4) . . . . ?
C25 C15 C10 C26 -87(2) . . . . ?
C25 C15 C10 C13A 1(5) . . . . ?
C25 C26 C11 C15 41.6(12) . . . . ?
C25 C26 C11 C13B -40(2) . . . . ?
C25 C26 C11 C13A -67(2) . . . . ?
C25 C26 C10 C15 41.2(13) . . . . ?
C25 C26 C10 C13B -36(4) . . . . ?
C25 C26 C10 C13A -62(4) . . . . ?
C26 N2 C16 C17 -155.3(11) . . . . ?
C26 N2 C15 C13 55.7(14) . . . . ?
C26 N2 C15 C25 92.1(17) . . . . ?
C26 N2 C15 C11 -68(2) . . . . ?
C26 N2 C15 C10 -66(2) . . . . ?
C26 C13 C15 N2 -64.9(11) . . . . ?
C26 C13 C15 C25 -177.4(19) . . . . ?
C26 C13 C15 C11 60.0(17) . . . . ?
C26 C13 C15 C10 57(2) . . . . ?
C26 C13 C25 N1 -118.2(8) . . . . ?
C26 C13 C25 C11B 116.6(12) . . . . ?
C26 C13 C25 C15 1.4(10) . . . . ?
C26 C13 C25 C11A 123.0(8) . . . . ?
C26 C13 C11A C12 19.6(17) . . . . ?
C26 C13 C11A C25 -80.6(13) . . . . ?
C26 C13 C11A C27A -18.6(17) . . . . ?
C26 C15 C25 N1 66(2) . . . . ?
C26 C15 C25 C11B -81(2) . . . . ?
C26 C15 C25 C13 -2.3(17) . . . . ?
C26 C15 C25 C11A -63.4(16) . . . . ?
C26 C15 C11 C13B 111.0(18) . . . . ?
C26 C15 C11 C13A 85(2) . . . . ?
C26 C15 C10 C13B 112(2) . . . . ?
C26 C15 C10 C13A 88(3) . . . . ?
C26 C25 C11A C13 48.1(12) . . . . ?
C26 C25 C11A C12 -44.7(15) . . . . ?
C26 C25 C11A C27A -75.6(13) . . . . ?
C13A C12 C13B C27A 175(4) . . . . ?
C13A C12 C13B C11 -66(3) . . . . ?
C13A C12 C13B C10 -63(3) . . . . ?
C13A C12 C27A C11B -124.2(17) . . . . ?
C13A C12 C27A C13B -2.3(16) . . . . ?
C13A C12 C27A C11A -127.1(14) . . . . ?
C13A C12 C11A C13 -25(2) . . . . ?
C13A C12 C11A C25 10(2) . . . . ?
C13A C12 C11A C27A 70.9(17) . . . . ?
C13A C13B C27A C11B 69(4) . . . . ?
C13A C13B C27A C12 5(4) . . . . ?
C13A C13B C27A C11A 55(4) . . . . ?
C13A C13B C11 C15 -116(3) . . . . ?
C13A C13B C11 C26 -84(3) . . . . ?
C13A C13B C10 C15 -117(4) . . . . ?
C13A C13B C10 C26 -88(4) . . . . ?
C13A C27A C11A C13 51.7(19) . . . . ?
C13A C27A C11A C12 -46.6(14) . . . . ?
C13A C27A C11A C25 79.4(17) . . . . ?
C27A C11B C13 N1 145(2) . . . . ?
C27A C11B C13 C15 37(2) . . . . ?
C27A C11B C13 C25 85(2) . . . . ?
C27A C11B C13 C26 10(3) . . . . ?
C27A C11B C13 C11A -118(6) . . . . ?
C27A C11B C12 C13B 41.0(14) . . . . ?
C27A C11B C12 C13A 62.5(17) . . . . ?
C27A C11B C12 C11A -171(5) . . . . ?
C27A C11B C25 N1 -174.4(18) . . . . ?
C27A C11B C25 C13 -113(2) . . . . ?
C27A C11B C25 C15 -28(3) . . . . ?
C27A C11B C25 C26 -59(3) . . . . ?
C27A C11B C25 C11A -135(7) . . . . ?
C27A C12 C13B C13A -175(4) . . . . ?
C27A C12 C13B C11 119(2) . . . . ?
C27A C12 C13B C10 122(3) . . . . ?
C27A C12 C13A C13B 4(3) . . . . ?
C27A C12 C13A C11 77(2) . . . . ?
C27A C12 C13A C10 80(3) . . . . ?
C27A C12 C11A C13 -95.5(16) . . . . ?
C27A C12 C11A C25 -61.3(17) . . . . ?
C27A C13B C13A C12 -4(3) . . . . ?
C27A C13B C13A C11 -123(2) . . . . ?
C27A C13B C13A C10 -124.0(19) . . . . ?
C27A C13B C11 C15 -9(3) . . . . ?
C27A C13B C11 C26 22(3) . . . . ?
C27A C13B C11 C13A 107(3) . . . . ?
C27A C13B C10 C15 -12(4) . . . . ?
C27A C13B C10 C26 17(5) . . . . ?
C27A C13B C10 C13A 105(3) . . . . ?
C27A C13A C11 C15 37(3) . . . . ?
C27A C13A C11 C13B -37.7(17) . . . . ?
C27A C13A C11 C26 69(2) . . . . ?
C27A C13A C10 C15 33(4) . . . . ?
C27A C13A C10 C13B -37.6(18) . . . . ?
C27A C13A C10 C26 64(4) . . . . ?
C11A C13 C15 N2 177.6(7) . . . . ?
C11A C13 C15 C25 65.1(15) . . . . ?
C11A C13 C15 C26 -117.5(14) . . . . ?
C11A C13 C15 C11 -57.6(12) . . . . ?
C11A C13 C15 C10 -61(2) . . . . ?
C11A C13 C25 N1 118.9(7) . . . . ?
C11A C13 C25 C11B -6.4(13) . . . . ?
C11A C13 C25 C15 -121.6(9) . . . . ?
C11A C13 C25 C26 -123.0(8) . . . . ?
C11A C13 C26 N2 147.4(12) . . . . ?
C11A C13 C26 C15 77.5(14) . . . . ?
C11A C13 C26 C25 79.7(16) . . . . ?
C11A C13 C26 C11 9(2) . . . . ?
C11A C13 C26 C10 6(3) . . . . ?
C11A C12 C13B C13A 121(3) . . . . ?
C11A C12 C13B C27A -64.4(17) . . . . ?
C11A C12 C13B C11 54.6(16) . . . . ?
C11A C12 C13B C10 58(2) . . . . ?
C11A C12 C13A C13B -73(3) . . . . ?
C11A C12 C13A C27A -77.2(18) . . . . ?
C11A C12 C13A C11 0(3) . . . . ?
C11A C12 C13A C10 3(4) . . . . ?
C11A C12 C27A C11B 2.9(14) . . . . ?
C11A C12 C27A C13B 124.8(13) . . . . ?
C11A C12 C27A C13A 127.1(14) . . . . ?
C11A C25 C26 N2 -172.1(10) . . . . ?
C11A C25 C26 C13 -50.8(13) . . . . ?
C11A C25 C26 C15 126.5(13) . . . . ?
C11A C25 C26 C11 72.6(15) . . . . ?
C11A C25 C26 C10 72.1(19) . . . . ?
C11 C15 C25 N1 144.6(16) . . . . ?
C11 C15 C25 C11B -2(3) . . . . ?
C11 C15 C25 C13 76.4(17) . . . . ?
C11 C15 C25 C26 79(2) . . . . ?
C11 C15 C25 C11A 15(2) . . . . ?
C11 C15 C26 N2 119.3(8) . . . . ?
C11 C15 C26 C13 -124.4(8) . . . . ?
C11 C15 C26 C25 -125.9(11) . . . . ?
C11 C15 C26 C10 1.9(15) . . . . ?
C11 C15 C10 C13B -28(37) . . . . ?
C11 C15 C10 C26 -141(39) . . . . ?
C11 C15 C10 C13A -53(37) . . . . ?
C11 C13B C13A C12 118.8(13) . . . . ?
C11 C13B C13A C27A 123(2) . . . . ?
C11 C13B C13A C10 -1.4(13) . . . . ?
C11 C13B C27A C11B -20(3) . . . . ?
C11 C13B C27A C12 -84(2) . . . . ?
C11 C13B C27A C13A -89(4) . . . . ?
C11 C13B C27A C11A -34(3) . . . . ?
C11 C13B C10 C15 32(37) . . . . ?
C11 C13B C10 C26 61(37) . . . . ?
C11 C13B C10 C13A 149(39) . . . . ?
C11 C26 C10 C15 33(32) . . . . ?
C11 C26 C10 C13B -44(30) . . . . ?
C11 C26 C10 C13A -70(31) . . . . ?
C11 C13A C27A C11B -63(3) . . . . ?
C11 C13A C27A C12 -117(2) . . . . ?
C11 C13A C27A C13B 57(3) . . . . ?
C11 C13A C27A C11A -75(2) . . . . ?
C11 C13A C10 C15 46(26) . . . . ?
C11 C13A C10 C13B -25(28) . . . . ?
C11 C13A C10 C26 77(27) . . . . ?
C10 C15 C25 N1 142(3) . . . . ?
C10 C15 C25 C11B -5(3) . . . . ?
C10 C15 C25 C13 73(3) . . . . ?
C10 C15 C25 C26 76(3) . . . . ?
C10 C15 C25 C11A 12(3) . . . . ?
C10 C15 C26 N2 117.4(12) . . . . ?
C10 C15 C26 C13 -126.4(14) . . . . ?
C10 C15 C26 C25 -127.9(13) . . . . ?
C10 C15 C26 C11 -1.9(15) . . . . ?
C10 C15 C11 C13B 150(41) . . . . ?
C10 C15 C11 C26 39(39) . . . . ?
C10 C15 C11 C13A 123(41) . . . . ?
C10 C13B C13A C12 120.3(17) . . . . ?
C10 C13B C13A C27A 124.0(19) . . . . ?
C10 C13B C13A C11 1.4(13) . . . . ?
C10 C13B C27A C11B -18(4) . . . . ?
C10 C13B C27A C12 -81(3) . . . . ?
C10 C13B C27A C13A -87(4) . . . . ?
C10 C13B C27A C11A -32(4) . . . . ?
C10 C13B C11 C15 -146(40) . . . . ?
C10 C13B C11 C26 -115(40) . . . . ?
C10 C13B C11 C13A -31(39) . . . . ?
C10 C26 C11 C15 -146(33) . . . . ?
C10 C26 C11 C13B 133(34) . . . . ?
C10 C26 C11 C13A 105(34) . . . . ?
C10 C13A C27A C11B -63(3) . . . . ?
C10 C13A C27A C12 -117(3) . . . . ?
C10 C13A C27A C13B 58(3) . . . . ?
C10 C13A C27A C11A -74(2) . . . . ?
C10 C13A C11 C15 -130(30) . . . . ?
C10 C13A C11 C13B 155(29) . . . . ?
C10 C13A C11 C26 -98(29) . . . . ?

_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_complex-3_apjg201
_database_code_depnum_ccdc_archive 'CCDC 2388324'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2024-12-15 deposited with the CCDC.	2024-12-24 downloaded from the CCDC.
;
_audit_creation_date             2024-12-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H30 Cu Dy N5 O14'
_chemical_formula_sum            'C24 H30 Cu Dy N5 O14'
_chemical_formula_weight         838.57
_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'
Cu Cu 0.3201 1.2651 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.0363(9)
_cell_length_b                   17.7751(13)
_cell_length_c                   15.5230(11)
_cell_angle_alpha                90
_cell_angle_beta                 93.085(3)
_cell_angle_gamma                90
_cell_volume                     3040.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    562
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.94
_shelx_estimated_absorpt_T_max   0.939
_shelx_estimated_absorpt_T_min   0.446
_exptl_absorpt_coefficient_mu    3.213
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brownish-green
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            65704
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.138
_diffrn_reflns_theta_min         2.174
_diffrn_ambient_temperature      149.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5440
_reflns_number_total             6719
_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       Apex-II
_computing_data_collection       Apex-II
_computing_data_reduction        Apex-II
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.458
_refine_diff_density_min         -1.211
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         6719
_refine_ls_number_restraints     257
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0315
_refine_ls_restrained_S_all      1.051
_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)+(0.0363P)²+7.5685P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0835
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C6-C13
 1.5 with sigma of 0.02
 C13-C12B
 1.5 with sigma of 0.02
 C15A-C6 = C6-C13A
 1.55 with sigma of 0.01
 C15-C14 = C14-C13
 1.55 with sigma of 0.01
 C10A-C11B = C11B-C12A
 1.55 with sigma of 0.01
 C15A-C10A
 1.55 with sigma of 0.01
 C15-C11
 1.55 with sigma of 0.01
 C12B-C13
 1.55 with sigma of 0.01
 C12A-C13A
 1.55 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C11 \\sim C10A \\sim C15A \\sim C15 \\sim C6 \\sim C14 \\sim C13A \\sim C13
\\sim C12B \\sim C12A \\sim C11B \\sim C11A: within 1.7A with sigma of 0.02 and
sigma for terminal atoms of 0.02 within 1.7A
4. Rigid body (RIGU) restrains
 C15A, C15, C10A, C11, C6, C13, C12B, C13A, C11B
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C11, C15, C15A, C6, C14, C13A, C13, C12B, C12A, C11B, C11A, C10A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Others
 Fixed Sof: C10A(0.7) H10A(0.7) C6(0.7) H6A(0.7) H6B(0.7) C15A(0.7) H15A(0.7)
 C13A(0.7) H13A(0.7) H13B(0.7) C15(0.3) H15(0.3) C11B(0.7) H11A(0.7) H11B(0.7)
 C11(0.3) H11(0.3) C12B(0.3) H12A(0.3) H12B(0.3) C13(0.3) H13C(0.3) H13D(0.3)
 C14(0.3) H14C(0.3) H14D(0.3) C12A(0.7) H12C(0.7) H12D(0.7) C11A(0.3) H11C(0.3)
 H11D(0.3)
6.a Rotating group:
 O14(H14A,H14B)
6.b Ternary CH refined with riding coordinates:
 C10A(H10A), C15A(H15A), C15(H15), C11(H11)
6.c Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C13A(H13A,H13B), C11B(H11A,H11B), C12B(H12A,H12B), C13(H13C,
 H13D), C14(H14C,H14D), C12A(H12C,H12D), C11A(H11C,H11D)
6.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9), C16(H16), C20(H20), C22(H22)
6.e Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_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 0.45469(2) 0.76563(2) 0.49803(2) 0.02823(7) Uani 1 1 d . . . . .
Cu1 Cu 0.39262(5) 0.62498(3) 0.63604(3) 0.03198(13) Uani 1 1 d . . . . .
O2 O 0.4048(3) 0.63877(15) 0.51365(17) 0.0306(6) Uani 1 1 d . . . . .
O1 O 0.3343(3) 0.69129(16) 0.36597(17) 0.0349(7) Uani 1 1 d . . . . .
O3 O 0.4243(3) 0.73000(15) 0.63801(17) 0.0354(7) Uani 1 1 d . . . . .
O4 O 0.4349(3) 0.87054(15) 0.60869(17) 0.0348(7) Uani 1 1 d . . . . .
O6 O 0.6464(3) 0.7875(2) 0.5877(2) 0.0580(10) Uani 1 1 d . . . . .
O5 O 0.6516(3) 0.70663(19) 0.4865(2) 0.0478(8) Uani 1 1 d . . . . .
O7 O 0.8153(3) 0.7310(2) 0.5658(3) 0.0601(10) Uani 1 1 d . . . . .
O9 O 0.5720(4) 0.87112(19) 0.4399(2) 0.0535(10) Uani 1 1 d . . . . .
O8 O 0.5246(3) 0.78535(18) 0.34704(19) 0.0415(8) Uani 1 1 d . . . . .
O10 O 0.6183(4) 0.8845(2) 0.3060(2) 0.0594(10) Uani 1 1 d . . . . .
O11 O 0.2338(3) 0.77177(19) 0.5127(2) 0.0457(8) Uani 1 1 d . . . . .
O12 O 0.3158(4) 0.85409(19) 0.4323(2) 0.0499(9) Uani 1 1 d . . . . .
O13 O 0.1204(4) 0.8486(3) 0.4347(3) 0.0946(17) Uani 1 1 d . . . . .
N1 N 0.3832(4) 0.5173(2) 0.6298(3) 0.0447(10) Uani 1 1 d . . . . .
N2 N 0.4064(4) 0.6128(2) 0.7586(2) 0.0505(11) Uani 1 1 d . . . . .
N3 N 0.7074(4) 0.7421(2) 0.5475(2) 0.0416(9) Uani 1 1 d . . . . .
N4 N 0.5715(4) 0.8474(2) 0.3616(2) 0.0411(9) Uani 1 1 d . . . . .
N5 N 0.2195(4) 0.8261(3) 0.4595(3) 0.0522(12) Uani 1 1 d . . . . .
C1 C 0.3513(4) 0.5889(2) 0.4587(3) 0.0303(9) Uani 1 1 d . . . . .
C2 C 0.3132(4) 0.6156(2) 0.3769(3) 0.0333(9) Uani 1 1 d . . . . .
C3 C 0.2622(4) 0.5683(3) 0.3139(3) 0.0409(11) Uani 1 1 d . . . . .
H3 H 0.237398 0.587932 0.258823 0.049 Uiso 1 1 calc R U . . .
C4 C 0.2471(4) 0.4916(3) 0.3313(3) 0.0463(12) Uani 1 1 d . . . . .
C5 C 0.2810(4) 0.4656(3) 0.4115(3) 0.0422(11) Uani 1 1 d . . . . .
H5 H 0.270409 0.413682 0.423508 0.051 Uiso 1 1 calc R U . . .
C10 C 0.3314(4) 0.5126(2) 0.4780(3) 0.0361(10) Uani 1 1 d . . . . .
C7 C 0.2821(5) 0.7240(3) 0.2873(3) 0.0443(12) Uani 1 1 d . . . . .
H7A H 0.294164 0.778579 0.288602 0.067 Uiso 1 1 calc R U . . .
H7B H 0.195090 0.712799 0.282032 0.067 Uiso 1 1 calc R U . . .
H7C H 0.321747 0.702667 0.237802 0.067 Uiso 1 1 calc R U . . .
C8 C 0.1950(6) 0.4393(3) 0.2625(4) 0.0677(17) Uani 1 1 d . . . . .
H8A H 0.131174 0.465356 0.227746 0.102 Uiso 1 1 calc R U . . .
H8B H 0.160514 0.394938 0.289636 0.102 Uiso 1 1 calc R U . . .
H8C H 0.259308 0.423480 0.225290 0.102 Uiso 1 1 calc R U . . .
C9 C 0.3562(5) 0.4796(2) 0.5616(3) 0.0438(11) Uani 1 1 d . . . . .
H9 H 0.352232 0.426351 0.566317 0.053 Uiso 1 1 calc R U . . .
C10A C 0.4279(9) 0.4847(4) 0.7132(5) 0.0504(16) Uani 0.7 1 d D U P A 1
H10A H 0.518356 0.489154 0.717490 0.060 Uiso 0.7 1 calc R U P A 1
C6 C 0.4241(16) 0.5106(5) 0.8729(6) 0.067(3) Uani 0.7 1 d D U P A 1
H6A H 0.383521 0.539824 0.917363 0.081 Uiso 0.7 1 calc R U P A 1
H6B H 0.512451 0.520070 0.879869 0.081 Uiso 0.7 1 calc R U P A 1
C15A C 0.3764(8) 0.5350(4) 0.7832(4) 0.0495(16) Uani 0.7 1 d D U P A 1
H15A H 0.286124 0.529591 0.779947 0.059 Uiso 0.7 1 calc R U P A 1
C16 C 0.4141(5) 0.6657(3) 0.8132(3) 0.0513(14) Uani 1 1 d . . . . .
H16 H 0.412448 0.652201 0.872353 0.062 Uiso 1 1 calc R U . . .
C17 C 0.4254(4) 0.7455(3) 0.7936(3) 0.0381(10) Uani 1 1 d . . . . .
C18 C 0.4295(4) 0.7729(2) 0.7084(2) 0.0312(9) Uani 1 1 d . . . . .
C19 C 0.4398(4) 0.8506(2) 0.6958(3) 0.0328(9) Uani 1 1 d . . . . .
C20 C 0.4512(4) 0.9001(3) 0.7638(3) 0.0373(10) Uani 1 1 d . . . . .
H20 H 0.459812 0.952422 0.753292 0.045 Uiso 1 1 calc R U . . .
C21 C 0.4502(4) 0.8731(3) 0.8493(3) 0.0428(11) Uani 1 1 d . . . . .
C22 C 0.4358(4) 0.7975(3) 0.8621(3) 0.0416(11) Uani 1 1 d . . . . .
H22 H 0.432755 0.779405 0.919503 0.050 Uiso 1 1 calc R U . . .
C23 C 0.4464(6) 0.9492(2) 0.5898(3) 0.0484(13) Uani 1 1 d . . . . .
H23A H 0.529538 0.965642 0.605065 0.073 Uiso 1 1 calc R U . . .
H23B H 0.389605 0.977955 0.623387 0.073 Uiso 1 1 calc R U . . .
H23C H 0.427851 0.957698 0.528139 0.073 Uiso 1 1 calc R U . . .
C24 C 0.4666(5) 0.9279(3) 0.9240(3) 0.0533(14) Uani 1 1 d . . . . .
H24A H 0.553390 0.936374 0.937141 0.080 Uiso 1 1 calc R U . . .
H24B H 0.429886 0.906838 0.974805 0.080 Uiso 1 1 calc R U . . .
H24C H 0.427206 0.975696 0.908312 0.080 Uiso 1 1 calc R U . . .
O14 O 0.1759(3) 0.6432(2) 0.6278(2) 0.0485(8) Uani 1 1 d . . . . .
H14A H 0.151400 0.655548 0.678744 0.073 Uiso 1 1 d R U . . .
H14B H 0.157457 0.682451 0.595388 0.073 Uiso 1 1 d R U . . .
C13A C 0.3982(11) 0.4254(4) 0.8843(5) 0.072(2) Uani 0.7 1 d D U P A 1
H13A H 0.435260 0.408522 0.940456 0.087 Uiso 0.7 1 calc R U P A 1
H13B H 0.309433 0.417675 0.885351 0.087 Uiso 0.7 1 calc R U P A 1
C15 C 0.4572(16) 0.5250(9) 0.7721(10) 0.041(3) Uani 0.3 1 d D U P A -1
H15 H 0.539757 0.515980 0.750544 0.049 Uiso 0.3 1 calc R U P A -1
C11B C 0.3946(16) 0.4003(6) 0.7208(8) 0.050(2) Uani 0.7 1 d D U P A 1
H11A H 0.431367 0.370429 0.675065 0.060 Uiso 0.7 1 calc R U P A 1
H11B H 0.305497 0.393183 0.716141 0.060 Uiso 0.7 1 calc R U P A 1
C11 C 0.3523(16) 0.4839(9) 0.7198(11) 0.041(3) Uani 0.3 1 d D U P A -1
H11 H 0.268248 0.492931 0.738567 0.049 Uiso 0.3 1 calc R U P A -1
C12B C 0.390(2) 0.3729(13) 0.8156(14) 0.059(4) Uani 0.3 1 d D U P A -1
H12A H 0.402539 0.317762 0.819014 0.071 Uiso 0.3 1 calc R U P A -1
H12B H 0.308197 0.385577 0.834344 0.071 Uiso 0.3 1 calc R U P A -1
C13 C 0.4907(18) 0.4165(9) 0.8673(13) 0.060(3) Uani 0.3 1 d D U P A -1
H13C H 0.569045 0.412975 0.839460 0.072 Uiso 0.3 1 calc R U P A -1
H13D H 0.501191 0.397458 0.927237 0.072 Uiso 0.3 1 calc R U P A -1
C14 C 0.442(4) 0.4982(11) 0.8653(12) 0.056(3) Uani 0.3 1 d D U P A -1
H14C H 0.355044 0.499326 0.879128 0.068 Uiso 0.3 1 calc R U P A -1
H14D H 0.488617 0.530225 0.907106 0.068 Uiso 0.3 1 calc R U P A -1
C12A C 0.4479(10) 0.3766(6) 0.8118(5) 0.070(2) Uani 0.7 1 d D U P A 1
H12C H 0.427679 0.323209 0.822194 0.083 Uiso 0.7 1 calc R U P A 1
H12D H 0.537373 0.381150 0.813489 0.083 Uiso 0.7 1 calc R U P A 1
C11A C 0.409(4) 0.3996(17) 0.738(2) 0.055(3) Uani 0.3 1 d . U P A -1
H11C H 0.372179 0.364545 0.694033 0.066 Uiso 0.3 1 calc R U P A -1
H11D H 0.497147 0.401141 0.730047 0.066 Uiso 0.3 1 calc R U P A -1


_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 O2 2.337(3) . ?
Dy1 O1 2.724(3) . ?
Dy1 O3 2.305(3) . ?
Dy1 O4 2.553(3) . ?
Dy1 O6 2.499(4) . ?
Dy1 O5 2.429(3) . ?
Dy1 O9 2.476(3) . ?
Dy1 O8 2.531(3) . ?
Dy1 O11 2.463(4) . ?
Dy1 O12 2.386(3) . ?
Dy1 N3 2.883(4) . ?
Dy1 N5 2.843(4) . ?
Cu1 O2 1.927(3) . ?
Cu1 O3 1.899(3) . ?
Cu1 N1 1.920(4) . ?
Cu1 N2 1.913(4) . ?
Cu1 O14 2.410(3) . ?
O2 C1 1.344(5) . ?
O1 C2 1.378(5) . ?
O1 C7 1.444(5) . ?
O3 C18 1.331(5) . ?
O4 C19 1.396(5) . ?
O4 C23 1.436(5) . ?
O6 N3 1.241(5) . ?
O5 N3 1.268(5) . ?
O7 N3 1.226(5) . ?
O9 N4 1.288(5) . ?
O8 N4 1.233(5) . ?
O10 N4 1.223(5) . ?
O11 N5 1.275(6) . ?
O12 N5 1.266(6) . ?
O13 N5 1.208(6) . ?
N1 C9 1.274(6) . ?
N1 C10A 1.479(8) . ?
N1 C11 1.572(17) . ?
N2 C15A 1.477(8) . ?
N2 C16 1.266(7) . ?
N2 C15 1.668(18) . ?
C1 C2 1.399(6) . ?
C1 C10 1.409(6) . ?
C2 C3 1.385(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.402(7) . ?
C4 C5 1.362(7) . ?
C4 C8 1.507(7) . ?
C5 H5 0.9500 . ?
C5 C10 1.417(6) . ?
C10 C9 1.437(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9 0.9500 . ?
C10A H10A 1.0000 . ?
C10A C15A 1.539(8) . ?
C10A C15 1.193(16) . ?
C10A C11B 1.551(9) . ?
C10A C11 0.846(17) . ?
C10A C11A 1.58(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C15A 1.525(8) . ?
C6 C13A 1.553(8) . ?
C6 C15 1.65(2) . ?
C6 C13 1.83(2) . ?
C15A H15A 1.0000 . ?
C15A C15 0.934(18) . ?
C15A C11 1.356(17) . ?
C15A C14 1.57(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.456(7) . ?
C17 C18 1.413(6) . ?
C17 C22 1.409(6) . ?
C18 C19 1.400(6) . ?
C19 C20 1.376(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.411(6) . ?
C21 C22 1.369(7) . ?
C21 C24 1.517(6) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
O14 H14A 0.8781 . ?
O14 H14B 0.8777 . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
C13A C12B 1.42(2) . ?
C13A C13 1.08(2) . ?
C13A C14 1.42(3) . ?
C13A C12A 1.544(8) . ?
C15 H15 1.0000 . ?
C15 C11 1.560(9) . ?
C15 C14 1.542(10) . ?
C11B H11A 0.9900 . ?
C11B H11B 0.9900 . ?
C11B C11 1.56(2) . ?
C11B C12B 1.55(3) . ?
C11B C12A 1.559(8) . ?
C11 H11 1.0000 . ?
C11 C11A 1.64(4) . ?
C12B H12A 0.9900 . ?
C12B H12B 0.9900 . ?
C12B C13 1.543(9) . ?
C12B C12A 0.65(2) . ?
C12B C11A 1.33(4) . ?
C13 H13C 0.9900 . ?
C13 H13D 0.9900 . ?
C13 C14 1.550(10) . ?
C13 C12A 1.19(2) . ?
C14 H14C 0.9900 . ?
C14 H14D 0.9900 . ?
C12A H12C 0.9900 . ?
C12A H12D 0.9900 . ?
C12A C11A 1.27(3) . ?
C11A H11C 0.9900 . ?
C11A H11D 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
O2 Dy1 O1 60.12(9) . . ?
O2 Dy1 O4 127.28(9) . . ?
O2 Dy1 O6 106.85(12) . . ?
O2 Dy1 O5 78.93(11) . . ?
O2 Dy1 O9 154.07(11) . . ?
O2 Dy1 O8 108.37(10) . . ?
O2 Dy1 O11 78.06(11) . . ?
O2 Dy1 O12 122.05(12) . . ?
O2 Dy1 N3 93.59(11) . . ?
O2 Dy1 N5 99.73(13) . . ?
O1 Dy1 N3 123.76(10) . . ?
O1 Dy1 N5 67.80(11) . . ?
O3 Dy1 O2 65.80(10) . . ?
O3 Dy1 O1 119.09(10) . . ?
O3 Dy1 O4 62.89(9) . . ?
O3 Dy1 O6 71.33(12) . . ?
O3 Dy1 O5 97.31(12) . . ?
O3 Dy1 O9 131.06(11) . . ?
O3 Dy1 O8 167.98(11) . . ?
O3 Dy1 O11 74.35(12) . . ?
O3 Dy1 O12 117.46(12) . . ?
O3 Dy1 N3 84.10(11) . . ?
O3 Dy1 N5 97.17(13) . . ?
O4 Dy1 O1 143.58(10) . . ?
O4 Dy1 N3 92.50(11) . . ?
O4 Dy1 N5 75.82(11) . . ?
O6 Dy1 O1 149.15(11) . . ?
O6 Dy1 O4 67.19(11) . . ?
O6 Dy1 O8 101.71(12) . . ?
O6 Dy1 N3 25.40(11) . . ?
O6 Dy1 N5 142.57(12) . . ?
O5 Dy1 O1 97.89(10) . . ?
O5 Dy1 O4 118.33(11) . . ?
O5 Dy1 O6 51.25(11) . . ?
O5 Dy1 O9 79.20(13) . . ?
O5 Dy1 O8 70.91(12) . . ?
O5 Dy1 O11 156.95(11) . . ?
O5 Dy1 N3 25.87(11) . . ?
O5 Dy1 N5 163.39(12) . . ?
O9 Dy1 O1 109.68(10) . . ?
O9 Dy1 O4 75.95(10) . . ?
O9 Dy1 O6 68.98(14) . . ?
O9 Dy1 O8 50.69(10) . . ?
O9 Dy1 N3 71.91(13) . . ?
O9 Dy1 N5 97.25(15) . . ?
O8 Dy1 O1 62.03(10) . . ?
O8 Dy1 O4 124.29(9) . . ?
O8 Dy1 N3 85.86(11) . . ?
O8 Dy1 N5 94.18(12) . . ?
O11 Dy1 O1 69.25(10) . . ?
O11 Dy1 O4 77.55(11) . . ?
O11 Dy1 O6 138.95(12) . . ?
O11 Dy1 O9 122.65(13) . . ?
O11 Dy1 O8 115.58(11) . . ?
O11 Dy1 N3 158.45(11) . . ?
O11 Dy1 N5 26.59(13) . . ?
O12 Dy1 O1 73.86(11) . . ?
O12 Dy1 O4 74.32(10) . . ?
O12 Dy1 O6 129.81(13) . . ?
O12 Dy1 O5 144.08(13) . . ?
O12 Dy1 O9 71.44(14) . . ?
O12 Dy1 O8 74.56(12) . . ?
O12 Dy1 O11 52.70(13) . . ?
O12 Dy1 N3 143.05(13) . . ?
O12 Dy1 N5 26.19(13) . . ?
N5 Dy1 N3 165.91(13) . . ?
O2 Cu1 Dy1 41.87(8) . . ?
O2 Cu1 O14 92.96(13) . . ?
O3 Cu1 Dy1 40.64(8) . . ?
O3 Cu1 O2 82.43(12) . . ?
O3 Cu1 N1 172.16(17) . . ?
O3 Cu1 N2 95.18(15) . . ?
O3 Cu1 O14 92.87(13) . . ?
N1 Cu1 Dy1 135.77(13) . . ?
N1 Cu1 O2 94.78(15) . . ?
N1 Cu1 O14 94.60(16) . . ?
N2 Cu1 Dy1 134.81(12) . . ?
N2 Cu1 O2 171.44(17) . . ?
N2 Cu1 N1 86.50(17) . . ?
N2 Cu1 O14 95.37(18) . . ?
O14 Cu1 Dy1 95.80(9) . . ?
Cu1 O2 Dy1 104.73(12) . . ?
C1 O2 Dy1 131.9(2) . . ?
C1 O2 Cu1 119.3(3) . . ?
C2 O1 Dy1 117.4(2) . . ?
C2 O1 C7 115.8(3) . . ?
C7 O1 Dy1 126.7(2) . . ?
Cu1 O3 Dy1 106.91(12) . . ?
C18 O3 Dy1 127.9(2) . . ?
C18 O3 Cu1 125.2(3) . . ?
C19 O4 Dy1 117.7(2) . . ?
C19 O4 C23 116.5(3) . . ?
C23 O4 Dy1 124.2(2) . . ?
N3 O6 Dy1 94.8(3) . . ?
N3 O5 Dy1 97.5(3) . . ?
N4 O9 Dy1 96.9(2) . . ?
N4 O8 Dy1 95.8(2) . . ?
N5 O11 Dy1 93.6(3) . . ?
N5 O12 Dy1 97.5(3) . . ?
C9 N1 Cu1 125.2(3) . . ?
C9 N1 C10A 125.0(4) . . ?
C9 N1 C11 119.2(6) . . ?
C10A N1 Cu1 109.4(4) . . ?
C10A N1 C11 32.0(6) . . ?
C11 N1 Cu1 110.2(6) . . ?
C15A N2 Cu1 110.9(4) . . ?
C15A N2 C15 33.9(5) . . ?
C16 N2 Cu1 125.5(3) . . ?
C16 N2 C15A 122.0(4) . . ?
C16 N2 C15 126.9(6) . . ?
C15 N2 Cu1 103.8(6) . . ?
O6 N3 Dy1 59.8(2) . . ?
O6 N3 O5 116.4(4) . . ?
O5 N3 Dy1 56.6(2) . . ?
O7 N3 Dy1 177.9(3) . . ?
O7 N3 O6 122.3(4) . . ?
O7 N3 O5 121.3(4) . . ?
O9 N4 Dy1 57.2(2) . . ?
O8 N4 Dy1 59.4(2) . . ?
O8 N4 O9 116.5(4) . . ?
O10 N4 Dy1 177.0(3) . . ?
O10 N4 O9 120.6(4) . . ?
O10 N4 O8 122.9(4) . . ?
O11 N5 Dy1 59.8(2) . . ?
O12 N5 Dy1 56.3(2) . . ?
O12 N5 O11 115.9(4) . . ?
O13 N5 Dy1 173.2(4) . . ?
O13 N5 O11 122.3(6) . . ?
O13 N5 O12 121.8(5) . . ?
O2 C1 C2 116.9(4) . . ?
O2 C1 C10 124.7(4) . . ?
C2 C1 C10 118.4(4) . . ?
O1 C2 C1 113.5(4) . . ?
O1 C2 C3 124.8(4) . . ?
C3 C2 C1 121.8(4) . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.1(5) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C8 120.6(5) . . ?
C5 C4 C3 118.5(4) . . ?
C5 C4 C8 121.0(5) . . ?
C4 C5 H5 118.5 . . ?
C4 C5 C10 122.9(4) . . ?
C10 C5 H5 118.5 . . ?
C1 C10 C5 118.2(4) . . ?
C1 C10 C9 124.1(4) . . ?
C5 C10 C9 117.7(4) . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C10 124.0(4) . . ?
N1 C9 H9 118.0 . . ?
C10 C9 H9 118.0 . . ?
N1 C10A H10A 108.2 . . ?
N1 C10A C15A 105.8(5) . . ?
N1 C10A C11B 112.1(6) . . ?
N1 C10A C11A 122.9(13) . . ?
C15A C10A H10A 108.2 . . ?
C15A C10A C11B 114.3(9) . . ?
C15A C10A C11A 109.1(17) . . ?
C15 C10A N1 120.0(9) . . ?
C15 C10A H10A 70.9 . . ?
C15 C10A C15A 37.3(8) . . ?
C15 C10A C11B 125.4(10) . . ?
C15 C10A C11A 115.2(14) . . ?
C11B C10A H10A 108.2 . . ?
C11B C10A C11A 10.9(13) . . ?
C11 C10A N1 80.1(13) . . ?
C11 C10A H10A 168.7 . . ?
C11 C10A C15A 61.4(12) . . ?
C11 C10A C15 98.4(14) . . ?
C11 C10A C11B 74.6(14) . . ?
C11 C10A C11A 79(2) . . ?
C11A C10A H10A 101.9 . . ?
H6A C6 H6B 108.3 . . ?
C15A C6 H6A 109.9 . . ?
C15A C6 H6B 109.9 . . ?
C15A C6 C13A 108.9(8) . . ?
C15A C6 C15 34.0(6) . . ?
C15A C6 C13 109.7(9) . . ?
C13A C6 H6A 109.9 . . ?
C13A C6 H6B 109.9 . . ?
C13A C6 C15 108.2(9) . . ?
C13A C6 C13 36.0(7) . . ?
C15 C6 H6A 135.4 . . ?
C15 C6 H6B 79.0 . . ?
C15 C6 C13 89.3(11) . . ?
C13 C6 H6A 135.3 . . ?
C13 C6 H6B 76.4 . . ?
N2 C15A C10A 105.4(5) . . ?
N2 C15A C6 115.6(7) . . ?
N2 C15A H15A 108.2 . . ?
N2 C15A C14 120.1(14) . . ?
C10A C15A H15A 108.2 . . ?
C10A C15A C14 99.2(9) . . ?
C6 C15A C10A 110.9(8) . . ?
C6 C15A H15A 108.2 . . ?
C6 C15A C14 11.7(12) . . ?
C15 C15A N2 84.3(11) . . ?
C15 C15A C10A 50.7(9) . . ?
C15 C15A C6 80.2(14) . . ?
C15 C15A H15A 158.6 . . ?
C15 C15A C11 83.7(11) . . ?
C15 C15A C14 70.8(14) . . ?
C11 C15A N2 118.5(8) . . ?
C11 C15A C10A 33.2(7) . . ?
C11 C15A C6 121.1(9) . . ?
C11 C15A H15A 75.1 . . ?
C11 C15A C14 111.9(11) . . ?
C14 C15A H15A 114.3 . . ?
N2 C16 H16 117.0 . . ?
N2 C16 C17 125.9(4) . . ?
C17 C16 H16 117.0 . . ?
C18 C17 C16 122.6(4) . . ?
C22 C17 C16 119.1(4) . . ?
C22 C17 C18 118.3(4) . . ?
O3 C18 C17 124.7(4) . . ?
O3 C18 C19 116.7(3) . . ?
C19 C18 C17 118.6(4) . . ?
O4 C19 C18 112.8(3) . . ?
C20 C19 O4 125.3(4) . . ?
C20 C19 C18 121.9(4) . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0(4) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C24 119.6(5) . . ?
C22 C21 C20 118.5(4) . . ?
C22 C21 C24 121.9(4) . . ?
C17 C22 H22 118.6 . . ?
C21 C22 C17 122.7(4) . . ?
C21 C22 H22 118.6 . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Cu1 O14 H14A 109.8 . . ?
Cu1 O14 H14B 109.7 . . ?
H14A O14 H14B 104.1 . . ?
C6 C13A H13A 109.0 . . ?
C6 C13A H13B 109.0 . . ?
H13A C13A H13B 107.8 . . ?
C12B C13A C6 124.2(11) . . ?
C12B C13A H13A 118.0 . . ?
C12B C13A H13B 84.2 . . ?
C12B C13A C12A 24.8(9) . . ?
C13 C13A C6 86.2(14) . . ?
C13 C13A H13A 79.5 . . ?
C13 C13A H13B 158.9 . . ?
C13 C13A C12B 75.1(12) . . ?
C13 C13A C14 75.5(14) . . ?
C13 C13A C12A 50.4(10) . . ?
C14 C13A C6 11.2(16) . . ?
C14 C13A H13A 109.4 . . ?
C14 C13A H13B 118.4 . . ?
C14 C13A C12B 117.0(13) . . ?
C14 C13A C12A 103.0(11) . . ?
C12A C13A C6 113.0(9) . . ?
C12A C13A H13A 109.0 . . ?
C12A C13A H13B 109.0 . . ?
N2 C15 H15 114.5 . . ?
C10A C15 N2 113.0(10) . . ?
C10A C15 C6 124.7(11) . . ?
C10A C15 H15 82.0 . . ?
C10A C15 C11 32.5(8) . . ?
C10A C15 C14 119.6(15) . . ?
C6 C15 N2 100.1(11) . . ?
C6 C15 H15 123.1 . . ?
C15A C15 N2 61.8(11) . . ?
C15A C15 C10A 91.9(11) . . ?
C15A C15 C6 65.8(13) . . ?
C15A C15 H15 171.0 . . ?
C15A C15 C11 59.7(11) . . ?
C15A C15 C14 74.3(18) . . ?
C11 C15 N2 97.9(11) . . ?
C11 C15 C6 103.0(12) . . ?
C11 C15 H15 114.5 . . ?
C14 C15 N2 110.7(13) . . ?
C14 C15 C6 10.9(11) . . ?
C14 C15 H15 114.5 . . ?
C14 C15 C11 103.0(18) . . ?
C10A C11B H11A 110.9 . . ?
C10A C11B H11B 110.9 . . ?
C10A C11B C11 31.6(6) . . ?
C10A C11B C12B 113.2(11) . . ?
C10A C11B C12A 104.5(8) . . ?
H11A C11B H11B 108.9 . . ?
C11 C11B H11A 129.7 . . ?
C11 C11B H11B 79.9 . . ?
C11 C11B C12A 111.4(10) . . ?
C12B C11B H11A 123.1 . . ?
C12B C11B H11B 86.9 . . ?
C12B C11B C11 106.5(15) . . ?
C12B C11B C12A 24.0(8) . . ?
C12A C11B H11A 110.9 . . ?
C12A C11B H11B 110.9 . . ?
N1 C11 H11 116.6 . . ?
N1 C11 C11A 113.4(19) . . ?
C10A C11 N1 67.9(13) . . ?
C10A C11 C15A 85.4(11) . . ?
C10A C11 C15 49.1(11) . . ?
C10A C11 C11B 73.8(15) . . ?
C10A C11 H11 165.6 . . ?
C10A C11 C11A 71(2) . . ?
C15A C11 N1 110.4(10) . . ?
C15A C11 C15 36.5(8) . . ?
C15A C11 C11B 125.8(11) . . ?
C15A C11 H11 80.2 . . ?
C15A C11 C11A 115.5(15) . . ?
C15 C11 N1 95.5(10) . . ?
C15 C11 H11 116.6 . . ?
C15 C11 C11A 94.3(17) . . ?
C11B C11 N1 106.8(13) . . ?
C11B C11 C15 103.2(12) . . ?
C11B C11 H11 115.7 . . ?
C11B C11 C11A 10.3(12) . . ?
C11A C11 H11 116.6 . . ?
C13A C12B C11B 120.1(16) . . ?
C13A C12B H12A 127.5 . . ?
C13A C12B H12B 69.5 . . ?
C13A C12B C13 42.5(9) . . ?
C11B C12B H12A 110.4 . . ?
C11B C12B H12B 106.4 . . ?
H12A C12B H12B 109.7 . . ?
C13 C12B C11B 106.1(15) . . ?
C13 C12B H12A 112.0 . . ?
C13 C12B H12B 112.0 . . ?
C12A C12B C13A 89(2) . . ?
C12A C12B C11B 78(3) . . ?
C12A C12B H12A 88.4 . . ?
C12A C12B H12B 157.3 . . ?
C12A C12B C13 46.4(18) . . ?
C12A C12B C11A 71(3) . . ?
C11A C12B C13A 116(2) . . ?
C11A C12B C11B 8(2) . . ?
C11A C12B H12A 112.0 . . ?
C11A C12B H12B 112.0 . . ?
C11A C12B C13 99(2) . . ?
C6 C13 H13C 116.1 . . ?
C6 C13 H13D 107.1 . . ?
C13A C13 C6 57.8(11) . . ?
C13A C13 C12B 62.4(14) . . ?
C13A C13 H13C 167.4 . . ?
C13A C13 H13D 83.5 . . ?
C13A C13 C14 62.2(17) . . ?
C13A C13 C12A 85.4(13) . . ?
C12B C13 C6 101.8(15) . . ?
C12B C13 H13C 111.2 . . ?
C12B C13 H13D 111.2 . . ?
C12B C13 C14 103(2) . . ?
H13C C13 H13D 109.2 . . ?
C14 C13 C6 5.2(13) . . ?
C14 C13 H13C 111.2 . . ?
C14 C13 H13D 111.2 . . ?
C12A C13 C6 115.6(13) . . ?
C12A C13 C12B 23.1(11) . . ?
C12A C13 H13C 88.2 . . ?
C12A C13 H13D 119.8 . . ?
C12A C13 C14 114.6(17) . . ?
C15A C14 H14C 76.3 . . ?
C15A C14 H14D 119.5 . . ?
C13A C14 C15A 114(2) . . ?
C13A C14 C15 122.3(19) . . ?
C13A C14 C13 42.4(10) . . ?
C13A C14 H14C 68.5 . . ?
C13A C14 H14D 124.1 . . ?
C15 C14 C15A 34.9(8) . . ?
C15 C14 C13 104.6(14) . . ?
C15 C14 H14C 110.8 . . ?
C15 C14 H14D 110.8 . . ?
C13 C14 C15A 123.5(17) . . ?
C13 C14 H14C 110.8 . . ?
C13 C14 H14D 110.8 . . ?
H14C C14 H14D 108.9 . . ?
C13A C12A C11B 112.2(10) . . ?
C13A C12A H12C 109.2 . . ?
C13A C12A H12D 109.2 . . ?
C11B C12A H12C 109.2 . . ?
C11B C12A H12D 109.2 . . ?
C12B C12A C13A 66(2) . . ?
C12B C12A C11B 78(3) . . ?
C12B C12A C13 110(2) . . ?
C12B C12A H12C 69.8 . . ?
C12B C12A H12D 173.2 . . ?
C12B C12A C11A 80(3) . . ?
C13 C12A C13A 44.2(10) . . ?
C13 C12A C11B 127.6(12) . . ?
C13 C12A H12C 122.4 . . ?
C13 C12A H12D 65.0 . . ?
C13 C12A C11A 124.3(19) . . ?
H12C C12A H12D 107.9 . . ?
C11A C12A C13A 111(2) . . ?
C11A C12A C11B 4(2) . . ?
C11A C12A H12C 112.7 . . ?
C11A C12A H12D 106.7 . . ?
C10A C11A C11 30.4(8) . . ?
C10A C11A H11C 119.6 . . ?
C10A C11A H11D 78.3 . . ?
C11 C11A H11C 108.8 . . ?
C11 C11A H11D 108.8 . . ?
C12B C11A C10A 126(3) . . ?
C12B C11A C11 114(3) . . ?
C12B C11A H11C 108.8 . . ?
C12B C11A H11D 108.8 . . ?
C12A C11A C10A 119(2) . . ?
C12A C11A C11 124(3) . . ?
C12A C11A C12B 28.7(11) . . ?
C12A C11A H11C 121.5 . . ?
C12A C11A H11D 80.1 . . ?
H11C C11A H11D 107.7 . . ?

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 Cu1 O3 C18 -178.8(4) . . . . ?
Dy1 O2 C1 C2 -2.3(5) . . . . ?
Dy1 O2 C1 C10 177.7(3) . . . . ?
Dy1 O1 C2 C1 4.0(5) . . . . ?
Dy1 O1 C2 C3 -174.6(4) . . . . ?
Dy1 O3 C18 C17 -171.3(3) . . . . ?
Dy1 O3 C18 C19 8.6(6) . . . . ?
Dy1 O4 C19 C18 -12.8(5) . . . . ?
Dy1 O4 C19 C20 168.4(4) . . . . ?
Dy1 O6 N3 O5 -1.7(4) . . . . ?
Dy1 O6 N3 O7 179.3(4) . . . . ?
Dy1 O5 N3 O6 1.7(5) . . . . ?
Dy1 O5 N3 O7 -179.2(4) . . . . ?
Dy1 O9 N4 O8 -4.0(4) . . . . ?
Dy1 O9 N4 O10 177.7(4) . . . . ?
Dy1 O8 N4 O9 3.9(4) . . . . ?
Dy1 O8 N4 O10 -177.9(4) . . . . ?
Dy1 O11 N5 O12 -5.8(4) . . . . ?
Dy1 O11 N5 O13 172.5(5) . . . . ?
Dy1 O12 N5 O11 6.1(4) . . . . ?
Dy1 O12 N5 O13 -172.2(4) . . . . ?
Cu1 O2 C1 C2 151.5(3) . . . . ?
Cu1 O2 C1 C10 -28.5(5) . . . . ?
Cu1 O3 C18 C17 7.3(6) . . . . ?
Cu1 O3 C18 C19 -172.8(3) . . . . ?
Cu1 N1 C9 C10 1.6(7) . . . . ?
Cu1 N1 C10A C15A 41.1(7) . . . . ?
Cu1 N1 C10A C15 3.3(13) . . . . ?
Cu1 N1 C10A C11B 166.2(9) . . . . ?
Cu1 N1 C10A C11 97.4(13) . . . . ?
Cu1 N1 C10A C11A 167(2) . . . . ?
Cu1 N1 C11 C10A -94.5(13) . . . . ?
Cu1 N1 C11 C15A -18.6(14) . . . . ?
Cu1 N1 C11 C15 -52.9(13) . . . . ?
Cu1 N1 C11 C11B -158.5(7) . . . . ?
Cu1 N1 C11 C11A -150.0(16) . . . . ?
Cu1 N2 C15A C10A 37.1(7) . . . . ?
Cu1 N2 C15A C6 159.9(8) . . . . ?
Cu1 N2 C15A C15 83.7(11) . . . . ?
Cu1 N2 C15A C11 4.0(12) . . . . ?
Cu1 N2 C15A C14 147.7(12) . . . . ?
Cu1 N2 C16 C17 -6.1(9) . . . . ?
Cu1 N2 C15 C10A -27.7(14) . . . . ?
Cu1 N2 C15 C6 -162.4(7) . . . . ?
Cu1 N2 C15 C15A -107.0(10) . . . . ?
Cu1 N2 C15 C11 -57.7(12) . . . . ?
Cu1 N2 C15 C14 -164.9(17) . . . . ?
O2 Cu1 O3 Dy1 -2.96(14) . . . . ?
O2 Cu1 O3 C18 178.2(4) . . . . ?
O2 C1 C2 O1 -1.6(5) . . . . ?
O2 C1 C2 C3 177.0(4) . . . . ?
O2 C1 C10 C5 -175.9(4) . . . . ?
O2 C1 C10 C9 5.6(7) . . . . ?
O1 C2 C3 C4 178.7(4) . . . . ?
O3 C18 C19 O4 4.0(6) . . . . ?
O3 C18 C19 C20 -177.1(4) . . . . ?
O4 C19 C20 C21 177.4(4) . . . . ?
N1 C10A C15A N2 -50.0(8) . . . . ?
N1 C10A C15A C6 -175.8(8) . . . . ?
N1 C10A C15A C15 -119.0(14) . . . . ?
N1 C10A C15A C11 69.0(14) . . . . ?
N1 C10A C15A C14 -174.8(14) . . . . ?
N1 C10A C15 N2 16.2(17) . . . . ?
N1 C10A C15 C6 137.9(13) . . . . ?
N1 C10A C15 C15A 76.2(14) . . . . ?
N1 C10A C15 C11 83.3(15) . . . . ?
N1 C10A C15 C14 149.2(18) . . . . ?
N1 C10A C11B C11 -72.3(14) . . . . ?
N1 C10A C11B C12B -156.0(13) . . . . ?
N1 C10A C11B C12A -179.6(9) . . . . ?
N1 C10A C11 C15A -114.2(7) . . . . ?
N1 C10A C11 C15 -119.1(9) . . . . ?
N1 C10A C11 C11B 116.3(6) . . . . ?
N1 C10A C11 C11A 126.6(13) . . . . ?
N1 C10A C11A C11 -70.4(19) . . . . ?
N1 C10A C11A C12B -145(3) . . . . ?
N1 C10A C11A C12A -178(3) . . . . ?
N1 C11 C11A C10A 54.1(15) . . . . ?
N1 C11 C11A C12B 176(2) . . . . ?
N1 C11 C11A C12A 145(3) . . . . ?
N2 Cu1 O3 Dy1 168.77(19) . . . . ?
N2 Cu1 O3 C18 -10.1(4) . . . . ?
N2 C15A C15 C10A -115.2(8) . . . . ?
N2 C15A C15 C6 117.2(6) . . . . ?
N2 C15A C15 C11 -119.6(8) . . . . ?
N2 C15A C15 C14 124.6(12) . . . . ?
N2 C15A C11 N1 9.4(17) . . . . ?
N2 C15A C11 C10A 73.8(15) . . . . ?
N2 C15A C11 C15 80.1(12) . . . . ?
N2 C15A C11 C11B 140.0(15) . . . . ?
N2 C15A C11 C11A 140(2) . . . . ?
N2 C15A C14 C13A 176.0(12) . . . . ?
N2 C15A C14 C15 -71.2(13) . . . . ?
N2 C15A C14 C13 -137(2) . . . . ?
N2 C16 C17 C18 -0.3(9) . . . . ?
N2 C16 C17 C22 -178.6(5) . . . . ?
N2 C15 C11 N1 66.7(12) . . . . ?
N2 C15 C11 C10A 121.1(15) . . . . ?
N2 C15 C11 C15A -50.7(10) . . . . ?
N2 C15 C11 C11B 175.4(12) . . . . ?
N2 C15 C11 C11A -179.3(18) . . . . ?
N2 C15 C14 C15A 50.9(14) . . . . ?
N2 C15 C14 C13A 137(2) . . . . ?
N2 C15 C14 C13 179.3(16) . . . . ?
C1 C2 C3 C4 0.2(7) . . . . ?
C1 C10 C9 N1 9.9(8) . . . . ?
C2 C1 C10 C5 4.1(6) . . . . ?
C2 C1 C10 C9 -174.4(4) . . . . ?
C2 C3 C4 C5 1.5(7) . . . . ?
C2 C3 C4 C8 -178.2(5) . . . . ?
C3 C4 C5 C10 -0.3(8) . . . . ?
C4 C5 C10 C1 -2.5(7) . . . . ?
C4 C5 C10 C9 176.0(5) . . . . ?
C5 C10 C9 N1 -168.6(5) . . . . ?
C10 C1 C2 O1 178.3(4) . . . . ?
C10 C1 C2 C3 -3.0(7) . . . . ?
C7 O1 C2 C1 -171.9(4) . . . . ?
C7 O1 C2 C3 9.6(6) . . . . ?
C8 C4 C5 C10 179.4(5) . . . . ?
C9 N1 C10A C15A -146.5(6) . . . . ?
C9 N1 C10A C15 175.8(12) . . . . ?
C9 N1 C10A C11B -21.3(12) . . . . ?
C9 N1 C10A C11 -90.2(13) . . . . ?
C9 N1 C10A C11A -20(2) . . . . ?
C9 N1 C11 C10A 110.2(10) . . . . ?
C9 N1 C11 C15A -173.9(9) . . . . ?
C9 N1 C11 C15 151.8(10) . . . . ?
C9 N1 C11 C11B 46.2(12) . . . . ?
C9 N1 C11 C11A 54.7(19) . . . . ?
C10A N1 C9 C10 -169.8(6) . . . . ?
C10A N1 C11 C15A 75.9(10) . . . . ?
C10A N1 C11 C15 41.6(10) . . . . ?
C10A N1 C11 C11B -64.0(14) . . . . ?
C10A N1 C11 C11A -56(2) . . . . ?
C10A C15A C15 N2 115.2(8) . . . . ?
C10A C15A C15 C6 -127.6(10) . . . . ?
C10A C15A C15 C11 -4.4(10) . . . . ?
C10A C15A C15 C14 -120.2(14) . . . . ?
C10A C15A C11 N1 -64.4(13) . . . . ?
C10A C15A C11 C15 6.2(15) . . . . ?
C10A C15A C11 C11B 66.2(17) . . . . ?
C10A C15A C11 C11A 66(2) . . . . ?
C10A C15A C14 C13A -70.1(18) . . . . ?
C10A C15A C14 C15 42.7(11) . . . . ?
C10A C15A C14 C13 -23(3) . . . . ?
C10A C15 C11 N1 -54.4(12) . . . . ?
C10A C15 C11 C15A -172(2) . . . . ?
C10A C15 C11 C11B 54.3(14) . . . . ?
C10A C15 C11 C11A 60(2) . . . . ?
C10A C15 C14 C15A -83.1(15) . . . . ?
C10A C15 C14 C13A 3(4) . . . . ?
C10A C15 C14 C13 45(3) . . . . ?
C10A C11B C11 N1 60.2(13) . . . . ?
C10A C11B C11 C15A -71.7(14) . . . . ?
C10A C11B C11 C15 -39.8(10) . . . . ?
C10A C11B C11 C11A -71(13) . . . . ?
C10A C11B C12B C13A 9(3) . . . . ?
C10A C11B C12B C13 -35(2) . . . . ?
C10A C11B C12B C12A -73(3) . . . . ?
C10A C11B C12B C11A -53(16) . . . . ?
C10A C11B C12A C13A 57.0(14) . . . . ?
C10A C11B C12A C12B 115(3) . . . . ?
C10A C11B C12A C13 9(2) . . . . ?
C10A C11B C12A C11A -18(45) . . . . ?
C10A C11 C11A C12B 122(3) . . . . ?
C10A C11 C11A C12A 91(4) . . . . ?
C6 C15A C15 N2 -117.2(6) . . . . ?
C6 C15A C15 C10A 127.6(10) . . . . ?
C6 C15A C15 C11 123.2(9) . . . . ?
C6 C15A C15 C14 7.3(13) . . . . ?
C6 C15A C11 N1 -145.1(11) . . . . ?
C6 C15A C11 C10A -80.7(17) . . . . ?
C6 C15A C11 C15 -74.5(16) . . . . ?
C6 C15A C11 C11B -15(2) . . . . ?
C6 C15A C11 C11A -15(3) . . . . ?
C6 C15A C14 C13A 105(10) . . . . ?
C6 C15A C14 C15 -142(9) . . . . ?
C6 C15A C14 C13 153(11) . . . . ?
C6 C13A C12B C11B -6(3) . . . . ?
C6 C13A C12B C13 74.7(18) . . . . ?
C6 C13A C12B C12A 70(3) . . . . ?
C6 C13A C12B C11A 1(4) . . . . ?
C6 C13A C13 C12B -126.9(11) . . . . ?
C6 C13A C13 C14 -3.2(13) . . . . ?
C6 C13A C13 C12A -124.3(10) . . . . ?
C6 C13A C14 C15A -83(9) . . . . ?
C6 C13A C14 C15 -121(10) . . . . ?
C6 C13A C14 C13 163(8) . . . . ?
C6 C13A C12A C11B -58.1(14) . . . . ?
C6 C13A C12A C12B -123(3) . . . . ?
C6 C13A C12A C13 63.6(15) . . . . ?
C6 C13A C12A C11A -54(2) . . . . ?
C6 C15 C11 N1 169.0(11) . . . . ?
C6 C15 C11 C10A -136.6(17) . . . . ?
C6 C15 C11 C15A 51.6(11) . . . . ?
C6 C15 C11 C11B -82.3(16) . . . . ?
C6 C15 C11 C11A -77(2) . . . . ?
C6 C15 C14 C15A 38(10) . . . . ?
C6 C15 C14 C13A 124(12) . . . . ?
C6 C15 C14 C13 167(12) . . . . ?
C6 C13 C14 C15A -122(21) . . . . ?
C6 C13 C14 C13A -32(18) . . . . ?
C6 C13 C14 C15 -154(21) . . . . ?
C6 C13 C12A C13A -50.8(12) . . . . ?
C6 C13 C12A C11B 33(3) . . . . ?
C6 C13 C12A C12B -57(3) . . . . ?
C6 C13 C12A C11A 35(4) . . . . ?
C15A N2 C16 C17 -170.4(6) . . . . ?
C15A N2 C15 C10A 79.3(11) . . . . ?
C15A N2 C15 C6 -55.5(11) . . . . ?
C15A N2 C15 C11 49.3(10) . . . . ?
C15A N2 C15 C14 -58(2) . . . . ?
C15A C10A C15 N2 -60.0(12) . . . . ?
C15A C10A C15 C6 61.6(15) . . . . ?
C15A C10A C15 C11 7.1(17) . . . . ?
C15A C10A C15 C14 73(2) . . . . ?
C15A C10A C11B C11 48.0(12) . . . . ?
C15A C10A C11B C12B -35.7(17) . . . . ?
C15A C10A C11B C12A -59.3(14) . . . . ?
C15A C10A C11 N1 114.2(7) . . . . ?
C15A C10A C11 C15 -4.9(12) . . . . ?
C15A C10A C11 C11B -129.4(9) . . . . ?
C15A C10A C11 C11A -119.1(14) . . . . ?
C15A C10A C11A C11 54.2(13) . . . . ?
C15A C10A C11A C12B -21(5) . . . . ?
C15A C10A C11A C12A -54(4) . . . . ?
C15A C6 C13A C12B 29(2) . . . . ?
C15A C6 C13A C13 97.6(15) . . . . ?
C15A C6 C13A C14 81(7) . . . . ?
C15A C6 C13A C12A 53.9(15) . . . . ?
C15A C6 C15 N2 52.7(10) . . . . ?
C15A C6 C15 C10A -74.6(14) . . . . ?
C15A C6 C15 C11 -47.9(10) . . . . ?
C15A C6 C15 C14 -139(10) . . . . ?
C15A C6 C13 C13A -95.4(14) . . . . ?
C15A C6 C13 C12B -49.1(18) . . . . ?
C15A C6 C13 C14 51(18) . . . . ?
C15A C6 C13 C12A -29(2) . . . . ?
C15A C15 C11 N1 117.4(13) . . . . ?
C15A C15 C11 C10A 172(2) . . . . ?
C15A C15 C11 C11B -133.9(15) . . . . ?
C15A C15 C11 C11A -129(2) . . . . ?
C15A C15 C14 C13A 86(3) . . . . ?
C15A C15 C14 C13 128(2) . . . . ?
C15A C11 C11A C10A -74.8(15) . . . . ?
C15A C11 C11A C12B 47(4) . . . . ?
C15A C11 C11A C12A 16(5) . . . . ?
C16 N2 C15A C10A -156.5(6) . . . . ?
C16 N2 C15A C6 -33.6(12) . . . . ?
C16 N2 C15A C15 -109.8(11) . . . . ?
C16 N2 C15A C11 170.5(11) . . . . ?
C16 N2 C15A C14 -45.9(14) . . . . ?
C16 N2 C15 C10A 173.3(10) . . . . ?
C16 N2 C15 C6 38.6(12) . . . . ?
C16 N2 C15 C15A 94.1(10) . . . . ?
C16 N2 C15 C11 143.4(10) . . . . ?
C16 N2 C15 C14 36(2) . . . . ?
C16 C17 C18 O3 -0.4(8) . . . . ?
C16 C17 C18 C19 179.7(5) . . . . ?
C16 C17 C22 C21 178.1(5) . . . . ?
C17 C18 C19 O4 -176.0(4) . . . . ?
C17 C18 C19 C20 2.8(7) . . . . ?
C18 C17 C22 C21 -0.3(8) . . . . ?
C18 C19 C20 C21 -1.3(7) . . . . ?
C19 C20 C21 C22 -1.0(7) . . . . ?
C19 C20 C21 C24 178.2(5) . . . . ?
C20 C21 C22 C17 1.8(8) . . . . ?
C22 C17 C18 O3 178.0(4) . . . . ?
C22 C17 C18 C19 -2.0(7) . . . . ?
C23 O4 C19 C18 -179.2(4) . . . . ?
C23 O4 C19 C20 2.0(7) . . . . ?
C24 C21 C22 C17 -177.4(5) . . . . ?
O14 Cu1 O3 Dy1 -95.57(14) . . . . ?
O14 Cu1 O3 C18 85.6(4) . . . . ?
C13A C6 C15A N2 -173.4(9) . . . . ?
C13A C6 C15A C10A -53.5(14) . . . . ?
C13A C6 C15A C15 -94.6(15) . . . . ?
C13A C6 C15A C11 -18.1(19) . . . . ?
C13A C6 C15A C14 -58(8) . . . . ?
C13A C6 C15 N2 149.9(10) . . . . ?
C13A C6 C15 C10A 23(2) . . . . ?
C13A C6 C15 C15A 97.2(14) . . . . ?
C13A C6 C15 C11 49.3(16) . . . . ?
C13A C6 C15 C14 -42(9) . . . . ?
C13A C6 C13 C12B 46.4(13) . . . . ?
C13A C6 C13 C14 146(19) . . . . ?
C13A C6 C13 C12A 66.0(14) . . . . ?
C13A C12B C13 C6 -43.7(10) . . . . ?
C13A C12B C13 C14 -48.9(13) . . . . ?
C13A C12B C13 C12A -173(3) . . . . ?
C13A C12B C12A C11B -121.2(12) . . . . ?
C13A C12B C12A C13 5(2) . . . . ?
C13A C12B C12A C11A -118(2) . . . . ?
C13A C12B C11A C10A -6(5) . . . . ?
C13A C12B C11A C11 -38(4) . . . . ?
C13A C12B C11A C12A 79(2) . . . . ?
C13A C13 C14 C15A -90(3) . . . . ?
C13A C13 C14 C15 -122(3) . . . . ?
C13A C13 C12A C11B 83.7(19) . . . . ?
C13A C13 C12A C12B -6(3) . . . . ?
C13A C13 C12A C11A 86(3) . . . . ?
C13A C12A C11A C10A 54(4) . . . . ?
C13A C12A C11A C11 19(4) . . . . ?
C13A C12A C11A C12B -60(3) . . . . ?
C15 N2 C15A C10A -46.6(9) . . . . ?
C15 N2 C15A C6 76.2(15) . . . . ?
C15 N2 C15A C11 -79.7(12) . . . . ?
C15 N2 C15A C14 64.0(14) . . . . ?
C15 N2 C16 C17 148.6(9) . . . . ?
C15 C10A C15A N2 69.1(13) . . . . ?
C15 C10A C15A C6 -56.7(15) . . . . ?
C15 C10A C15A C11 -172.0(19) . . . . ?
C15 C10A C15A C14 -55.8(17) . . . . ?
C15 C10A C11B C11 89.5(16) . . . . ?
C15 C10A C11B C12B 6(2) . . . . ?
C15 C10A C11B C12A -18(2) . . . . ?
C15 C10A C11 N1 119.1(9) . . . . ?
C15 C10A C11 C15A 4.9(12) . . . . ?
C15 C10A C11 C11B -124.5(10) . . . . ?
C15 C10A C11 C11A -114.2(14) . . . . ?
C15 C10A C11A C11 94.2(17) . . . . ?
C15 C10A C11A C12B 19(5) . . . . ?
C15 C10A C11A C12A -14(5) . . . . ?
C15 C6 C15A N2 -78.8(13) . . . . ?
C15 C6 C15A C10A 41.1(10) . . . . ?
C15 C6 C15A C11 76.5(14) . . . . ?
C15 C6 C15A C14 36(9) . . . . ?
C15 C6 C13A C12B -7(2) . . . . ?
C15 C6 C13A C13 61.7(16) . . . . ?
C15 C6 C13A C14 45(7) . . . . ?
C15 C6 C13A C12A 18.0(15) . . . . ?
C15 C6 C13 C13A -123.2(13) . . . . ?
C15 C6 C13 C12B -76.8(16) . . . . ?
C15 C6 C13 C14 23(18) . . . . ?
C15 C6 C13 C12A -57.2(18) . . . . ?
C15 C15A C11 N1 -70.6(15) . . . . ?
C15 C15A C11 C10A -6.2(15) . . . . ?
C15 C15A C11 C11B 59.9(19) . . . . ?
C15 C15A C11 C11A 60(2) . . . . ?
C15 C15A C14 C13A -112.8(18) . . . . ?
C15 C15A C14 C13 -65(3) . . . . ?
C15 C11 C11A C10A -43.8(11) . . . . ?
C15 C11 C11A C12B 78(3) . . . . ?
C15 C11 C11A C12A 47(4) . . . . ?
C11B C10A C15A N2 -173.7(7) . . . . ?
C11B C10A C15A C6 60.5(11) . . . . ?
C11B C10A C15A C15 117.2(14) . . . . ?
C11B C10A C15A C11 -54.8(14) . . . . ?
C11B C10A C15A C14 61.4(16) . . . . ?
C11B C10A C15 N2 -144.2(12) . . . . ?
C11B C10A C15 C6 -23(2) . . . . ?
C11B C10A C15 C15A -84.2(17) . . . . ?
C11B C10A C15 C11 -77.1(17) . . . . ?
C11B C10A C15 C14 -11(3) . . . . ?
C11B C10A C11 N1 -116.3(6) . . . . ?
C11B C10A C11 C15A 129.4(9) . . . . ?
C11B C10A C11 C15 124.5(10) . . . . ?
C11B C10A C11 C11A 10.3(14) . . . . ?
C11B C10A C11A C11 -66(13) . . . . ?
C11B C10A C11A C12B -141(17) . . . . ?
C11B C10A C11A C12A -174(17) . . . . ?
C11B C11 C11A C10A 106(13) . . . . ?
C11B C11 C11A C12B -132(15) . . . . ?
C11B C11 C11A C12A -163(16) . . . . ?
C11B C12B C13 C6 74(2) . . . . ?
C11B C12B C13 C13A 117.3(19) . . . . ?
C11B C12B C13 C14 68(2) . . . . ?
C11B C12B C13 C12A -56(3) . . . . ?
C11B C12B C12A C13A 121.2(12) . . . . ?
C11B C12B C12A C13 125.8(16) . . . . ?
C11B C12B C12A C11A 3(2) . . . . ?
C11B C12B C11A C10A 116(20) . . . . ?
C11B C12B C11A C11 84(18) . . . . ?
C11B C12B C11A C12A -160(17) . . . . ?
C11B C12A C11A C10A 161(50) . . . . ?
C11B C12A C11A C11 125(49) . . . . ?
C11B C12A C11A C12B 47(46) . . . . ?
C11 N1 C9 C10 152.8(9) . . . . ?
C11 N1 C10A C15A -56.3(12) . . . . ?
C11 N1 C10A C15 -94.0(15) . . . . ?
C11 N1 C10A C11B 68.8(16) . . . . ?
C11 N1 C10A C11A 70(3) . . . . ?
C11 C10A C15A N2 -119.0(14) . . . . ?
C11 C10A C15A C6 115.3(15) . . . . ?
C11 C10A C15A C15 172.0(19) . . . . ?
C11 C10A C15A C14 116.2(19) . . . . ?
C11 C10A C15 N2 -67.2(16) . . . . ?
C11 C10A C15 C6 55(2) . . . . ?
C11 C10A C15 C15A -7.1(17) . . . . ?
C11 C10A C15 C14 66(2) . . . . ?
C11 C10A C11B C12B -84(2) . . . . ?
C11 C10A C11B C12A -107.3(17) . . . . ?
C11 C10A C11A C12B -75(4) . . . . ?
C11 C10A C11A C12A -108(4) . . . . ?
C11 C15A C15 N2 119.6(8) . . . . ?
C11 C15A C15 C10A 4.4(10) . . . . ?
C11 C15A C15 C6 -123.2(9) . . . . ?
C11 C15A C15 C14 -115.8(13) . . . . ?
C11 C15A C14 C13A -38(2) . . . . ?
C11 C15A C14 C15 74.7(14) . . . . ?
C11 C15A C14 C13 9(3) . . . . ?
C11 C15 C14 C15A -52.9(11) . . . . ?
C11 C15 C14 C13A 33(3) . . . . ?
C11 C15 C14 C13 75(2) . . . . ?
C11 C11B C12B C13A -24(2) . . . . ?
C11 C11B C12B C13 -68(2) . . . . ?
C11 C11B C12B C12A -106(3) . . . . ?
C11 C11B C12B C11A -86(17) . . . . ?
C11 C11B C12A C13A 24.6(16) . . . . ?
C11 C11B C12A C12B 82(3) . . . . ?
C11 C11B C12A C13 -24(2) . . . . ?
C11 C11B C12A C11A -50(45) . . . . ?
C12B C13A C13 C6 126.9(11) . . . . ?
C12B C13A C13 C14 123.7(15) . . . . ?
C12B C13A C13 C12A 2.7(14) . . . . ?
C12B C13A C14 C15A 50(2) . . . . ?
C12B C13A C14 C15 11(3) . . . . ?
C12B C13A C14 C13 -64.5(16) . . . . ?
C12B C13A C12A C11B 64(3) . . . . ?
C12B C13A C12A C13 -174(3) . . . . ?
C12B C13A C12A C11A 68(3) . . . . ?
C12B C11B C11 N1 167.9(11) . . . . ?
C12B C11B C11 C10A 107.8(16) . . . . ?
C12B C11B C11 C15A 36(2) . . . . ?
C12B C11B C11 C15 68.0(17) . . . . ?
C12B C11B C11 C11A 37(12) . . . . ?
C12B C11B C12A C13A -58(2) . . . . ?
C12B C11B C12A C13 -106(3) . . . . ?
C12B C11B C12A C11A -133(46) . . . . ?
C12B C13 C14 C15A -41(3) . . . . ?
C12B C13 C14 C13A 49.1(14) . . . . ?
C12B C13 C14 C15 -73(3) . . . . ?
C12B C13 C12A C13A 6(3) . . . . ?
C12B C13 C12A C11B 90(3) . . . . ?
C12B C13 C12A C11A 92(4) . . . . ?
C12B C12A C11A C10A 114(5) . . . . ?
C12B C12A C11A C11 79(5) . . . . ?
C13 C6 C15A N2 -135.2(10) . . . . ?
C13 C6 C15A C10A -15.3(14) . . . . ?
C13 C6 C15A C15 -56.4(15) . . . . ?
C13 C6 C15A C11 20.1(18) . . . . ?
C13 C6 C15A C14 -20(8) . . . . ?
C13 C6 C13A C12B -69.1(16) . . . . ?
C13 C6 C13A C14 -16(8) . . . . ?
C13 C6 C13A C12A -43.8(11) . . . . ?
C13 C6 C15 N2 -178.9(9) . . . . ?
C13 C6 C15 C10A 53.8(19) . . . . ?
C13 C6 C15 C15A 128.4(12) . . . . ?
C13 C6 C15 C11 80.5(14) . . . . ?
C13 C6 C15 C14 -11(10) . . . . ?
C13 C13A C12B C11B -81(2) . . . . ?
C13 C13A C12B C12A -5(3) . . . . ?
C13 C13A C12B C11A -73(3) . . . . ?
C13 C13A C14 C15A 114.2(18) . . . . ?
C13 C13A C14 C15 76(3) . . . . ?
C13 C13A C12A C11B -121.7(17) . . . . ?
C13 C13A C12A C12B 174(3) . . . . ?
C13 C13A C12A C11A -118(3) . . . . ?
C13 C12B C12A C13A -5(2) . . . . ?
C13 C12B C12A C11B -125.8(16) . . . . ?
C13 C12B C12A C11A -123(2) . . . . ?
C13 C12B C11A C10A -46(5) . . . . ?
C13 C12B C11A C11 -79(3) . . . . ?
C13 C12B C11A C12A 37.9(18) . . . . ?
C13 C12A C11A C10A 6(5) . . . . ?
C13 C12A C11A C11 -29(5) . . . . ?
C13 C12A C11A C12B -108(3) . . . . ?
C14 C15A C15 N2 -124.6(12) . . . . ?
C14 C15A C15 C10A 120.2(14) . . . . ?
C14 C15A C15 C6 -7.3(13) . . . . ?
C14 C15A C15 C11 115.8(13) . . . . ?
C14 C15A C11 N1 -137.0(17) . . . . ?
C14 C15A C11 C10A -73(2) . . . . ?
C14 C15A C11 C15 -66.4(16) . . . . ?
C14 C15A C11 C11B -6(2) . . . . ?
C14 C15A C11 C11A -7(3) . . . . ?
C14 C13A C12B C11B -16(3) . . . . ?
C14 C13A C12B C13 64.7(18) . . . . ?
C14 C13A C12B C12A 60(3) . . . . ?
C14 C13A C12B C11A -9(4) . . . . ?
C14 C13A C13 C6 3.2(13) . . . . ?
C14 C13A C13 C12B -123.7(15) . . . . ?
C14 C13A C13 C12A -121.0(15) . . . . ?
C14 C13A C12A C11B -63.4(18) . . . . ?
C14 C13A C12A C12B -128(3) . . . . ?
C14 C13A C12A C13 58.3(18) . . . . ?
C14 C13A C12A C11A -60(3) . . . . ?
C14 C15 C11 N1 -179.8(13) . . . . ?
C14 C15 C11 C10A -125.4(19) . . . . ?
C14 C15 C11 C15A 62.8(14) . . . . ?
C14 C15 C11 C11B -71.1(18) . . . . ?
C14 C15 C11 C11A -66(2) . . . . ?
C14 C13 C12A C13A -56.5(17) . . . . ?
C14 C13 C12A C11B 27(3) . . . . ?
C14 C13 C12A C12B -63(4) . . . . ?
C14 C13 C12A C11A 29(4) . . . . ?
C12A C13A C12B C11B -76(3) . . . . ?
C12A C13A C12B C13 5(3) . . . . ?
C12A C13A C12B C11A -68(3) . . . . ?
C12A C13A C13 C6 124.3(10) . . . . ?
C12A C13A C13 C12B -2.7(14) . . . . ?
C12A C13A C13 C14 121.0(15) . . . . ?
C12A C13A C14 C15A 71.6(18) . . . . ?
C12A C13A C14 C15 33(3) . . . . ?
C12A C13A C14 C13 -42.6(12) . . . . ?
C12A C11B C11 N1 143.1(11) . . . . ?
C12A C11B C11 C10A 82.9(17) . . . . ?
C12A C11B C11 C15A 11(2) . . . . ?
C12A C11B C11 C15 43.1(18) . . . . ?
C12A C11B C11 C11A 12(12) . . . . ?
C12A C11B C12B C13A 82(2) . . . . ?
C12A C11B C12B C13 37.7(17) . . . . ?
C12A C11B C12B C11A 20(17) . . . . ?
C12A C12B C13 C6 129(3) . . . . ?
C12A C12B C13 C13A 173(3) . . . . ?
C12A C12B C13 C14 124(3) . . . . ?
C12A C12B C11A C10A -84(5) . . . . ?
C12A C12B C11A C11 -117(4) . . . . ?
C12A C13 C14 C15A -20(4) . . . . ?
C12A C13 C14 C13A 70.0(15) . . . . ?
C12A C13 C14 C15 -52(3) . . . . ?
C11A C10A C15A N2 175.9(16) . . . . ?
C11A C10A C15A C6 50.1(19) . . . . ?
C11A C10A C15A C15 107(2) . . . . ?
C11A C10A C15A C11 -65(2) . . . . ?
C11A C10A C15A C14 51(2) . . . . ?
C11A C10A C15 N2 -149(2) . . . . ?
C11A C10A C15 C6 -27(3) . . . . ?
C11A C10A C15 C15A -89(2) . . . . ?
C11A C10A C15 C11 -82(3) . . . . ?
C11A C10A C15 C14 -16(3) . . . . ?
C11A C10A C11B C11 112(14) . . . . ?
C11A C10A C11B C12B 28(13) . . . . ?
C11A C10A C11B C12A 5(13) . . . . ?
C11A C10A C11 N1 -126.6(13) . . . . ?
C11A C10A C11 C15A 119.1(14) . . . . ?
C11A C10A C11 C15 114.2(14) . . . . ?
C11A C10A C11 C11B -10.3(14) . . . . ?
C11A C12B C13 C6 76(3) . . . . ?
C11A C12B C13 C13A 120(3) . . . . ?
C11A C12B C13 C14 71(3) . . . . ?
C11A C12B C13 C12A -53(3) . . . . ?
C11A C12B C12A C13A 118(2) . . . . ?
C11A C12B C12A C11B -3(2) . . . . ?
C11A C12B C12A C13 123(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_complex-2_apjg19
_database_code_depnum_ccdc_archive 'CCDC 2388323'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2024-12-15 deposited with the CCDC.	2024-12-24 downloaded from the CCDC.
;
_audit_creation_date             2024-12-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H30 Cu N5 O14 Tb'
_chemical_formula_sum            'C24 H30 Cu N5 O14 Tb'
_chemical_formula_weight         834.99
_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'
Cu Cu 0.3201 1.2651 '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'
Tb Tb -0.1723 4.1537 '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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.9930(9)
_cell_length_b                   17.7673(13)
_cell_length_c                   15.5779(12)
_cell_angle_alpha                90
_cell_angle_beta                 92.795(3)
_cell_angle_gamma                90
_cell_volume                     3039.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    603
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      2.99
_cell_measurement_theta_min      25.12
_shelx_estimated_absorpt_T_max   0.837
_shelx_estimated_absorpt_T_min   0.578
_exptl_absorpt_coefficient_mu    3.084
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6214
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brownish-green
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1660
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            56456
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.205
_diffrn_reflns_theta_min         2.180
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5598
_reflns_number_total             6702
_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       Apex-II
_computing_data_collection       Apex-II
_computing_data_reduction        Apex-II
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.177
_refine_diff_density_min         -1.309
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         6702
_refine_ls_number_restraints     315
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0506
_refine_ls_restrained_S_all      1.109
_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)+(0.0089P)²+35.2830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1127
_refine_ls_wR_factor_ref         0.1204
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C13A-C12B
 1.5 with sigma of 0.02
 C15A-C14B = C14B-C13A
 1.55 with sigma of 0.01
 C10A-C11A = C11A-C12B
 1.55 with sigma of 0.01
 C10-C11B = C11B-C12A
 1.55 with sigma of 0.01
 C15-C14A = C14A-C13
 1.55 with sigma of 0.01
 C12B-C13A
 1.55 with sigma of 0.01
 C12A-C13
 1.55 with sigma of 0.01
 C10A-C15A
 1.55 with sigma of 0.01
 C15-C10
 1.55 with sigma of 0.01
 N1-C10
 1.5 with sigma of 0.01
 N1-C10A
 1.5 with sigma of 0.01
 N2-C15A
 1.5 with sigma of 0.01
 N2-C15
 1.5 with sigma of 0.01
 C15A-C14A
 1.55 with sigma of 0.01
 C15-C14B
 1.55 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C10A \\sim C15 \\sim C15A \\sim C14B \\sim C14A \\sim C13 \\sim C13A \\sim C12B
\\sim C12A \\sim C11A \\sim C11B \\sim C10: within 1.7A with sigma of 0.02 and
sigma for terminal atoms of 0.02 within 1.7A
Uanis(C15) \\sim Ueq, Uanis(C15A) \\sim Ueq, Uanis(C10A) \\sim Ueq, Uanis(C10)
\\sim Ueq, Uanis(C11B) \\sim Ueq, Uanis(C12B) \\sim Ueq, Uanis(C13A) \\sim Ueq,
Uanis(C13) \\sim Ueq, Uanis(C14B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C15, C15A, C10, C10A, C11B, C12B, C13A, C13, C14B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C10, C10A, C15, C15A, C14B, C14A, C13, C13A, C12B, C12A, C11B, C11A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C10A, C15A, C15, C14B, C14A, C13, C13A, C12B, C12A, C11A, C11B, C10
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Others
 Fixed Sof: C10(0.7) H10(0.7) C11B(0.7) H11A(0.7) H11B(0.7) C12B(0.3)
 H12A(0.3) H12B(0.3) C13(0.7) H13A(0.7) H13B(0.7) C13A(0.3) H13C(0.3) H13D(0.3)
 C14B(0.3) H14C(0.3) H14D(0.3) C15(0.7) H15(0.7) C15A(0.3) H15A(0.3) C10A(0.3)
 H10A(0.3) C11A(0.3) H11C(0.3) H11D(0.3) C12A(0.7) H12C(0.7) H12D(0.7)
 C14A(0.7) H14E(0.7) H14F(0.7)
6.a Rotating group:
 O14(H14A,H14B)
6.b Ternary CH refined with riding coordinates:
 C10(H10), C15(H15), C15A(H15A), C10A(H10A)
6.c Secondary CH2 refined with riding coordinates:
 C11B(H11A,H11B), C12B(H12A,H12B), C13(H13A,H13B), C13A(H13C,H13D), C14B(H14C,
 H14D), C11A(H11C,H11D), C12A(H12C,H12D), C14A(H14E,H14F)
6.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9), C16(H16), C20(H20), C22(H22)
6.e Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_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
Tb1 Tb 0.45414(3) 0.76603(2) 0.49672(2) 0.03228(10) Uani 1 1 d . . . . .
Cu1 Cu 0.39148(8) 0.62475(5) 0.63379(6) 0.0345(2) Uani 1 1 d . . . . .
O2 O 0.4035(4) 0.6388(2) 0.5123(3) 0.0323(10) Uani 1 1 d . . . . .
O1 O 0.3344(5) 0.6921(3) 0.3652(3) 0.0364(11) Uani 1 1 d . . . . .
O3 O 0.4241(5) 0.7294(3) 0.6364(3) 0.0390(12) Uani 1 1 d . . . . .
O4 O 0.4362(5) 0.8703(3) 0.6076(3) 0.0363(11) Uani 1 1 d . . . . .
O14 O 0.1762(5) 0.6435(4) 0.6272(4) 0.0545(15) Uani 1 1 d . . . . .
H14A H 0.151129 0.652530 0.678852 0.082 Uiso 1 1 d R U . . .
H14B H 0.157879 0.684683 0.598233 0.082 Uiso 1 1 d R U . . .
O11 O 0.2335(5) 0.7724(3) 0.5116(4) 0.0480(13) Uani 1 1 d . . . . .
O12 O 0.3147(6) 0.8561(3) 0.4314(4) 0.0523(15) Uani 1 1 d . . . . .
O13 O 0.1190(7) 0.8506(5) 0.4346(6) 0.092(3) Uani 1 1 d . . . . .
O5 O 0.6523(5) 0.7055(3) 0.4865(4) 0.0477(14) Uani 1 1 d . . . . .
O6 O 0.6484(6) 0.7891(4) 0.5858(4) 0.0628(18) Uani 1 1 d . . . . .
O7 O 0.8161(6) 0.7292(4) 0.5658(4) 0.0641(17) Uani 1 1 d . . . . .
O8 O 0.5263(6) 0.7862(3) 0.3462(3) 0.0459(13) Uani 1 1 d . . . . .
O9 O 0.5736(7) 0.8720(3) 0.4385(4) 0.0595(17) Uani 1 1 d . . . . .
O10 O 0.6191(7) 0.8856(3) 0.3062(4) 0.0641(19) Uani 1 1 d . . . . .
N1 N 0.3818(7) 0.5171(4) 0.6275(4) 0.0457(16) Uani 1 1 d D . . . .
N2 N 0.4064(8) 0.6113(4) 0.7561(4) 0.054(2) Uani 1 1 d D . . . .
N3 N 0.2189(8) 0.8277(5) 0.4590(5) 0.059(2) Uani 1 1 d . . . . .
N4 N 0.7091(6) 0.7409(4) 0.5459(4) 0.0447(15) Uani 1 1 d . . . . .
N5 N 0.5732(6) 0.8486(4) 0.3619(4) 0.0429(15) Uani 1 1 d . . . . .
C1 C 0.3503(6) 0.5891(4) 0.4576(5) 0.0337(15) Uani 1 1 d . . . . .
C2 C 0.3133(7) 0.6159(4) 0.3768(5) 0.0363(16) Uani 1 1 d . . . . .
C3 C 0.2626(7) 0.5688(5) 0.3134(5) 0.0428(18) Uani 1 1 d . . . . .
H3 H 0.238628 0.588482 0.258439 0.051 Uiso 1 1 calc R U . . .
C4 C 0.2473(7) 0.4928(4) 0.3308(6) 0.0439(19) Uani 1 1 d . . . . .
C5 C 0.2798(7) 0.4669(4) 0.4097(6) 0.0438(19) Uani 1 1 d . . . . .
H5 H 0.267492 0.415065 0.421482 0.053 Uiso 1 1 calc R U . . .
C6 C 0.3317(7) 0.5129(4) 0.4762(5) 0.0358(16) Uani 1 1 d . . . . .
C7 C 0.2831(9) 0.7250(5) 0.2877(5) 0.050(2) Uani 1 1 d . . . . .
H7A H 0.194552 0.717959 0.285003 0.075 Uiso 1 1 calc R U . . .
H7B H 0.317742 0.700690 0.237994 0.075 Uiso 1 1 calc R U . . .
H7C H 0.301800 0.778936 0.287074 0.075 Uiso 1 1 calc R U . . .
C8 C 0.1944(10) 0.4403(5) 0.2617(7) 0.065(3) Uani 1 1 d . . . . .
H8A H 0.126538 0.465304 0.230103 0.098 Uiso 1 1 calc R U . . .
H8B H 0.164922 0.394303 0.288554 0.098 Uiso 1 1 calc R U . . .
H8C H 0.257521 0.427387 0.221955 0.098 Uiso 1 1 calc R U . . .
C9 C 0.3535(7) 0.4807(4) 0.5591(6) 0.0442(18) Uani 1 1 d . . . . .
H9 H 0.346293 0.427556 0.563742 0.053 Uiso 1 1 calc R U . . .
C10 C 0.4288(12) 0.4840(6) 0.7112(6) 0.051(2) Uani 0.7 1 d D U P A -1
H10 H 0.519504 0.489066 0.716383 0.061 Uiso 0.7 1 calc R U P A -1
C11B C 0.393(2) 0.3996(7) 0.7208(11) 0.053(3) Uani 0.7 1 d D U P A -1
H11A H 0.303149 0.393679 0.717633 0.064 Uiso 0.7 1 calc R U P A -1
H11B H 0.427575 0.368733 0.675137 0.064 Uiso 0.7 1 calc R U P A -1
C12B C 0.387(3) 0.3756(19) 0.8185(19) 0.055(4) Uani 0.3 1 d D U P A 1
H12A H 0.306036 0.389325 0.838203 0.066 Uiso 0.3 1 calc R U P A 1
H12B H 0.398232 0.320422 0.823976 0.066 Uiso 0.3 1 calc R U P A 1
C13 C 0.3955(15) 0.4252(7) 0.8823(8) 0.065(3) Uani 0.7 1 d D U P A -1
H13A H 0.305313 0.425922 0.879548 0.078 Uiso 0.7 1 calc R U P A -1
H13B H 0.425879 0.408472 0.940105 0.078 Uiso 0.7 1 calc R U P A -1
C13A C 0.489(3) 0.4179(17) 0.870(2) 0.058(4) Uani 0.3 1 d D U P A 1
H13C H 0.566432 0.417640 0.841086 0.070 Uiso 0.3 1 calc R U P A 1
H13D H 0.501522 0.397405 0.929260 0.070 Uiso 0.3 1 calc R U P A 1
C14B C 0.449(4) 0.501(3) 0.858(2) 0.059(4) Uani 0.3 1 d D U P A -1
H14C H 0.534461 0.494341 0.841763 0.071 Uiso 0.3 1 calc R U P A -1
H14D H 0.448034 0.536013 0.907030 0.071 Uiso 0.3 1 calc R U P A -1
C15 C 0.3708(12) 0.5331(5) 0.7803(7) 0.050(2) Uani 0.7 1 d D U P A -1
H15 H 0.281125 0.525555 0.784367 0.059 Uiso 0.7 1 calc R U P A -1
C15A C 0.446(2) 0.5307(7) 0.7756(10) 0.046(3) Uani 0.3 1 d D U P A 1
H15A H 0.532759 0.522324 0.762489 0.055 Uiso 0.3 1 calc R U P A 1
C16 C 0.4138(9) 0.6640(5) 0.8103(5) 0.052(2) Uani 1 1 d . . . . .
H16 H 0.411349 0.650259 0.869171 0.062 Uiso 1 1 calc R U . . .
C17 C 0.4258(7) 0.7440(5) 0.7914(5) 0.0402(17) Uani 1 1 d . . . . .
C18 C 0.4304(6) 0.7713(4) 0.7068(4) 0.0332(15) Uani 1 1 d . . . . .
C19 C 0.4388(7) 0.8498(4) 0.6954(4) 0.0342(15) Uani 1 1 d . . . . .
C20 C 0.4509(7) 0.8985(4) 0.7633(5) 0.0383(16) Uani 1 1 d . . . . .
H20 H 0.458913 0.950967 0.753237 0.046 Uiso 1 1 calc R U . . .
C21 C 0.4515(7) 0.8711(5) 0.8479(5) 0.0437(18) Uani 1 1 d . . . . .
C22 C 0.4355(7) 0.7956(5) 0.8602(5) 0.0428(18) Uani 1 1 d . . . . .
H22 H 0.430803 0.777239 0.917231 0.051 Uiso 1 1 calc R U . . .
C23 C 0.4461(9) 0.9488(4) 0.5894(5) 0.051(2) Uani 1 1 d . . . . .
H23A H 0.529077 0.965915 0.604882 0.076 Uiso 1 1 calc R U . . .
H23B H 0.388085 0.976879 0.622867 0.076 Uiso 1 1 calc R U . . .
H23C H 0.428081 0.957495 0.527962 0.076 Uiso 1 1 calc R U . . .
C24 C 0.4669(9) 0.9244(6) 0.9227(5) 0.058(2) Uani 1 1 d . . . . .
H24A H 0.553842 0.931788 0.937163 0.086 Uiso 1 1 calc R U . . .
H24B H 0.427573 0.903205 0.972441 0.086 Uiso 1 1 calc R U . . .
H24C H 0.429268 0.972846 0.907358 0.086 Uiso 1 1 calc R U . . .
C10A C 0.358(2) 0.4842(12) 0.7146(9) 0.040(3) Uani 0.3 1 d D U P A 1
H10A H 0.271357 0.490165 0.729346 0.048 Uiso 0.3 1 calc R U P A 1
C11A C 0.402(5) 0.4014(16) 0.725(2) 0.050(4) Uani 0.3 1 d D U P A 1
H11C H 0.353772 0.368537 0.685039 0.060 Uiso 0.3 1 calc R U P A 1
H11D H 0.488838 0.397627 0.710708 0.060 Uiso 0.3 1 calc R U P A 1
C12A C 0.4468(15) 0.3765(8) 0.8100(8) 0.066(3) Uani 0.7 1 d D U P A -1
H12C H 0.536471 0.381890 0.811215 0.079 Uiso 0.7 1 calc R U P A -1
H12D H 0.427773 0.322898 0.820500 0.079 Uiso 0.7 1 calc R U P A -1
C14A C 0.4212(15) 0.5081(11) 0.8704(9) 0.054(3) Uani 0.7 1 d D U P A 1
H14E H 0.333128 0.505922 0.880645 0.065 Uiso 0.7 1 calc R U P A 1
H14F H 0.462617 0.542256 0.912704 0.065 Uiso 0.7 1 calc R U P A 1


_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
Tb1 O2 2.343(4) . ?
Tb1 O1 2.719(5) . ?
Tb1 O3 2.311(5) . ?
Tb1 O4 2.547(5) . ?
Tb1 O11 2.450(6) . ?
Tb1 O12 2.407(6) . ?
Tb1 O5 2.442(6) . ?
Tb1 O6 2.523(6) . ?
Tb1 O8 2.536(5) . ?
Tb1 O9 2.491(6) . ?
Tb1 N3 2.844(8) . ?
Tb1 N4 2.904(7) . ?
Cu1 O2 1.919(5) . ?
Cu1 O3 1.893(5) . ?
Cu1 O14 2.387(6) . ?
Cu1 N1 1.917(6) . ?
Cu1 N2 1.919(7) . ?
O2 C1 1.343(8) . ?
O1 C2 1.387(8) . ?
O1 C7 1.432(9) . ?
O3 C18 1.325(8) . ?
O4 C19 1.415(8) . ?
O4 C23 1.428(8) . ?
O14 H14A 0.8784 . ?
O14 H14B 0.8781 . ?
O11 N3 1.284(10) . ?
O12 N3 1.263(11) . ?
O13 N3 1.215(10) . ?
O5 N4 1.260(8) . ?
O6 N4 1.267(9) . ?
O7 N4 1.220(9) . ?
O8 N5 1.243(8) . ?
O9 N5 1.264(9) . ?
O10 N5 1.217(8) . ?
N1 C9 1.274(10) . ?
N1 C10 1.498(8) . ?
N1 C10A 1.511(10) . ?
N2 C15 1.497(8) . ?
N2 C15A 1.521(10) . ?
N2 C16 1.262(11) . ?
C1 C2 1.388(11) . ?
C1 C6 1.400(10) . ?
C2 C3 1.390(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.389(11) . ?
C4 C5 1.345(12) . ?
C4 C8 1.518(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.418(10) . ?
C6 C9 1.422(11) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9 0.9500 . ?
C10 H10 1.0000 . ?
C10 C11B 1.559(10) . ?
C10 C15 1.547(9) . ?
C10 C15A 1.31(2) . ?
C10 C10A 0.78(2) . ?
C10 C11A 1.51(4) . ?
C11B H11A 0.9900 . ?
C11B H11B 0.9900 . ?
C11B C12B 1.59(4) . ?
C11B C10A 1.55(3) . ?
C11B C12A 1.541(9) . ?
C12B H12A 0.9900 . ?
C12B H12B 0.9900 . ?
C12B C13 1.33(3) . ?
C12B C13A 1.538(9) . ?
C12B C11A 1.545(10) . ?
C12B C12A 0.67(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C13A 1.06(3) . ?
C13 C14B 1.52(6) . ?
C13 C12A 1.548(9) . ?
C13 C14A 1.51(2) . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C13A C14B 1.55(5) . ?
C13A C12A 1.26(3) . ?
C13A C14A 1.77(4) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C14B C15 1.557(10) . ?
C14B C15A 1.38(4) . ?
C15 H15 1.0000 . ?
C15 C15A 0.83(2) . ?
C15 C10A 1.34(2) . ?
C15 C14A 1.548(19) . ?
C15A H15A 1.0000 . ?
C15A C10A 1.555(10) . ?
C15A C14A 1.566(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.459(12) . ?
C17 C18 1.408(10) . ?
C17 C22 1.411(11) . ?
C18 C19 1.409(10) . ?
C19 C20 1.369(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.405(11) . ?
C21 C22 1.367(12) . ?
C21 C24 1.505(11) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C10A H10A 1.0000 . ?
C10A C11A 1.554(10) . ?
C11A H11C 0.9900 . ?
C11A H11D 0.9900 . ?
C11A C12A 1.46(4) . ?
C12A H12C 0.9900 . ?
C12A H12D 0.9900 . ?
C14A H14E 0.9900 . ?
C14A H14F 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
O2 Tb1 O1 60.24(16) . . ?
O2 Tb1 O4 127.20(16) . . ?
O2 Tb1 O11 78.09(18) . . ?
O2 Tb1 O12 122.4(2) . . ?
O2 Tb1 O5 78.41(18) . . ?
O2 Tb1 O6 107.4(2) . . ?
O2 Tb1 O8 108.59(16) . . ?
O2 Tb1 O9 153.99(19) . . ?
O2 Tb1 N3 100.1(2) . . ?
O2 Tb1 N4 93.20(18) . . ?
O1 Tb1 N3 68.17(19) . . ?
O1 Tb1 N4 123.38(18) . . ?
O3 Tb1 O2 65.47(16) . . ?
O3 Tb1 O1 119.18(16) . . ?
O3 Tb1 O4 63.07(16) . . ?
O3 Tb1 O11 74.72(19) . . ?
O3 Tb1 O12 117.9(2) . . ?
O3 Tb1 O5 96.1(2) . . ?
O3 Tb1 O6 71.6(2) . . ?
O3 Tb1 O8 167.34(19) . . ?
O3 Tb1 O9 131.12(19) . . ?
O3 Tb1 N3 97.6(2) . . ?
O3 Tb1 N4 83.61(19) . . ?
O4 Tb1 O1 144.26(16) . . ?
O4 Tb1 N3 76.13(19) . . ?
O4 Tb1 N4 92.21(18) . . ?
O11 Tb1 O1 69.42(17) . . ?
O11 Tb1 O4 78.02(18) . . ?
O11 Tb1 O6 139.09(19) . . ?
O11 Tb1 O8 115.87(19) . . ?
O11 Tb1 O9 122.8(2) . . ?
O11 Tb1 N3 26.8(2) . . ?
O11 Tb1 N4 158.34(19) . . ?
O12 Tb1 O1 74.20(18) . . ?
O12 Tb1 O4 74.58(18) . . ?
O12 Tb1 O11 52.9(2) . . ?
O12 Tb1 O5 144.8(2) . . ?
O12 Tb1 O6 128.9(2) . . ?
O12 Tb1 O8 74.7(2) . . ?
O12 Tb1 O9 71.3(2) . . ?
O12 Tb1 N3 26.2(2) . . ?
O12 Tb1 N4 143.1(2) . . ?
O5 Tb1 O1 97.97(17) . . ?
O5 Tb1 O4 117.62(18) . . ?
O5 Tb1 O11 156.48(19) . . ?
O5 Tb1 O6 51.22(19) . . ?
O5 Tb1 O8 71.4(2) . . ?
O5 Tb1 O9 79.7(2) . . ?
O5 Tb1 N3 164.1(2) . . ?
O5 Tb1 N4 25.42(18) . . ?
O6 Tb1 O1 149.17(18) . . ?
O6 Tb1 O4 66.44(18) . . ?
O6 Tb1 O8 101.0(2) . . ?
O6 Tb1 N3 142.0(2) . . ?
O6 Tb1 N4 25.80(19) . . ?
O8 Tb1 O1 62.19(16) . . ?
O8 Tb1 O4 124.19(16) . . ?
O8 Tb1 N3 94.4(2) . . ?
O8 Tb1 N4 85.65(19) . . ?
O9 Tb1 O1 109.59(18) . . ?
O9 Tb1 O4 75.91(18) . . ?
O9 Tb1 O6 68.3(2) . . ?
O9 Tb1 O8 50.43(18) . . ?
O9 Tb1 N3 97.1(3) . . ?
O9 Tb1 N4 72.1(2) . . ?
N3 Tb1 N4 166.0(2) . . ?
O2 Cu1 Tb1 41.94(13) . . ?
O2 Cu1 O14 93.2(2) . . ?
O3 Cu1 Tb1 40.72(14) . . ?
O3 Cu1 O2 82.6(2) . . ?
O3 Cu1 O14 92.9(2) . . ?
O3 Cu1 N1 172.0(3) . . ?
O3 Cu1 N2 95.4(2) . . ?
O14 Cu1 Tb1 95.80(16) . . ?
N1 Cu1 Tb1 136.0(2) . . ?
N1 Cu1 O2 95.0(2) . . ?
N1 Cu1 O14 94.8(3) . . ?
N1 Cu1 N2 85.9(3) . . ?
N2 Cu1 Tb1 135.06(19) . . ?
N2 Cu1 O2 171.1(3) . . ?
N2 Cu1 O14 95.6(3) . . ?
Cu1 O2 Tb1 104.9(2) . . ?
C1 O2 Tb1 131.9(4) . . ?
C1 O2 Cu1 119.4(4) . . ?
C2 O1 Tb1 116.8(4) . . ?
C2 O1 C7 116.6(6) . . ?
C7 O1 Tb1 126.5(4) . . ?
Cu1 O3 Tb1 107.0(2) . . ?
C18 O3 Tb1 128.1(4) . . ?
C18 O3 Cu1 124.9(4) . . ?
C19 O4 Tb1 118.0(4) . . ?
C19 O4 C23 116.4(5) . . ?
C23 O4 Tb1 124.5(4) . . ?
Cu1 O14 H14A 109.9 . . ?
Cu1 O14 H14B 109.9 . . ?
H14A O14 H14B 104.1 . . ?
N3 O11 Tb1 93.9(5) . . ?
N3 O12 Tb1 96.6(5) . . ?
N4 O5 Tb1 98.2(4) . . ?
N4 O6 Tb1 94.2(5) . . ?
N5 O8 Tb1 95.2(4) . . ?
N5 O9 Tb1 96.8(4) . . ?
C9 N1 Cu1 124.1(5) . . ?
C9 N1 C10 126.0(7) . . ?
C9 N1 C10A 120.6(10) . . ?
C10 N1 Cu1 109.4(6) . . ?
C10 N1 C10A 30.0(9) . . ?
C10A N1 Cu1 110.6(10) . . ?
C15 N2 Cu1 110.8(6) . . ?
C15 N2 C15A 31.9(9) . . ?
C15A N2 Cu1 109.0(7) . . ?
C16 N2 Cu1 124.9(6) . . ?
C16 N2 C15 121.9(8) . . ?
C16 N2 C15A 123.8(9) . . ?
O11 N3 Tb1 59.3(4) . . ?
O12 N3 Tb1 57.2(4) . . ?
O12 N3 O11 116.3(7) . . ?
O13 N3 Tb1 173.3(6) . . ?
O13 N3 O11 122.6(10) . . ?
O13 N3 O12 121.0(9) . . ?
O5 N4 Tb1 56.3(4) . . ?
O5 N4 O6 116.4(7) . . ?
O6 N4 Tb1 60.0(4) . . ?
O7 N4 Tb1 178.8(6) . . ?
O7 N4 O5 122.6(7) . . ?
O7 N4 O6 121.1(7) . . ?
O8 N5 Tb1 59.8(4) . . ?
O8 N5 O9 117.4(6) . . ?
O9 N5 Tb1 57.8(4) . . ?
O10 N5 Tb1 177.2(6) . . ?
O10 N5 O8 121.6(7) . . ?
O10 N5 O9 120.9(7) . . ?
O2 C1 C2 116.7(6) . . ?
O2 C1 C6 124.6(7) . . ?
C2 C1 C6 118.7(7) . . ?
O1 C2 C1 114.2(6) . . ?
O1 C2 C3 124.0(7) . . ?
C1 C2 C3 121.8(7) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.7(8) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C8 120.3(8) . . ?
C5 C4 C3 118.8(7) . . ?
C5 C4 C8 120.9(8) . . ?
C4 C5 H5 118.3 . . ?
C4 C5 C6 123.4(7) . . ?
C6 C5 H5 118.3 . . ?
C1 C6 C5 117.6(7) . . ?
C1 C6 C9 123.9(7) . . ?
C5 C6 C9 118.3(7) . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C6 125.3(7) . . ?
N1 C9 H9 117.3 . . ?
C6 C9 H9 117.3 . . ?
N1 C10 H10 109.6 . . ?
N1 C10 C11B 112.5(9) . . ?
N1 C10 C15 104.3(8) . . ?
N1 C10 C11A 116.3(19) . . ?
C11B C10 H10 109.6 . . ?
C15 C10 H10 109.6 . . ?
C15 C10 C11B 111.1(12) . . ?
C15A C10 N1 116.6(9) . . ?
C15A C10 H10 77.1 . . ?
C15A C10 C11B 124.3(11) . . ?
C15A C10 C15 32.5(10) . . ?
C15A C10 C11A 121.8(15) . . ?
C10A C10 N1 75.9(10) . . ?
C10A C10 H10 169.8 . . ?
C10A C10 C11B 75(2) . . ?
C10A C10 C15 60.3(17) . . ?
C10A C10 C15A 92.7(16) . . ?
C10A C10 C11A 78(3) . . ?
C11A C10 H10 105.9 . . ?
C11A C10 C11B 4(3) . . ?
C11A C10 C15 111.0(17) . . ?
C10 C11B H11A 110.8 . . ?
C10 C11B H11B 110.8 . . ?
C10 C11B C12B 111.9(15) . . ?
H11A C11B H11B 108.9 . . ?
C12B C11B H11A 86.3 . . ?
C12B C11B H11B 125.0 . . ?
C10A C11B C10 29.0(8) . . ?
C10A C11B H11A 82.0 . . ?
C10A C11B H11B 126.5 . . ?
C10A C11B C12B 107.5(19) . . ?
C12A C11B C10 104.8(11) . . ?
C12A C11B H11A 110.8 . . ?
C12A C11B H11B 110.8 . . ?
C12A C11B C12B 24.8(11) . . ?
C12A C11B C10A 113.4(13) . . ?
C11B C12B H12A 107.9 . . ?
C11B C12B H12B 109.8 . . ?
H12A C12B H12B 109.0 . . ?
C13 C12B C11B 122(2) . . ?
C13 C12B H12A 68.5 . . ?
C13 C12B H12B 126.1 . . ?
C13 C12B C13A 42.5(15) . . ?
C13 C12B C11A 120(3) . . ?
C13A C12B C11B 108(2) . . ?
C13A C12B H12A 110.9 . . ?
C13A C12B H12B 110.9 . . ?
C13A C12B C11A 104(3) . . ?
C11A C12B C11B 4(3) . . ?
C11A C12B H12A 110.9 . . ?
C11A C12B H12B 110.9 . . ?
C12A C12B C11B 74(3) . . ?
C12A C12B H12A 162.7 . . ?
C12A C12B H12B 85.8 . . ?
C12A C12B C13 96(3) . . ?
C12A C12B C13A 54(3) . . ?
C12A C12B C11A 70(4) . . ?
C12B C13 H13A 86.9 . . ?
C12B C13 H13B 119.3 . . ?
C12B C13 C14B 114(2) . . ?
C12B C13 C12A 25.6(13) . . ?
C12B C13 C14A 124.1(17) . . ?
H13A C13 H13B 109.7 . . ?
C13A C13 C12B 79.4(18) . . ?
C13A C13 H13A 165.9 . . ?
C13A C13 H13B 80.6 . . ?
C13A C13 C14B 71(2) . . ?
C13A C13 C12A 54.1(17) . . ?
C13A C13 C14A 85(2) . . ?
C14B C13 H13A 112.0 . . ?
C14B C13 H13B 112.0 . . ?
C14B C13 C12A 99(2) . . ?
C12A C13 H13A 112.0 . . ?
C12A C13 H13B 112.0 . . ?
C14A C13 H13A 100.0 . . ?
C14A C13 H13B 110.3 . . ?
C14A C13 C14B 15(2) . . ?
C14A C13 C12A 112.2(12) . . ?
C12B C13A H13C 112.0 . . ?
C12B C13A H13D 112.0 . . ?
C12B C13A C14B 102(3) . . ?
C12B C13A C14A 99(2) . . ?
C13 C13A C12B 58(2) . . ?
C13 C13A H13C 161.5 . . ?
C13 C13A H13D 88.8 . . ?
C13 C13A C14B 69(3) . . ?
C13 C13A C12A 83.3(18) . . ?
C13 C13A C14A 58.6(19) . . ?
H13C C13A H13D 109.7 . . ?
C14B C13A H13C 100.9 . . ?
C14B C13A H13D 119.6 . . ?
C14B C13A C14A 11(2) . . ?
C12A C13A C12B 25.4(14) . . ?
C12A C13A H13C 86.9 . . ?
C12A C13A H13D 120.5 . . ?
C12A C13A C14B 112(3) . . ?
C12A C13A C14A 113(2) . . ?
C14A C13A H13C 112.0 . . ?
C14A C13A H13D 112.0 . . ?
C13 C14B C13A 40.2(17) . . ?
C13 C14B H14C 110.0 . . ?
C13 C14B H14D 110.0 . . ?
C13 C14B C15 108(3) . . ?
C13A C14B H14C 69.9 . . ?
C13A C14B H14D 121.1 . . ?
C13A C14B C15 126(3) . . ?
H14C C14B H14D 108.4 . . ?
C15 C14B H14C 110.0 . . ?
C15 C14B H14D 110.0 . . ?
C15A C14B C13 125(3) . . ?
C15A C14B C13A 119(4) . . ?
C15A C14B H14C 78.2 . . ?
C15A C14B H14D 118.3 . . ?
C15A C14B C15 32.1(10) . . ?
N2 C15 C10 103.1(8) . . ?
N2 C15 C14B 113(2) . . ?
N2 C15 H15 114.2 . . ?
N2 C15 C14A 114.0(11) . . ?
C10 C15 C14B 96(2) . . ?
C10 C15 H15 114.2 . . ?
C10 C15 C14A 109.2(10) . . ?
C14B C15 H15 114.2 . . ?
C15A C15 N2 75.6(9) . . ?
C15A C15 C10 57.8(14) . . ?
C15A C15 C14B 62(2) . . ?
C15A C15 H15 169.4 . . ?
C15A C15 C10A 88.0(15) . . ?
C15A C15 C14A 75.7(14) . . ?
C10A C15 N2 115.2(9) . . ?
C10A C15 C10 30.3(10) . . ?
C10A C15 C14B 113(2) . . ?
C10A C15 H15 84.2 . . ?
C10A C15 C14A 121.6(13) . . ?
C14A C15 C14B 15(2) . . ?
C14A C15 H15 102.4 . . ?
N2 C15A H15A 111.4 . . ?
N2 C15A C10A 102.5(14) . . ?
N2 C15A C14A 111.7(12) . . ?
C10 C15A N2 114.5(11) . . ?
C10 C15A C14B 118(3) . . ?
C10 C15A H15A 81.3 . . ?
C10 C15A C10A 30.0(10) . . ?
C10 C15A C14A 122.4(14) . . ?
C14B C15A N2 123(2) . . ?
C14B C15A H15A 98.6 . . ?
C14B C15A C10A 110(3) . . ?
C14B C15A C14A 14(2) . . ?
C15 C15A N2 72.4(10) . . ?
C15 C15A C10 89.7(18) . . ?
C15 C15A C14B 85(3) . . ?
C15 C15A H15A 171.1 . . ?
C15 C15A C10A 59.7(16) . . ?
C15 C15A C14A 73.4(16) . . ?
C10A C15A H15A 111.4 . . ?
C10A C15A C14A 108.1(14) . . ?
C14A C15A H15A 111.4 . . ?
N2 C16 H16 116.9 . . ?
N2 C16 C17 126.2(7) . . ?
C17 C16 H16 116.9 . . ?
C18 C17 C16 122.2(7) . . ?
C18 C17 C22 118.8(7) . . ?
C22 C17 C16 119.0(7) . . ?
O3 C18 C17 125.3(7) . . ?
O3 C18 C19 116.9(6) . . ?
C17 C18 C19 117.7(6) . . ?
C18 C19 O4 112.3(6) . . ?
C20 C19 O4 125.5(7) . . ?
C20 C19 C18 122.2(7) . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.1(7) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 C24 120.3(8) . . ?
C22 C21 C20 118.5(7) . . ?
C22 C21 C24 121.2(8) . . ?
C17 C22 H22 118.8 . . ?
C21 C22 C17 122.5(7) . . ?
C21 C22 H22 118.8 . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N1 C10A C11B 112.3(17) . . ?
N1 C10A C15A 102.4(11) . . ?
N1 C10A H10A 111.8 . . ?
N1 C10A C11A 113.2(17) . . ?
C10 C10A N1 74.1(10) . . ?
C10 C10A C11B 76(3) . . ?
C10 C10A C15 89.5(18) . . ?
C10 C10A C15A 57.2(15) . . ?
C10 C10A H10A 169.0 . . ?
C10 C10A C11A 72(3) . . ?
C11B C10A C15A 109.6(16) . . ?
C11B C10A H10A 108.7 . . ?
C11B C10A C11A 5(3) . . ?
C15 C10A N1 114.7(13) . . ?
C15 C10A C11B 124.3(13) . . ?
C15 C10A C15A 32.3(10) . . ?
C15 C10A H10A 79.6 . . ?
C15 C10A C11A 121(2) . . ?
C15A C10A H10A 111.8 . . ?
C11A C10A C15A 105(2) . . ?
C11A C10A H10A 111.8 . . ?
C10 C11A C12B 117(3) . . ?
C10 C11A C10A 29.4(10) . . ?
C10 C11A H11C 125.8 . . ?
C10 C11A H11D 80.8 . . ?
C12B C11A C10A 109(2) . . ?
C12B C11A H11C 109.8 . . ?
C12B C11A H11D 109.8 . . ?
C10A C11A H11C 109.8 . . ?
C10A C11A H11D 109.8 . . ?
H11C C11A H11D 108.2 . . ?
C12A C11A C10 111(3) . . ?
C12A C11A C12B 25.7(13) . . ?
C12A C11A C10A 118(2) . . ?
C12A C11A H11C 122.5 . . ?
C12A C11A H11D 84.2 . . ?
C11B C12A C13 111.7(13) . . ?
C11B C12A H12C 109.3 . . ?
C11B C12A H12D 109.3 . . ?
C12B C12A C11B 81(4) . . ?
C12B C12A C13 59(3) . . ?
C12B C12A C13A 101(3) . . ?
C12B C12A C11A 84(3) . . ?
C12B C12A H12C 166.9 . . ?
C12B C12A H12D 74.3 . . ?
C13 C12A H12C 109.3 . . ?
C13 C12A H12D 109.3 . . ?
C13A C12A C11B 128.8(19) . . ?
C13A C12A C13 42.7(16) . . ?
C13A C12A C11A 126(2) . . ?
C13A C12A H12C 66.7 . . ?
C13A C12A H12D 120.6 . . ?
C11A C12A C11B 4(3) . . ?
C11A C12A C13 111.9(17) . . ?
C11A C12A H12C 106.1 . . ?
C11A C12A H12D 112.2 . . ?
H12C C12A H12D 107.9 . . ?
C13 C14A C13A 36.6(11) . . ?
C13 C14A C15 109.2(13) . . ?
C13 C14A C15A 114.0(13) . . ?
C13 C14A H14E 75.6 . . ?
C13 C14A H14F 126.6 . . ?
C13A C14A H14E 112.1 . . ?
C13A C14A H14F 112.1 . . ?
C15 C14A C13A 113.0(14) . . ?
C15 C14A C15A 30.9(9) . . ?
C15 C14A H14E 81.3 . . ?
C15 C14A H14F 124.2 . . ?
C15A C14A C13A 98.2(14) . . ?
C15A C14A H14E 112.1 . . ?
C15A C14A H14F 112.1 . . ?
H14E C14A H14F 109.8 . . ?

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
Tb1 Cu1 O3 C18 -178.7(7) . . . . ?
Tb1 O2 C1 C2 -2.4(9) . . . . ?
Tb1 O2 C1 C6 176.7(5) . . . . ?
Tb1 O1 C2 C1 4.0(8) . . . . ?
Tb1 O1 C2 C3 -174.4(6) . . . . ?
Tb1 O3 C18 C17 -171.8(5) . . . . ?
Tb1 O3 C18 C19 10.2(10) . . . . ?
Tb1 O4 C19 C18 -10.2(8) . . . . ?
Tb1 O4 C19 C20 168.3(6) . . . . ?
Tb1 O11 N3 O12 -5.6(7) . . . . ?
Tb1 O11 N3 O13 172.4(8) . . . . ?
Tb1 O12 N3 O11 5.7(7) . . . . ?
Tb1 O12 N3 O13 -172.3(8) . . . . ?
Tb1 O5 N4 O6 0.9(8) . . . . ?
Tb1 O5 N4 O7 179.6(7) . . . . ?
Tb1 O6 N4 O5 -0.9(7) . . . . ?
Tb1 O6 N4 O7 -179.5(7) . . . . ?
Tb1 O8 N5 O9 4.3(7) . . . . ?
Tb1 O8 N5 O10 -177.1(7) . . . . ?
Tb1 O9 N5 O8 -4.4(8) . . . . ?
Tb1 O9 N5 O10 177.0(7) . . . . ?
Cu1 O2 C1 C2 151.9(5) . . . . ?
Cu1 O2 C1 C6 -29.0(9) . . . . ?
Cu1 O3 C18 C17 6.6(11) . . . . ?
Cu1 O3 C18 C19 -171.5(5) . . . . ?
Cu1 N1 C9 C6 3.9(12) . . . . ?
Cu1 N1 C10 C11B 164.6(12) . . . . ?
Cu1 N1 C10 C15 44.2(10) . . . . ?
Cu1 N1 C10 C15A 12.0(16) . . . . ?
Cu1 N1 C10 C10A 98(2) . . . . ?
Cu1 N1 C10 C11A 167(2) . . . . ?
Cu1 N1 C10A C10 -93(2) . . . . ?
Cu1 N1 C10A C11B -160.5(13) . . . . ?
Cu1 N1 C10A C15 -11(2) . . . . ?
Cu1 N1 C10A C15A -43.0(17) . . . . ?
Cu1 N1 C10A C11A -156(3) . . . . ?
Cu1 N2 C15 C10 41.5(10) . . . . ?
Cu1 N2 C15 C14B 144(2) . . . . ?
Cu1 N2 C15 C15A 92.8(15) . . . . ?
Cu1 N2 C15 C10A 12.0(17) . . . . ?
Cu1 N2 C15 C14A 159.6(9) . . . . ?
Cu1 N2 C15A C10 -17.7(19) . . . . ?
Cu1 N2 C15A C14B -171(3) . . . . ?
Cu1 N2 C15A C15 -99.0(14) . . . . ?
Cu1 N2 C15A C10A -46.8(14) . . . . ?
Cu1 N2 C15A C14A -162.4(12) . . . . ?
Cu1 N2 C16 C17 -7.1(15) . . . . ?
O2 Cu1 O3 Tb1 -2.7(2) . . . . ?
O2 Cu1 O3 C18 178.6(6) . . . . ?
O2 C1 C2 O1 -1.6(9) . . . . ?
O2 C1 C2 C3 176.8(7) . . . . ?
O2 C1 C6 C5 -176.7(7) . . . . ?
O2 C1 C6 C9 8.0(11) . . . . ?
O1 C2 C3 C4 178.7(7) . . . . ?
O3 C18 C19 O4 1.4(9) . . . . ?
O3 C18 C19 C20 -177.2(7) . . . . ?
O4 C19 C20 C21 179.6(7) . . . . ?
O14 Cu1 O3 Tb1 -95.5(2) . . . . ?
O14 Cu1 O3 C18 85.8(6) . . . . ?
N1 C10 C11B C12B -154.0(18) . . . . ?
N1 C10 C11B C10A -67.3(14) . . . . ?
N1 C10 C11B C12A -179.1(12) . . . . ?
N1 C10 C15 N2 -53.9(11) . . . . ?
N1 C10 C15 C14B -169(2) . . . . ?
N1 C10 C15 C15A -117.3(14) . . . . ?
N1 C10 C15 C10A 64.2(14) . . . . ?
N1 C10 C15 C14A -175.5(10) . . . . ?
N1 C10 C15A N2 4(2) . . . . ?
N1 C10 C15A C14B 159(2) . . . . ?
N1 C10 C15A C15 74.2(16) . . . . ?
N1 C10 C15A C10A 75.5(14) . . . . ?
N1 C10 C15A C14A 144.3(15) . . . . ?
N1 C10 C10A C11B 118.5(10) . . . . ?
N1 C10 C10A C15 -115.9(11) . . . . ?
N1 C10 C10A C15A -116.7(8) . . . . ?
N1 C10 C10A C11A 121.3(15) . . . . ?
N1 C10 C11A C12B -149(3) . . . . ?
N1 C10 C11A C10A -67.5(16) . . . . ?
N1 C10 C11A C12A -177(2) . . . . ?
N1 C10A C11A C10 63.4(19) . . . . ?
N1 C10A C11A C12B 174(3) . . . . ?
N1 C10A C11A C12A 147(3) . . . . ?
N2 Cu1 O3 Tb1 168.6(3) . . . . ?
N2 Cu1 O3 C18 -10.1(6) . . . . ?
N2 C15 C15A C10 -115.9(9) . . . . ?
N2 C15 C15A C14B 126(2) . . . . ?
N2 C15 C15A C10A -116.7(10) . . . . ?
N2 C15 C15A C14A 120.0(10) . . . . ?
N2 C15 C10A N1 0(2) . . . . ?
N2 C15 C10A C10 72(2) . . . . ?
N2 C15 C10A C11B 144.5(18) . . . . ?
N2 C15 C10A C15A 73.1(12) . . . . ?
N2 C15 C10A C11A 141(3) . . . . ?
N2 C15 C14A C13 -171.7(11) . . . . ?
N2 C15 C14A C13A -132.6(15) . . . . ?
N2 C15 C14A C15A -66.8(12) . . . . ?
N2 C15A C10A N1 56.1(18) . . . . ?
N2 C15A C10A C10 117.7(19) . . . . ?
N2 C15A C10A C11B 175.5(15) . . . . ?
N2 C15A C10A C15 -60.8(11) . . . . ?
N2 C15A C10A C11A 175(2) . . . . ?
N2 C15A C14A C13 150.3(14) . . . . ?
N2 C15A C14A C13A -175.2(16) . . . . ?
N2 C15A C14A C15 62.8(13) . . . . ?
N2 C16 C17 C18 0.1(15) . . . . ?
N2 C16 C17 C22 -178.7(9) . . . . ?
C1 C2 C3 C4 0.5(12) . . . . ?
C1 C6 C9 N1 6.5(13) . . . . ?
C2 C1 C6 C5 2.3(10) . . . . ?
C2 C1 C6 C9 -173.0(7) . . . . ?
C2 C3 C4 C5 1.3(12) . . . . ?
C2 C3 C4 C8 -178.8(8) . . . . ?
C3 C4 C5 C6 -1.3(13) . . . . ?
C4 C5 C6 C1 -0.5(12) . . . . ?
C4 C5 C6 C9 175.0(8) . . . . ?
C5 C6 C9 N1 -168.8(8) . . . . ?
C6 C1 C2 O1 179.3(6) . . . . ?
C6 C1 C2 C3 -2.3(11) . . . . ?
C7 O1 C2 C1 -171.6(7) . . . . ?
C7 O1 C2 C3 10.0(10) . . . . ?
C8 C4 C5 C6 178.8(8) . . . . ?
C9 N1 C10 C11B -23.3(17) . . . . ?
C9 N1 C10 C15 -143.7(9) . . . . ?
C9 N1 C10 C15A -176.0(14) . . . . ?
C9 N1 C10 C10A -90(2) . . . . ?
C9 N1 C10 C11A -21(3) . . . . ?
C9 N1 C10A C10 109.9(18) . . . . ?
C9 N1 C10A C11B 43(2) . . . . ?
C9 N1 C10A C15 -168.2(14) . . . . ?
C9 N1 C10A C15A 160.2(12) . . . . ?
C9 N1 C10A C11A 48(3) . . . . ?
C10 N1 C9 C6 -167.1(9) . . . . ?
C10 N1 C10A C11B -67(2) . . . . ?
C10 N1 C10A C15 82(2) . . . . ?
C10 N1 C10A C15A 50.3(13) . . . . ?
C10 N1 C10A C11A -62(3) . . . . ?
C10 C11B C12B C13 9(4) . . . . ?
C10 C11B C12B C13A -36(3) . . . . ?
C10 C11B C12B C11A -51(22) . . . . ?
C10 C11B C12B C12A -78(4) . . . . ?
C10 C11B C10A N1 66.0(14) . . . . ?
C10 C11B C10A C15 -80(2) . . . . ?
C10 C11B C10A C15A -47.1(14) . . . . ?
C10 C11B C10A C11A -37(28) . . . . ?
C10 C11B C12A C12B 110(4) . . . . ?
C10 C11B C12A C13 59(2) . . . . ?
C10 C11B C12A C13A 13(3) . . . . ?
C10 C11B C12A C11A -35(32) . . . . ?
C10 C15 C15A N2 115.9(9) . . . . ?
C10 C15 C15A C14B -118(3) . . . . ?
C10 C15 C15A C10A -0.8(10) . . . . ?
C10 C15 C15A C14A -124.1(11) . . . . ?
C10 C15 C10A N1 -72.2(14) . . . . ?
C10 C15 C10A C11B 73(3) . . . . ?
C10 C15 C10A C15A 1.3(18) . . . . ?
C10 C15 C10A C11A 69(3) . . . . ?
C10 C15 C14A C13 -57.1(14) . . . . ?
C10 C15 C14A C13A -18.0(18) . . . . ?
C10 C15 C14A C15A 47.9(14) . . . . ?
C10 C15A C10A N1 -61.6(11) . . . . ?
C10 C15A C10A C11B 58(2) . . . . ?
C10 C15A C10A C15 -178(2) . . . . ?
C10 C15A C10A C11A 57(2) . . . . ?
C10 C15A C14A C13 9(2) . . . . ?
C10 C15A C14A C13A 43(2) . . . . ?
C10 C15A C14A C15 -79(2) . . . . ?
C10 C10A C11A C12B 111(4) . . . . ?
C10 C10A C11A C12A 84(4) . . . . ?
C10 C11A C12A C11B 142(35) . . . . ?
C10 C11A C12A C12B 108(4) . . . . ?
C10 C11A C12A C13 55(4) . . . . ?
C10 C11A C12A C13A 9(5) . . . . ?
C11B C10 C15 N2 -175.3(10) . . . . ?
C11B C10 C15 C14B 69(2) . . . . ?
C11B C10 C15 C15A 121.2(15) . . . . ?
C11B C10 C15 C10A -57(2) . . . . ?
C11B C10 C15 C14A 63.1(14) . . . . ?
C11B C10 C15A N2 -145.4(16) . . . . ?
C11B C10 C15A C14B 10(3) . . . . ?
C11B C10 C15A C15 -74.9(18) . . . . ?
C11B C10 C15A C10A -74(2) . . . . ?
C11B C10 C15A C14A -5(3) . . . . ?
C11B C10 C10A N1 -118.5(10) . . . . ?
C11B C10 C10A C15 125.6(10) . . . . ?
C11B C10 C10A C15A 124.8(11) . . . . ?
C11B C10 C10A C11A 2.9(18) . . . . ?
C11B C10 C11A C12B -122(34) . . . . ?
C11B C10 C11A C10A -40(31) . . . . ?
C11B C10 C11A C12A -150(34) . . . . ?
C11B C12B C13 C13A -82(3) . . . . ?
C11B C12B C13 C14B -18(4) . . . . ?
C11B C12B C13 C12A -75(4) . . . . ?
C11B C12B C13 C14A -5(4) . . . . ?
C11B C12B C13A C13 118(3) . . . . ?
C11B C12B C13A C14B 63(4) . . . . ?
C11B C12B C13A C12A -53(3) . . . . ?
C11B C12B C13A C14A 74(3) . . . . ?
C11B C12B C11A C10 123(25) . . . . ?
C11B C12B C11A C10A 92(24) . . . . ?
C11B C12B C11A C12A -153(23) . . . . ?
C11B C12B C12A C13 122(2) . . . . ?
C11B C12B C12A C13A 128(2) . . . . ?
C11B C12B C12A C11A 2.0(17) . . . . ?
C11B C10A C11A C10 143(28) . . . . ?
C11B C10A C11A C12B -107(30) . . . . ?
C11B C10A C11A C12A -133(31) . . . . ?
C12B C11B C10A N1 169.9(18) . . . . ?
C12B C11B C10A C10 104(2) . . . . ?
C12B C11B C10A C15 24(3) . . . . ?
C12B C11B C10A C15A 57(2) . . . . ?
C12B C11B C10A C11A 67(27) . . . . ?
C12B C11B C12A C13 -51(3) . . . . ?
C12B C11B C12A C13A -97(4) . . . . ?
C12B C11B C12A C11A -146(33) . . . . ?
C12B C13 C13A C14B 120(2) . . . . ?
C12B C13 C13A C12A 4(2) . . . . ?
C12B C13 C13A C14A 126.1(17) . . . . ?
C12B C13 C14B C13A -68(2) . . . . ?
C12B C13 C14B C15 56(4) . . . . ?
C12B C13 C14B C15A 26(5) . . . . ?
C12B C13 C12A C11B 64(4) . . . . ?
C12B C13 C12A C13A -171(5) . . . . ?
C12B C13 C12A C11A 68(4) . . . . ?
C12B C13 C14A C13A -74(2) . . . . ?
C12B C13 C14A C15 30(3) . . . . ?
C12B C13 C14A C15A -3(3) . . . . ?
C12B C13A C14B C13 48.5(19) . . . . ?
C12B C13A C14B C15 -26(5) . . . . ?
C12B C13A C14B C15A -63(5) . . . . ?
C12B C13A C12A C11B 88(4) . . . . ?
C12B C13A C12A C13 8(4) . . . . ?
C12B C13A C12A C11A 91(4) . . . . ?
C12B C13A C14A C13 43.9(17) . . . . ?
C12B C13A C14A C15 -48(2) . . . . ?
C12B C13A C14A C15A -76(2) . . . . ?
C12B C11A C12A C11B 34(33) . . . . ?
C12B C11A C12A C13 -53(3) . . . . ?
C12B C11A C12A C13A -99(4) . . . . ?
C13 C12B C13A C14B -55(3) . . . . ?
C13 C12B C13A C12A -171(5) . . . . ?
C13 C12B C13A C14A -44.3(17) . . . . ?
C13 C12B C11A C10 1(6) . . . . ?
C13 C12B C11A C10A -30(5) . . . . ?
C13 C12B C11A C12A 85(3) . . . . ?
C13 C12B C12A C11B -122(2) . . . . ?
C13 C12B C12A C13A 6(3) . . . . ?
C13 C12B C12A C11A -120(2) . . . . ?
C13 C13A C14B C15 -75(4) . . . . ?
C13 C13A C14B C15A -112(4) . . . . ?
C13 C13A C12A C11B 80(3) . . . . ?
C13 C13A C12A C12B -8(4) . . . . ?
C13 C13A C12A C11A 83(4) . . . . ?
C13 C13A C14A C15 -92(2) . . . . ?
C13 C13A C14A C15A -120(2) . . . . ?
C13 C14B C15 N2 173.9(19) . . . . ?
C13 C14B C15 C10 -79(3) . . . . ?
C13 C14B C15 C15A -128(4) . . . . ?
C13 C14B C15 C10A -53(3) . . . . ?
C13 C14B C15 C14A 78(10) . . . . ?
C13 C14B C15A N2 132(3) . . . . ?
C13 C14B C15A C10 -21(5) . . . . ?
C13 C14B C15A C15 66(4) . . . . ?
C13 C14B C15A C10A 11(4) . . . . ?
C13 C14B C15A C14A 94(13) . . . . ?
C13A C12B C13 C14B 64(2) . . . . ?
C13A C12B C13 C12A 7(4) . . . . ?
C13A C12B C13 C14A 76(2) . . . . ?
C13A C12B C11A C10 -41(5) . . . . ?
C13A C12B C11A C10A -72(4) . . . . ?
C13A C12B C11A C12A 42(2) . . . . ?
C13A C12B C12A C11B -128(2) . . . . ?
C13A C12B C12A C13 -6(3) . . . . ?
C13A C12B C12A C11A -126(2) . . . . ?
C13A C13 C14B C15 125(3) . . . . ?
C13A C13 C14B C15A 94(4) . . . . ?
C13A C13 C12A C11B -124(3) . . . . ?
C13A C13 C12A C12B 171(5) . . . . ?
C13A C13 C12A C11A -120(3) . . . . ?
C13A C13 C14A C15 103(2) . . . . ?
C13A C13 C14A C15A 70(2) . . . . ?
C13A C14B C15 N2 -145(4) . . . . ?
C13A C14B C15 C10 -38(4) . . . . ?
C13A C14B C15 C15A -87(4) . . . . ?
C13A C14B C15 C10A -12(5) . . . . ?
C13A C14B C15 C14A 119(13) . . . . ?
C13A C14B C15A N2 179(2) . . . . ?
C13A C14B C15A C10 26(5) . . . . ?
C13A C14B C15A C15 113(4) . . . . ?
C13A C14B C15A C10A 58(4) . . . . ?
C13A C14B C15A C14A 141(15) . . . . ?
C14B C13 C13A C12B -120(2) . . . . ?
C14B C13 C13A C12A -117(2) . . . . ?
C14B C13 C13A C14A 5.7(18) . . . . ?
C14B C13 C12A C11B -65.5(19) . . . . ?
C14B C13 C12A C12B -130(4) . . . . ?
C14B C13 C12A C13A 59(2) . . . . ?
C14B C13 C12A C11A -62(3) . . . . ?
C14B C13 C14A C13A -22(5) . . . . ?
C14B C13 C14A C15 81(5) . . . . ?
C14B C13 C14A C15A 48(5) . . . . ?
C14B C13A C12A C11B 16(4) . . . . ?
C14B C13A C12A C12B -71(5) . . . . ?
C14B C13A C12A C13 -64(3) . . . . ?
C14B C13A C12A C11A 19(5) . . . . ?
C14B C13A C14A C13 152(9) . . . . ?
C14B C13A C14A C15 60(8) . . . . ?
C14B C13A C14A C15A 32(8) . . . . ?
C14B C15 C15A N2 -126(2) . . . . ?
C14B C15 C15A C10 118(3) . . . . ?
C14B C15 C15A C10A 117(3) . . . . ?
C14B C15 C15A C14A -6(3) . . . . ?
C14B C15 C10A N1 -132(3) . . . . ?
C14B C15 C10A C10 -60(3) . . . . ?
C14B C15 C10A C11B 12(3) . . . . ?
C14B C15 C10A C15A -59(3) . . . . ?
C14B C15 C10A C11A 9(4) . . . . ?
C14B C15 C14A C13 -81(11) . . . . ?
C14B C15 C14A C13A -42(10) . . . . ?
C14B C15 C14A C15A 23(11) . . . . ?
C14B C15A C10A N1 -172(2) . . . . ?
C14B C15A C10A C10 -110(3) . . . . ?
C14B C15A C10A C11B -52(3) . . . . ?
C14B C15A C10A C15 72(3) . . . . ?
C14B C15A C10A C11A -53(3) . . . . ?
C14B C15A C14A C13 -64(12) . . . . ?
C14B C15A C14A C13A -30(12) . . . . ?
C14B C15A C14A C15 -151(13) . . . . ?
C15 N2 C15A C10 81(2) . . . . ?
C15 N2 C15A C14B -72(3) . . . . ?
C15 N2 C15A C10A 52.2(14) . . . . ?
C15 N2 C15A C14A -63.3(17) . . . . ?
C15 N2 C16 C17 -168.2(9) . . . . ?
C15 C10 C11B C12B -38(2) . . . . ?
C15 C10 C11B C10A 49.2(14) . . . . ?
C15 C10 C11B C12A -62.6(18) . . . . ?
C15 C10 C15A N2 -70.5(14) . . . . ?
C15 C10 C15A C14B 85(3) . . . . ?
C15 C10 C15A C10A 1.3(18) . . . . ?
C15 C10 C15A C14A 70(2) . . . . ?
C15 C10 C10A N1 115.9(11) . . . . ?
C15 C10 C10A C11B -125.6(10) . . . . ?
C15 C10 C10A C15A -0.8(11) . . . . ?
C15 C10 C10A C11A -122.7(17) . . . . ?
C15 C10 C11A C12B -30(5) . . . . ?
C15 C10 C11A C10A 51.5(17) . . . . ?
C15 C10 C11A C12A -58(4) . . . . ?
C15 C14B C15A N2 66(2) . . . . ?
C15 C14B C15A C10 -87(2) . . . . ?
C15 C14B C15A C10A -55(2) . . . . ?
C15 C14B C15A C14A 27(12) . . . . ?
C15 C15A C10A N1 116.9(19) . . . . ?
C15 C15A C10A C10 178(2) . . . . ?
C15 C15A C10A C11B -123.7(16) . . . . ?
C15 C15A C10A C11A -125(2) . . . . ?
C15 C15A C14A C13 87.5(16) . . . . ?
C15 C15A C14A C13A 122.0(16) . . . . ?
C15 C10A C11A C10 -78(2) . . . . ?
C15 C10A C11A C12B 32(5) . . . . ?
C15 C10A C11A C12A 6(5) . . . . ?
C15A N2 C15 C10 -51.4(13) . . . . ?
C15A N2 C15 C14B 51(2) . . . . ?
C15A N2 C15 C10A -80.8(17) . . . . ?
C15A N2 C15 C14A 66.8(15) . . . . ?
C15A N2 C16 C17 153.7(13) . . . . ?
C15A C10 C11B C12B -4(3) . . . . ?
C15A C10 C11B C10A 82.9(16) . . . . ?
C15A C10 C11B C12A -29(3) . . . . ?
C15A C10 C15 N2 63.4(10) . . . . ?
C15A C10 C15 C14B -52(3) . . . . ?
C15A C10 C15 C10A -178(2) . . . . ?
C15A C10 C15 C14A -58.1(14) . . . . ?
C15A C10 C10A N1 116.7(8) . . . . ?
C15A C10 C10A C11B -124.8(11) . . . . ?
C15A C10 C10A C15 0.8(11) . . . . ?
C15A C10 C10A C11A -121.9(15) . . . . ?
C15A C10 C11A C12B 4(5) . . . . ?
C15A C10 C11A C10A 86(2) . . . . ?
C15A C10 C11A C12A -24(4) . . . . ?
C15A C14B C15 N2 -58(2) . . . . ?
C15A C14B C15 C10 48.9(18) . . . . ?
C15A C14B C15 C10A 75(2) . . . . ?
C15A C14B C15 C14A -154(12) . . . . ?
C15A C15 C10A N1 -73(2) . . . . ?
C15A C15 C10A C10 -1.3(18) . . . . ?
C15A C15 C10A C11B 71(2) . . . . ?
C15A C15 C10A C11A 68(3) . . . . ?
C15A C15 C14A C13 -104.9(15) . . . . ?
C15A C15 C14A C13A -65.8(17) . . . . ?
C15A C10A C11A C10 -47.6(15) . . . . ?
C15A C10A C11A C12B 63(4) . . . . ?
C15A C10A C11A C12A 36(4) . . . . ?
C16 N2 C15 C10 -155.1(10) . . . . ?
C16 N2 C15 C14B -53(2) . . . . ?
C16 N2 C15 C15A -103.7(16) . . . . ?
C16 N2 C15 C10A 175.4(15) . . . . ?
C16 N2 C15 C14A -36.9(15) . . . . ?
C16 N2 C15A C10 178.9(13) . . . . ?
C16 N2 C15A C14B 25(4) . . . . ?
C16 N2 C15A C15 97.5(17) . . . . ?
C16 N2 C15A C10A 149.7(12) . . . . ?
C16 N2 C15A C14A 34(2) . . . . ?
C16 C17 C18 O3 0.3(12) . . . . ?
C16 C17 C18 C19 178.3(7) . . . . ?
C16 C17 C22 C21 177.5(8) . . . . ?
C17 C18 C19 O4 -176.9(6) . . . . ?
C17 C18 C19 C20 4.6(11) . . . . ?
C18 C17 C22 C21 -1.3(12) . . . . ?
C18 C19 C20 C21 -2.0(12) . . . . ?
C19 C20 C21 C22 -2.3(12) . . . . ?
C19 C20 C21 C24 179.0(8) . . . . ?
C20 C21 C22 C17 3.9(12) . . . . ?
C22 C17 C18 O3 179.0(7) . . . . ?
C22 C17 C18 C19 -2.9(11) . . . . ?
C23 O4 C19 C18 -179.1(7) . . . . ?
C23 O4 C19 C20 -0.5(11) . . . . ?
C24 C21 C22 C17 -177.4(8) . . . . ?
C10A N1 C9 C6 157.4(14) . . . . ?
C10A N1 C10 C11B 67(3) . . . . ?
C10A N1 C10 C15 -53.7(18) . . . . ?
C10A N1 C10 C15A -85.9(19) . . . . ?
C10A N1 C10 C11A 69(3) . . . . ?
C10A C10 C11B C12B -87(2) . . . . ?
C10A C10 C11B C12A -112(2) . . . . ?
C10A C10 C15 N2 -118.1(18) . . . . ?
C10A C10 C15 C14B 126(3) . . . . ?
C10A C10 C15 C15A 178(2) . . . . ?
C10A C10 C15 C14A 120.4(17) . . . . ?
C10A C10 C15A N2 -72(2) . . . . ?
C10A C10 C15A C14B 83(3) . . . . ?
C10A C10 C15A C15 -1.3(18) . . . . ?
C10A C10 C15A C14A 69(2) . . . . ?
C10A C10 C11A C12B -82(4) . . . . ?
C10A C10 C11A C12A -109(3) . . . . ?
C10A C11B C12B C13 -21(4) . . . . ?
C10A C11B C12B C13A -66(3) . . . . ?
C10A C11B C12B C11A -82(22) . . . . ?
C10A C11B C12B C12A -108(4) . . . . ?
C10A C11B C12A C12B 81(4) . . . . ?
C10A C11B C12A C13 30(2) . . . . ?
C10A C11B C12A C13A -16(4) . . . . ?
C10A C11B C12A C11A -65(32) . . . . ?
C10A C15 C15A N2 116.7(10) . . . . ?
C10A C15 C15A C10 0.8(10) . . . . ?
C10A C15 C15A C14B -117(3) . . . . ?
C10A C15 C15A C14A -123.4(12) . . . . ?
C10A C15 C14A C13 -26.4(19) . . . . ?
C10A C15 C14A C13A 13(2) . . . . ?
C10A C15 C14A C15A 78.5(16) . . . . ?
C10A C15A C14A C13 38(2) . . . . ?
C10A C15A C14A C13A 72.7(18) . . . . ?
C10A C15A C14A C15 -49.3(17) . . . . ?
C10A C11A C12A C11B 110(35) . . . . ?
C10A C11A C12A C12B 76(5) . . . . ?
C10A C11A C12A C13 23(5) . . . . ?
C10A C11A C12A C13A -23(6) . . . . ?
C11A C10 C11B C12B 53(30) . . . . ?
C11A C10 C11B C10A 139(32) . . . . ?
C11A C10 C11B C12A 28(30) . . . . ?
C11A C10 C15 N2 -180(2) . . . . ?
C11A C10 C15 C14B 65(3) . . . . ?
C11A C10 C15 C15A 117(2) . . . . ?
C11A C10 C15 C10A -62(3) . . . . ?
C11A C10 C15 C14A 59(3) . . . . ?
C11A C10 C15A N2 -150(3) . . . . ?
C11A C10 C15A C14B 6(4) . . . . ?
C11A C10 C15A C15 -79(3) . . . . ?
C11A C10 C15A C10A -78(3) . . . . ?
C11A C10 C15A C14A -9(3) . . . . ?
C11A C10 C10A N1 -121.3(15) . . . . ?
C11A C10 C10A C11B -2.9(18) . . . . ?
C11A C10 C10A C15 122.8(17) . . . . ?
C11A C10 C10A C15A 121.9(15) . . . . ?
C11A C12B C13 C13A -77(4) . . . . ?
C11A C12B C13 C14B -14(4) . . . . ?
C11A C12B C13 C12A -70(4) . . . . ?
C11A C12B C13 C14A -1(5) . . . . ?
C11A C12B C13A C13 120(3) . . . . ?
C11A C12B C13A C14B 64(4) . . . . ?
C11A C12B C13A C12A -52(3) . . . . ?
C11A C12B C13A C14A 75(3) . . . . ?
C11A C12B C12A C11B -2.0(17) . . . . ?
C11A C12B C12A C13 120(2) . . . . ?
C11A C12B C12A C13A 126(2) . . . . ?
C12A C11B C12B C13 87(3) . . . . ?
C12A C11B C12B C13A 42(2) . . . . ?
C12A C11B C12B C11A 26(23) . . . . ?
C12A C11B C10A N1 144.1(17) . . . . ?
C12A C11B C10A C10 78(2) . . . . ?
C12A C11B C10A C15 -2(3) . . . . ?
C12A C11B C10A C15A 31(2) . . . . ?
C12A C11B C10A C11A 42(26) . . . . ?
C12A C12B C13 C13A -7(4) . . . . ?
C12A C12B C13 C14B 56(4) . . . . ?
C12A C12B C13 C14A 69(4) . . . . ?
C12A C12B C13A C13 171(5) . . . . ?
C12A C12B C13A C14B 116(4) . . . . ?
C12A C12B C13A C14A 127(4) . . . . ?
C12A C12B C11A C10 -84(5) . . . . ?
C12A C12B C11A C10A -115(5) . . . . ?
C12A C13 C13A C12B -4(2) . . . . ?
C12A C13 C13A C14B 117(2) . . . . ?
C12A C13 C13A C14A 122.3(16) . . . . ?
C12A C13 C14B C13A -47.1(18) . . . . ?
C12A C13 C14B C15 78(3) . . . . ?
C12A C13 C14B C15A 47(4) . . . . ?
C12A C13 C14A C13A -47.7(18) . . . . ?
C12A C13 C14A C15 55.4(17) . . . . ?
C12A C13 C14A C15A 22(2) . . . . ?
C12A C13A C14B C13 73(2) . . . . ?
C12A C13A C14B C15 -2(6) . . . . ?
C12A C13A C14B C15A -39(5) . . . . ?
C12A C13A C14A C13 65.9(19) . . . . ?
C12A C13A C14A C15 -26(3) . . . . ?
C12A C13A C14A C15A -54(3) . . . . ?
C14A C13 C13A C12B -126.1(17) . . . . ?
C14A C13 C13A C14B -5.7(18) . . . . ?
C14A C13 C13A C12A -122.3(16) . . . . ?
C14A C13 C14B C13A 157(6) . . . . ?
C14A C13 C14B C15 -78(5) . . . . ?
C14A C13 C14B C15A -109(6) . . . . ?
C14A C13 C12A C11B -58.9(19) . . . . ?
C14A C13 C12A C12B -123(4) . . . . ?
C14A C13 C12A C13A 65(2) . . . . ?
C14A C13 C12A C11A -55(3) . . . . ?
C14A C13A C14B C13 -26(9) . . . . ?
C14A C13A C14B C15 -101(11) . . . . ?
C14A C13A C14B C15A -138(12) . . . . ?
C14A C13A C12A C11B 28(4) . . . . ?
C14A C13A C12A C12B -59(4) . . . . ?
C14A C13A C12A C13 -51.7(19) . . . . ?
C14A C13A C12A C11A 32(4) . . . . ?
C14A C15 C15A N2 -120.0(10) . . . . ?
C14A C15 C15A C10 124.1(11) . . . . ?
C14A C15 C15A C14B 6(3) . . . . ?
C14A C15 C15A C10A 123.4(12) . . . . ?
C14A C15 C10A N1 -145.3(15) . . . . ?
C14A C15 C10A C10 -73.1(17) . . . . ?
C14A C15 C10A C11B 0(3) . . . . ?
C14A C15 C10A C15A -71.8(15) . . . . ?
C14A C15 C10A C11A -4(3) . . . . ?
C14A C15A C10A N1 174.2(14) . . . . ?
C14A C15A C10A C10 -124.2(16) . . . . ?
C14A C15A C10A C11B -66(2) . . . . ?
C14A C15A C10A C15 57.3(16) . . . . ?
C14A C15A C10A C11A -67(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_complex-5_apjg147
_database_code_depnum_ccdc_archive 'CCDC 2388326'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2024-12-15 deposited with the CCDC.	2024-12-24 downloaded from the CCDC.
;
_audit_creation_date             2024-12-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H40 Dy N3 O11 Zn'
_chemical_formula_sum            'C31 H40 Dy N3 O11 Zn'
_chemical_formula_weight         858.53
_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'
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'
Zn Zn 0.2839 1.4301 '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                   11.307(13)
_cell_length_b                   12.824(15)
_cell_length_c                   12.936(16)
_cell_angle_alpha                91.62(3)
_cell_angle_beta                 113.14(3)
_cell_angle_gamma                98.79(3)
_cell_volume                     1696(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    658
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      2.91
_cell_measurement_theta_min      25.22
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.563
_exptl_absorpt_coefficient_mu    2.954
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_correction_T_min  0.676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             862
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0149
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            87707
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.230
_diffrn_reflns_theta_min         2.041
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6939
_reflns_number_total             7565
_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       Apex-II
_computing_data_collection       Apex-II
_computing_data_reduction        Apex-II
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.481
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7565
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0290
_refine_ls_restrained_S_all      1.139
_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)+(0.0148P)²+4.9925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0698
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C28-C27 \\sim C28-C29
 with sigma of 0.01
 C27-C29 \\sim C27-C30 \\sim C29-C30
 with sigma of 0.02
 C28-C27 \\sim C28-C29 \\sim C28-C30 \\sim C28-C31 \\sim C28-C32
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C29) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C31) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C29)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: C31(0.6667) H31A(0.6667) H31B(0.6667) H31C(0.6667) C32(0.333333)
 H32A(0.333333) H32B(0.333333) H32C(0.333333)
5.a Ternary CH refined with riding coordinates:
 C10(H10), C15(H15)
5.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9), C16(H16), C20(H20), C22(H22)
5.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C),
 C26(H26A,H26B,H26C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,
 H31C), C32(H32A,H32B,H32C)
;
_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 0.30915(2) 0.20139(2) 0.61321(2) 0.02960(5) Uani 1 1 d . . . . .
Zn1 Zn 0.50488(4) 0.42020(3) 0.77089(3) 0.02581(8) Uani 1 1 d . . . . .
O2 O 0.4554(2) 0.34978(18) 0.61604(19) 0.0285(5) Uani 1 1 d . . . . .
O1 O 0.4405(2) 0.18438(18) 0.4949(2) 0.0320(5) Uani 1 1 d . . . . .
O3 O 0.3227(2) 0.33913(18) 0.7370(2) 0.0322(5) Uani 1 1 d . . . . .
O4 O 0.0992(2) 0.22044(19) 0.6474(2) 0.0335(5) Uani 1 1 d . . . . .
O6 O 0.1382(3) 0.1070(2) 0.4510(2) 0.0443(6) Uani 1 1 d . . . . .
O5 O 0.1783(3) 0.2790(2) 0.4500(2) 0.0406(6) Uani 1 1 d . . . . .
O9 O 0.2511(3) 0.0574(2) 0.7162(3) 0.0487(7) Uani 1 1 d . . . . .
O8 O 0.3474(3) 0.0167(2) 0.6111(2) 0.0418(6) Uani 1 1 d . . . . .
O7 O 0.3180(4) -0.0936(2) 0.7264(3) 0.0673(10) Uani 1 1 d . . . . .
O10 O 0.6268(3) 0.33480(19) 0.8740(2) 0.0358(5) Uani 1 1 d . . . . .
O11 O 0.4991(3) 0.1898(2) 0.7665(3) 0.0512(7) Uani 1 1 d . . . . .
N1 N 0.6096(3) 0.5473(2) 0.7320(2) 0.0274(6) Uani 1 1 d . . . . .
N2 N 0.4732(3) 0.5367(2) 0.8596(2) 0.0325(6) Uani 1 1 d . . . . .
N3 N 0.3057(4) -0.0093(2) 0.6859(3) 0.0459(8) Uani 1 1 d . . . . .
C1 C 0.5418(3) 0.3574(3) 0.5703(3) 0.0252(6) Uani 1 1 d . . . . .
C2 C 0.5378(3) 0.2684(3) 0.5021(3) 0.0279(6) Uani 1 1 d . . . . .
C3 C 0.6236(3) 0.2682(3) 0.4504(3) 0.0303(7) Uani 1 1 d . . . . .
H3 H 0.621464 0.206008 0.407572 0.036 Uiso 1 1 calc R U . . .
C4 C 0.7142(4) 0.3603(3) 0.4612(3) 0.0332(7) Uani 1 1 d . . . . .
C5 C 0.7162(3) 0.4490(3) 0.5248(3) 0.0316(7) Uani 1 1 d . . . . .
H5 H 0.775448 0.512103 0.530137 0.038 Uiso 1 1 calc R U . . .
C6 C 0.6334(3) 0.4489(3) 0.5817(3) 0.0268(6) Uani 1 1 d . . . . .
C7 C 0.4111(4) 0.0977(3) 0.4112(3) 0.0345(8) Uani 1 1 d . . . . .
H7A H 0.385591 0.123945 0.336417 0.052 Uiso 1 1 calc R U . . .
H7B H 0.339168 0.045024 0.412261 0.052 Uiso 1 1 calc R U . . .
H7C H 0.488587 0.064895 0.427576 0.052 Uiso 1 1 calc R U . . .
C8 C 0.8086(4) 0.3607(3) 0.4047(4) 0.0465(10) Uani 1 1 d . . . . .
H8A H 0.830683 0.432523 0.385742 0.070 Uiso 1 1 calc R U . . .
H8B H 0.768015 0.311956 0.335515 0.070 Uiso 1 1 calc R U . . .
H8C H 0.888310 0.338010 0.456178 0.070 Uiso 1 1 calc R U . . .
C9 C 0.6474(3) 0.5457(3) 0.6514(3) 0.0278(6) Uani 1 1 d . . . . .
H9 H 0.686689 0.610788 0.635654 0.033 Uiso 1 1 calc R U . . .
C10 C 0.6214(3) 0.6476(3) 0.7972(3) 0.0305(7) Uani 1 1 d . . . . .
H10 H 0.553004 0.686826 0.748617 0.037 Uiso 1 1 calc R U . . .
C11 C 0.7529(4) 0.7207(3) 0.8362(4) 0.0430(9) Uani 1 1 d . . . . .
H11A H 0.769501 0.742185 0.769512 0.052 Uiso 1 1 calc R U . . .
H11B H 0.822667 0.682197 0.881295 0.052 Uiso 1 1 calc R U . . .
C12 C 0.7577(5) 0.8197(3) 0.9076(4) 0.0490(10) Uani 1 1 d . . . . .
H12A H 0.846510 0.863106 0.936271 0.059 Uiso 1 1 calc R U . . .
H12B H 0.695444 0.862921 0.859871 0.059 Uiso 1 1 calc R U . . .
C13 C 0.7233(5) 0.7905(3) 1.0064(3) 0.0485(10) Uani 1 1 d . . . . .
H13A H 0.790769 0.753647 1.058193 0.058 Uiso 1 1 calc R U . . .
H13B H 0.722807 0.855847 1.048622 0.058 Uiso 1 1 calc R U . . .
C14 C 0.5911(4) 0.7194(3) 0.9670(3) 0.0393(8) Uani 1 1 d . . . . .
H14A H 0.522479 0.757334 0.918715 0.047 Uiso 1 1 calc R U . . .
H14B H 0.571770 0.700202 1.033063 0.047 Uiso 1 1 calc R U . . .
C15 C 0.5911(4) 0.6194(3) 0.9005(3) 0.0337(7) Uani 1 1 d . . . . .
H15 H 0.664598 0.586114 0.951253 0.040 Uiso 1 1 calc R U . . .
C16 C 0.3697(4) 0.5431(3) 0.8748(3) 0.0343(7) Uani 1 1 d . . . . .
H16 H 0.371215 0.603763 0.919543 0.041 Uiso 1 1 calc R U . . .
C17 C 0.2493(3) 0.4650(3) 0.8291(3) 0.0294(7) Uani 1 1 d . . . . .
C18 C 0.2303(3) 0.3718(3) 0.7606(3) 0.0280(6) Uani 1 1 d . . . . .
C19 C 0.1052(3) 0.3076(3) 0.7140(3) 0.0302(7) Uani 1 1 d . . . . .
C20 C 0.0035(3) 0.3331(3) 0.7362(3) 0.0380(8) Uani 1 1 d . . . . .
H20 H -0.080167 0.288920 0.703568 0.046 Uiso 1 1 calc R U . . .
C21 C 0.0232(4) 0.4247(4) 0.8074(3) 0.0437(9) Uani 1 1 d . . . . .
C22 C 0.1436(4) 0.4880(3) 0.8519(3) 0.0378(8) Uani 1 1 d . . . . .
H22 H 0.156602 0.549791 0.900018 0.045 Uiso 1 1 calc R U . . .
C23 C -0.0168(4) 0.1405(3) 0.6119(4) 0.0436(9) Uani 1 1 d . . . . .
H23A H -0.030224 0.116541 0.678400 0.065 Uiso 1 1 calc R U . . .
H23B H -0.006791 0.080222 0.569613 0.065 Uiso 1 1 calc R U . . .
H23C H -0.092430 0.170181 0.563507 0.065 Uiso 1 1 calc R U . . .
C24 C -0.0879(4) 0.4538(5) 0.8325(5) 0.080(2) Uani 1 1 d . . . . .
H24A H -0.060769 0.464827 0.914405 0.120 Uiso 1 1 calc R U . . .
H24B H -0.163750 0.396335 0.800617 0.120 Uiso 1 1 calc R U . . .
H24C H -0.111234 0.519130 0.798671 0.120 Uiso 1 1 calc R U . . .
C25 C 0.1115(4) 0.1893(3) 0.4029(3) 0.0384(8) Uani 1 1 d . . . . .
C26 C 0.0002(4) 0.1805(4) 0.2893(4) 0.0563(12) Uani 1 1 d . . . . .
H26A H 0.015667 0.135040 0.235433 0.084 Uiso 1 1 calc R U . . .
H26B H -0.006514 0.251147 0.262989 0.084 Uiso 1 1 calc R U . . .
H26C H -0.081440 0.149542 0.295257 0.084 Uiso 1 1 calc R U . . .
C27 C 0.6009(4) 0.2358(3) 0.8458(3) 0.0397(8) Uani 1 1 d D . . . .
C28 C 0.6998(4) 0.1668(3) 0.9090(4) 0.0610(14) Uani 1 1 d D . . . .
C29 C 0.7371(6) 0.1132(5) 0.8224(5) 0.0803(17) Uani 1 1 d D U . . .
H29A H 0.802723 0.069613 0.860352 0.120 Uiso 1 1 calc R U . . .
H29B H 0.773289 0.167423 0.785661 0.120 Uiso 1 1 calc R U . . .
H29C H 0.659365 0.068242 0.765450 0.120 Uiso 1 1 calc R U . . .
C30 C 0.6316(9) 0.0815(6) 0.9560(7) 0.124(3) Uani 1 1 d D U . . .
H30A H 0.605302 0.114761 1.010803 0.185 Uiso 1 1 calc R U . . .
H30B H 0.691519 0.033403 0.993291 0.185 Uiso 1 1 calc R U . . .
H30C H 0.554044 0.041468 0.894183 0.185 Uiso 1 1 calc R U . . .
C31 C 0.8319(9) 0.2359(7) 0.9840(11) 0.107(5) Uani 0.6667 1 d D U P A 1
H31A H 0.862497 0.282788 0.937584 0.161 Uiso 0.6667 1 calc R U P A 1
H31B H 0.896008 0.190315 1.019312 0.161 Uiso 0.6667 1 calc R U P A 1
H31C H 0.821443 0.278719 1.042730 0.161 Uiso 0.6667 1 calc R U P A 1
C32 C 0.779(2) 0.2133(17) 1.0306(9) 0.089(7) Uani 0.3333 1 d D U P A 2
H32A H 0.827091 0.284206 1.031710 0.134 Uiso 0.3333 1 calc R U P A 2
H32B H 0.841705 0.167501 1.069623 0.134 Uiso 0.3333 1 calc R U P A 2
H32C H 0.720689 0.218340 1.068955 0.134 Uiso 0.3333 1 calc R U 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 O2 2.312(3) . ?
Dy1 O1 2.542(3) . ?
Dy1 O3 2.296(3) . ?
Dy1 O4 2.625(4) . ?
Dy1 O6 2.357(3) . ?
Dy1 O5 2.398(3) . ?
Dy1 O9 2.464(3) . ?
Dy1 O8 2.473(4) . ?
Dy1 O11 2.310(4) . ?
Dy1 N3 2.885(4) . ?
Dy1 C25 2.741(5) . ?
Zn1 O2 2.001(3) . ?
Zn1 O3 2.032(3) . ?
Zn1 O10 1.995(3) . ?
Zn1 N1 2.058(3) . ?
Zn1 N2 2.016(3) . ?
O2 C1 1.320(4) . ?
O1 C2 1.390(4) . ?
O1 C7 1.434(4) . ?
O3 C18 1.317(4) . ?
O4 C19 1.369(4) . ?
O4 C23 1.439(4) . ?
O6 C25 1.257(5) . ?
O5 C25 1.264(5) . ?
O9 N3 1.264(4) . ?
O8 N3 1.264(4) . ?
O7 N3 1.219(5) . ?
O10 C27 1.268(5) . ?
O11 C27 1.247(5) . ?
N1 C9 1.273(4) . ?
N1 C10 1.478(4) . ?
N2 C15 1.471(5) . ?
N2 C16 1.275(5) . ?
C1 C2 1.406(4) . ?
C1 C6 1.404(5) . ?
C2 C3 1.379(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.404(5) . ?
C4 C5 1.376(5) . ?
C4 C8 1.512(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.400(5) . ?
C6 C9 1.464(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9 0.9500 . ?
C10 H10 1.0000 . ?
C10 C11 1.518(5) . ?
C10 C15 1.544(5) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.530(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.515(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.512(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.524(5) . ?
C15 H15 1.0000 . ?
C16 H16 0.9500 . ?
C16 C17 1.458(5) . ?
C17 C18 1.404(5) . ?
C17 C22 1.407(5) . ?
C18 C19 1.411(5) . ?
C19 C20 1.371(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.404(6) . ?
C21 C22 1.366(6) . ?
C21 C24 1.510(6) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.500(6) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.526(5) . ?
C28 C29 1.523(6) . ?
C28 C30 1.519(6) . ?
C28 C31 1.538(7) . ?
C28 C32 1.521(8) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 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
O2 Dy1 O1 63.03(9) . . ?
O2 Dy1 O4 120.67(10) . . ?
O2 Dy1 O6 126.01(11) . . ?
O2 Dy1 O5 79.02(11) . . ?
O2 Dy1 O9 147.78(10) . . ?
O2 Dy1 O8 125.30(11) . . ?
O2 Dy1 N3 140.34(11) . . ?
O2 Dy1 C25 103.26(12) . . ?
O1 Dy1 O4 155.35(8) . . ?
O1 Dy1 N3 97.68(10) . . ?
O1 Dy1 C25 81.26(14) . . ?
O3 Dy1 O2 67.28(10) . . ?
O3 Dy1 O1 130.11(9) . . ?
O3 Dy1 O4 61.82(9) . . ?
O3 Dy1 O6 133.71(11) . . ?
O3 Dy1 O5 93.68(13) . . ?
O3 Dy1 O9 96.68(13) . . ?
O3 Dy1 O8 140.53(10) . . ?
O3 Dy1 O11 78.01(12) . . ?
O3 Dy1 N3 118.43(12) . . ?
O3 Dy1 C25 114.92(13) . . ?
O4 Dy1 N3 91.66(10) . . ?
O4 Dy1 C25 74.16(13) . . ?
O6 Dy1 O1 82.25(13) . . ?
O6 Dy1 O4 76.84(12) . . ?
O6 Dy1 O5 54.70(12) . . ?
O6 Dy1 O9 85.57(14) . . ?
O6 Dy1 O8 73.44(12) . . ?
O6 Dy1 N3 80.51(13) . . ?
O6 Dy1 C25 27.25(11) . . ?
O5 Dy1 O1 81.38(13) . . ?
O5 Dy1 O4 75.95(11) . . ?
O5 Dy1 O9 131.51(12) . . ?
O5 Dy1 O8 124.28(11) . . ?
O5 Dy1 N3 135.04(11) . . ?
O5 Dy1 C25 27.46(11) . . ?
O9 Dy1 O1 123.50(10) . . ?
O9 Dy1 O4 68.01(10) . . ?
O9 Dy1 O8 51.51(10) . . ?
O9 Dy1 N3 25.83(9) . . ?
O9 Dy1 C25 108.90(13) . . ?
O8 Dy1 O1 72.17(9) . . ?
O8 Dy1 O4 113.26(9) . . ?
O8 Dy1 N3 25.85(9) . . ?
O8 Dy1 C25 99.08(12) . . ?
O11 Dy1 O2 75.60(12) . . ?
O11 Dy1 O1 85.76(15) . . ?
O11 Dy1 O4 118.88(13) . . ?
O11 Dy1 O6 144.68(11) . . ?
O11 Dy1 O5 154.57(10) . . ?
O11 Dy1 O9 73.72(13) . . ?
O11 Dy1 O8 71.27(11) . . ?
O11 Dy1 N3 68.32(11) . . ?
O11 Dy1 C25 165.80(11) . . ?
C25 Dy1 N3 107.65(12) . . ?
O2 Zn1 O3 78.56(10) . . ?
O2 Zn1 N1 88.89(12) . . ?
O2 Zn1 N2 144.50(12) . . ?
O3 Zn1 N1 144.65(11) . . ?
O10 Zn1 O2 104.62(12) . . ?
O10 Zn1 O3 105.30(13) . . ?
O10 Zn1 N1 109.83(14) . . ?
O10 Zn1 N2 110.80(14) . . ?
N2 Zn1 O3 89.80(13) . . ?
N2 Zn1 N1 81.48(14) . . ?
Zn1 O2 Dy1 101.30(11) . . ?
C1 O2 Dy1 127.9(2) . . ?
C1 O2 Zn1 120.1(2) . . ?
C2 O1 Dy1 118.81(19) . . ?
C2 O1 C7 117.1(3) . . ?
C7 O1 Dy1 123.8(2) . . ?
Zn1 O3 Dy1 100.88(11) . . ?
C18 O3 Dy1 130.0(2) . . ?
C18 O3 Zn1 127.5(2) . . ?
C19 O4 Dy1 117.7(2) . . ?
C19 O4 C23 117.2(3) . . ?
C23 O4 Dy1 124.7(2) . . ?
C25 O6 Dy1 93.6(2) . . ?
C25 O5 Dy1 91.5(2) . . ?
N3 O9 Dy1 96.0(2) . . ?
N3 O8 Dy1 95.6(2) . . ?
C27 O10 Zn1 115.9(2) . . ?
C27 O11 Dy1 148.6(3) . . ?
C9 N1 Zn1 125.3(2) . . ?
C9 N1 C10 121.4(3) . . ?
C10 N1 Zn1 112.7(2) . . ?
C15 N2 Zn1 107.4(2) . . ?
C16 N2 Zn1 128.1(3) . . ?
C16 N2 C15 124.5(3) . . ?
O9 N3 Dy1 58.16(19) . . ?
O9 N3 O8 116.1(3) . . ?
O8 N3 Dy1 58.54(17) . . ?
O7 N3 Dy1 172.6(3) . . ?
O7 N3 O9 122.2(4) . . ?
O7 N3 O8 121.7(3) . . ?
O2 C1 C2 117.2(3) . . ?
O2 C1 C6 124.6(3) . . ?
C6 C1 C2 118.2(3) . . ?
O1 C2 C1 112.6(3) . . ?
C3 C2 O1 125.7(3) . . ?
C3 C2 C1 121.8(3) . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 C8 120.1(3) . . ?
C5 C4 C3 119.0(3) . . ?
C5 C4 C8 121.0(3) . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.9(3) . . ?
C6 C5 H5 119.1 . . ?
C1 C6 C9 122.9(3) . . ?
C5 C6 C1 119.4(3) . . ?
C5 C6 C9 117.7(3) . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C6 123.4(3) . . ?
N1 C9 H9 118.3 . . ?
C6 C9 H9 118.3 . . ?
N1 C10 H10 108.0 . . ?
N1 C10 C11 115.3(3) . . ?
N1 C10 C15 107.7(3) . . ?
C11 C10 H10 108.0 . . ?
C11 C10 C15 109.6(3) . . ?
C15 C10 H10 108.0 . . ?
C10 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C10 C11 C12 111.4(4) . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C11 C12 H12A 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C13 C12 C11 111.2(3) . . ?
C13 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C12 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C14 C13 C12 111.4(3) . . ?
C14 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C13 C14 H14A 109.8 . . ?
C13 C14 H14B 109.8 . . ?
C13 C14 C15 109.4(3) . . ?
H14A C14 H14B 108.2 . . ?
C15 C14 H14A 109.8 . . ?
C15 C14 H14B 109.8 . . ?
N2 C15 C10 107.1(3) . . ?
N2 C15 C14 118.2(3) . . ?
N2 C15 H15 106.8 . . ?
C10 C15 H15 106.8 . . ?
C14 C15 C10 110.6(3) . . ?
C14 C15 H15 106.8 . . ?
N2 C16 H16 117.4 . . ?
N2 C16 C17 125.3(3) . . ?
C17 C16 H16 117.4 . . ?
C18 C17 C16 124.6(3) . . ?
C18 C17 C22 118.4(3) . . ?
C22 C17 C16 116.9(3) . . ?
O3 C18 C17 124.3(3) . . ?
O3 C18 C19 117.1(3) . . ?
C17 C18 C19 118.7(3) . . ?
O4 C19 C18 112.9(3) . . ?
O4 C19 C20 125.6(3) . . ?
C20 C19 C18 121.5(3) . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.9(4) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 C24 120.5(4) . . ?
C22 C21 C20 119.1(3) . . ?
C22 C21 C24 120.5(4) . . ?
C17 C22 H22 118.8 . . ?
C21 C22 C17 122.4(3) . . ?
C21 C22 H22 118.8 . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O6 C25 Dy1 59.1(2) . . ?
O6 C25 O5 120.1(4) . . ?
O6 C25 C26 119.6(4) . . ?
O5 C25 Dy1 61.0(2) . . ?
O5 C25 C26 120.2(4) . . ?
C26 C25 Dy1 178.0(3) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O10 C27 C28 119.4(3) . . ?
O11 C27 O10 124.1(3) . . ?
O11 C27 C28 116.5(3) . . ?
C27 C28 C31 110.6(4) . . ?
C29 C28 C27 107.1(4) . . ?
C29 C28 C31 100.4(7) . . ?
C30 C28 C27 107.7(4) . . ?
C30 C28 C29 108.4(4) . . ?
C30 C28 C31 121.6(7) . . ?
C30 C28 C32 86.7(11) . . ?
C32 C28 C27 110.9(10) . . ?
C32 C28 C29 132.1(12) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C28 C32 H32A 109.5 . . ?
C28 C32 H32B 109.5 . . ?
C28 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 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 O2 C1 C2 6.8(4) . . . . ?
Dy1 O2 C1 C6 -175.7(2) . . . . ?
Dy1 O1 C2 C1 -4.9(4) . . . . ?
Dy1 O1 C2 C3 174.7(3) . . . . ?
Dy1 O3 C18 C17 -172.4(2) . . . . ?
Dy1 O3 C18 C19 8.1(4) . . . . ?
Dy1 O4 C19 C18 -3.8(4) . . . . ?
Dy1 O4 C19 C20 176.5(3) . . . . ?
Dy1 O6 C25 O5 1.9(4) . . . . ?
Dy1 O6 C25 C26 -178.2(3) . . . . ?
Dy1 O5 C25 O6 -1.9(4) . . . . ?
Dy1 O5 C25 C26 178.2(3) . . . . ?
Dy1 O9 N3 O8 -8.6(4) . . . . ?
Dy1 O9 N3 O7 171.3(4) . . . . ?
Dy1 O8 N3 O9 8.5(4) . . . . ?
Dy1 O8 N3 O7 -171.3(4) . . . . ?
Dy1 O11 C27 O10 7.8(9) . . . . ?
Dy1 O11 C27 C28 -170.5(4) . . . . ?
Zn1 O2 C1 C2 144.3(2) . . . . ?
Zn1 O2 C1 C6 -38.2(4) . . . . ?
Zn1 O3 C18 C17 -9.7(5) . . . . ?
Zn1 O3 C18 C19 170.9(2) . . . . ?
Zn1 O10 C27 O11 -7.7(5) . . . . ?
Zn1 O10 C27 C28 170.5(3) . . . . ?
Zn1 N1 C9 C6 -6.9(5) . . . . ?
Zn1 N1 C10 C11 141.1(3) . . . . ?
Zn1 N1 C10 C15 18.4(3) . . . . ?
Zn1 N2 C15 C10 52.1(3) . . . . ?
Zn1 N2 C15 C14 177.8(3) . . . . ?
Zn1 N2 C16 C17 -0.3(6) . . . . ?
O2 C1 C2 O1 -0.4(4) . . . . ?
O2 C1 C2 C3 179.9(3) . . . . ?
O2 C1 C6 C5 -177.0(3) . . . . ?
O2 C1 C6 C9 3.2(5) . . . . ?
O1 C2 C3 C4 177.5(3) . . . . ?
O3 C18 C19 O4 -1.7(4) . . . . ?
O3 C18 C19 C20 178.1(3) . . . . ?
O4 C19 C20 C21 179.3(3) . . . . ?
O10 C27 C28 C29 -120.4(5) . . . . ?
O10 C27 C28 C30 123.2(5) . . . . ?
O10 C27 C28 C31 -11.9(8) . . . . ?
O10 C27 C28 C32 29.9(13) . . . . ?
O11 C27 C28 C29 58.0(6) . . . . ?
O11 C27 C28 C30 -58.4(6) . . . . ?
O11 C27 C28 C31 166.5(7) . . . . ?
O11 C27 C28 C32 -151.7(12) . . . . ?
N1 C10 C11 C12 -177.3(3) . . . . ?
N1 C10 C15 N2 -45.6(4) . . . . ?
N1 C10 C15 C14 -175.7(3) . . . . ?
N2 C16 C17 C18 -0.7(6) . . . . ?
N2 C16 C17 C22 -177.8(4) . . . . ?
C1 C2 C3 C4 -2.9(5) . . . . ?
C1 C6 C9 N1 21.9(5) . . . . ?
C2 C1 C6 C5 0.5(5) . . . . ?
C2 C1 C6 C9 -179.3(3) . . . . ?
C2 C3 C4 C5 0.7(5) . . . . ?
C2 C3 C4 C8 -180.0(3) . . . . ?
C3 C4 C5 C6 2.0(5) . . . . ?
C4 C5 C6 C1 -2.7(5) . . . . ?
C4 C5 C6 C9 177.2(3) . . . . ?
C5 C6 C9 N1 -157.9(3) . . . . ?
C6 C1 C2 O1 -178.1(3) . . . . ?
C6 C1 C2 C3 2.3(5) . . . . ?
C7 O1 C2 C1 168.4(3) . . . . ?
C7 O1 C2 C3 -12.0(5) . . . . ?
C8 C4 C5 C6 -177.2(3) . . . . ?
C9 N1 C10 C11 -47.0(4) . . . . ?
C9 N1 C10 C15 -169.8(3) . . . . ?
C10 N1 C9 C6 -177.7(3) . . . . ?
C10 C11 C12 C13 55.0(5) . . . . ?
C11 C10 C15 N2 -171.7(3) . . . . ?
C11 C10 C15 C14 58.2(4) . . . . ?
C11 C12 C13 C14 -56.2(5) . . . . ?
C12 C13 C14 C15 58.2(5) . . . . ?
C13 C14 C15 N2 176.8(3) . . . . ?
C13 C14 C15 C10 -59.3(4) . . . . ?
C15 N2 C16 C17 176.0(3) . . . . ?
C15 C10 C11 C12 -55.5(4) . . . . ?
C16 N2 C15 C10 -124.9(4) . . . . ?
C16 N2 C15 C14 0.8(5) . . . . ?
C16 C17 C18 O3 6.0(5) . . . . ?
C16 C17 C18 C19 -174.6(3) . . . . ?
C16 C17 C22 C21 175.4(4) . . . . ?
C17 C18 C19 O4 178.8(3) . . . . ?
C17 C18 C19 C20 -1.4(5) . . . . ?
C18 C17 C22 C21 -1.9(6) . . . . ?
C18 C19 C20 C21 -0.4(6) . . . . ?
C19 C20 C21 C22 1.1(6) . . . . ?
C19 C20 C21 C24 179.9(4) . . . . ?
C20 C21 C22 C17 0.1(6) . . . . ?
C22 C17 C18 O3 -176.9(3) . . . . ?
C22 C17 C18 C19 2.5(5) . . . . ?
C23 O4 C19 C18 169.5(3) . . . . ?
C23 O4 C19 C20 -10.2(5) . . . . ?
C24 C21 C22 C17 -178.8(4) . . . . ?

_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_complex-4_apjg67
_database_code_depnum_ccdc_archive 'CCDC 2388325'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2024-12-15 deposited with the CCDC.	2024-12-24 downloaded from the CCDC.
;
_audit_creation_date             2024-12-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H33 Dy N6 O13 Zn'
_chemical_formula_sum            'C29 H33 Dy N6 O13 Zn'
_chemical_formula_weight         901.48
_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'
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'
Zn Zn 0.2839 1.4301 '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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.7307(9)
_cell_length_b                   18.1757(15)
_cell_length_c                   15.7891(13)
_cell_angle_alpha                90
_cell_angle_beta                 94.240(3)
_cell_angle_gamma                90
_cell_volume                     3357.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    543
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.06
_cell_measurement_theta_min      2.98
_shelx_estimated_absorpt_T_max   0.890
_shelx_estimated_absorpt_T_min   0.586
_exptl_absorpt_coefficient_mu    2.997
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_unetI/netI     0.0139
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            79540
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.213
_diffrn_reflns_theta_min         2.588
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'photon 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8466
_reflns_number_total             9018
_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       Apex-II
_computing_data_collection       Apex-II
_computing_data_reduction        Apex-II
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.204
_refine_diff_density_min         -1.124
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         9018
_refine_ls_number_restraints     324
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0292
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0342P)²+9.0307P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0770
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C30B-C13A = C13A-C33B
 1.55 with sigma of 0.01
 C10A-C31B = C31B-C14A
 1.55 with sigma of 0.01
 C10A-C30B
 1.55 with sigma of 0.01
 C14A-C33B
 1.55 with sigma of 0.01
 C30A-C13B = C13B-C
 1.55 with sigma of 0.01
 C10B-C31A = C31A-C14B
 1.55 with sigma of 0.01
 C14B-C
 1.55 with sigma of 0.01
 C31B-C33B
 2.5 with sigma of 0.02
 C30B-C33B
 2.5 with sigma of 0.02
 C10B-C30A
 1.6 with sigma of 0.02
 C10A-C31A
 1.55 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C10B \\sim C30B \\sim C13B \\sim C33B \\sim C31B: within 1.7A with sigma of
0.02 and sigma for terminal atoms of 0.04 within 1.7A
C10B \\sim C30B \\sim C13B \\sim C14B \\sim C31B: within 1.7A with sigma of
0.02 and sigma for terminal atoms of 0.04 within 1.7A
C10B \\sim C10A \\sim C30B \\sim C30A \\sim C31B \\sim C31A \\sim C13B \\sim
C13A \\sim C33B \\sim C \\sim C14B \\sim C14A: within 1.7A with sigma of 0.02
and sigma for terminal atoms of 0.04 within 1.7A
C30A \\sim C30B \\sim C13A \\sim C13B \\sim C \\sim C33B \\sim C14B \\sim C14A
\\sim C31B \\sim C31A \\sim C10B \\sim C10A: within 1.7A with sigma of 0.004
and sigma for terminal atoms of 0.008 within 1.7A
Uanis(C10A) \\sim Ueq, Uanis(C10B) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C30A)
\\sim Ueq, Uanis(C13B) \\sim Ueq, Uanis(C13A) \\sim Ueq, Uanis(C31A) \\sim Ueq,
Uanis(C31B) \\sim Ueq, Uanis(C14A) \\sim Ueq, Uanis(C14B) \\sim Ueq,
Uanis(C33B) \\sim Ueq, Uanis(C) \\sim Ueq, Uanis(C30B) \\sim Ueq: with sigma of
0.05 and sigma for terminal atoms of 0.05
Uanis(C10B) \\sim Ueq, Uanis(C10A) \\sim Ueq, Uanis(C30B) \\sim Ueq,
Uanis(C30A) \\sim Ueq, Uanis(C13B) \\sim Ueq, Uanis(C13A) \\sim Ueq,
Uanis(C33B) \\sim Ueq, Uanis(C) \\sim Ueq, Uanis(C14B) \\sim Ueq, Uanis(C14A)
\\sim Ueq, Uanis(C31B) \\sim Ueq, Uanis(C31A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C30B, C10B, C31B, C33B, C13B
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C10B, C30B, C13B, C33B, C14B, C31B
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C10B, C10A, C30B, C30A, C13A, C13B, C33B, C, C14A, C14B, C31B, C31A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Fixed Sof: C23B(0.5) H23A(0.5) H23B(0.5) H23C(0.5) C23A(0.5) H23D(0.5)
 H23E(0.5) H23F(0.5) C13B(0.3) H13A(0.3) H13B(0.3) C10B(0.3) H10B(0.3)
 C30B(0.7) H30B(0.7) C31B(0.7) H31A(0.7) H31B(0.7) C33B(0.7) H33A(0.7)
 H33B(0.7) C14B(0.3) H14A(0.3) H14B(0.3) C30A(0.3) H30A(0.3) C10A(0.7)
 H10A(0.7) C13A(0.7) H13C(0.7) H13D(0.7) C(0.3) HA(0.3) HB(0.3) C14A(0.7)
 H14C(0.7) H14D(0.7) C31A(0.3) H31C(0.3) H31D(0.3)
 Fixed X: C14B(0.283589)
 Fixed Y: C14B(0.447129)
 Fixed Z: C14B(0.85401)
6.a Ternary CH refined with riding coordinates:
 C10B(H10B), C30B(H30B), C30A(H30A), C10A(H10A)
6.b Secondary CH2 refined with riding coordinates:
 C13B(H13A,H13B), C31B(H31A,H31B), C33B(H33A,H33B), C14B(H14A,H14B), C13A(H13C,
 H13D), C(HA,HB), C14A(H14C,H14D), C31A(H31C,H31D)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9), C16(H16), C20(H20), C22(H22), C25(H25), C26(H26),
 C27(H27), C28(H28), C29(H29)
6.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C24(H24A,H24B,H24C), C23B(H23A,H23B,H23C),
 C23A(H23D,H23E,H23F)
;
_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 0.44335(2) 0.77057(2) 0.47414(2) 0.01972(4) Uani 1 1 d . . . . .
Zn1 Zn 0.34637(3) 0.66205(2) 0.63071(2) 0.02296(7) Uani 1 1 d . . . . .
O1 O 0.3503(2) 0.67383(12) 0.34786(14) 0.0295(4) Uani 1 1 d . . . . .
O2 O 0.38893(18) 0.65329(11) 0.51056(12) 0.0232(4) Uani 1 1 d . . . . .
O3 O 0.43411(18) 0.75691(11) 0.61901(12) 0.0246(4) Uani 1 1 d . . . . .
O4 O 0.5284(2) 0.87971(12) 0.57950(13) 0.0343(5) Uani 1 1 d . . . . .
O5 O 0.57886(19) 0.70020(13) 0.39637(15) 0.0332(5) Uani 1 1 d . . . . .
O6 O 0.6448(2) 0.74241(14) 0.51782(15) 0.0352(5) Uani 1 1 d . . . . .
O7 O 0.7602(2) 0.6920(2) 0.4341(2) 0.0578(8) Uani 1 1 d . . . . .
O8 O 0.4117(2) 0.82119(14) 0.32957(15) 0.0362(5) Uani 1 1 d . . . . .
O9 O 0.5646(2) 0.85729(13) 0.40156(14) 0.0352(5) Uani 1 1 d . . . . .
O10 O 0.5249(3) 0.89773(14) 0.27257(16) 0.0493(7) Uani 1 1 d . . . . .
O11 O 0.2369(2) 0.77854(15) 0.45386(19) 0.0426(6) Uani 1 1 d . . . . .
O12 O 0.3240(2) 0.88117(15) 0.4774(2) 0.0475(7) Uani 1 1 d . . . . .
O13 O 0.1404(3) 0.8795(2) 0.4376(3) 0.0786(12) Uani 1 1 d . . . . .
N1 N 0.3636(3) 0.55080(15) 0.64619(18) 0.0395(7) Uani 1 1 d . U . . .
N2 N 0.3857(3) 0.66121(15) 0.75742(17) 0.0378(7) Uani 1 1 d . . . . .
N3 N 0.1770(2) 0.69046(14) 0.62466(16) 0.0280(5) Uani 1 1 d . . . . .
N4 N 0.6647(2) 0.71162(16) 0.44914(18) 0.0313(5) Uani 1 1 d . . . . .
N5 N 0.5000(3) 0.86006(14) 0.33239(16) 0.0312(6) Uani 1 1 d . . . . .
N6 N 0.2302(3) 0.8473(2) 0.4560(2) 0.0450(8) Uani 1 1 d . . . . .
C1 C 0.3653(2) 0.59333(15) 0.46379(17) 0.0217(5) Uani 1 1 d . . . . .
C2 C 0.3462(2) 0.60191(16) 0.37511(19) 0.0255(5) Uani 1 1 d . . . . .
C3 C 0.3263(3) 0.54206(18) 0.3219(2) 0.0335(7) Uani 1 1 d . . . . .
H3 H 0.313621 0.549790 0.262433 0.040 Uiso 1 1 calc R U . . .
C4 C 0.3247(3) 0.47056(18) 0.3540(2) 0.0343(7) Uani 1 1 d . . . . .
C5 C 0.3410(3) 0.46161(16) 0.4409(2) 0.0303(6) Uani 1 1 d . . . . .
H5 H 0.339728 0.413280 0.463690 0.036 Uiso 1 1 calc R U . . .
C6 C 0.3595(3) 0.52142(15) 0.49695(19) 0.0253(5) Uani 1 1 d . . . . .
C7 C 0.2719(3) 0.6919(2) 0.2766(2) 0.0386(8) Uani 1 1 d . . . . .
H7A H 0.194450 0.677005 0.288692 0.058 Uiso 1 1 calc R U . . .
H7B H 0.294244 0.665953 0.226025 0.058 Uiso 1 1 calc R U . . .
H7C H 0.273486 0.745093 0.266564 0.058 Uiso 1 1 calc R U . . .
C8 C 0.3015(4) 0.4050(2) 0.2964(3) 0.0506(10) Uani 1 1 d . . . . .
H8A H 0.219186 0.395241 0.290374 0.076 Uiso 1 1 calc R U . . .
H8B H 0.341590 0.361854 0.320989 0.076 Uiso 1 1 calc R U . . .
H8C H 0.328844 0.415486 0.240463 0.076 Uiso 1 1 calc R U . . .
C9 C 0.3722(3) 0.50402(17) 0.5873(2) 0.0370(7) Uani 1 1 d . . . . .
H9 H 0.387937 0.454423 0.603114 0.044 Uiso 1 1 calc R U . . .
C16 C 0.4230(3) 0.71518(18) 0.8031(2) 0.0354(7) Uani 1 1 d . . . . .
H16 H 0.432426 0.708051 0.862847 0.042 Uiso 1 1 calc R U . . .
C17 C 0.4522(3) 0.78670(16) 0.77009(17) 0.0242(5) Uani 1 1 d . . . . .
C18 C 0.4618(2) 0.80288(15) 0.68323(17) 0.0210(5) Uani 1 1 d . . . . .
C19 C 0.5066(2) 0.87203(15) 0.66373(17) 0.0231(5) Uani 1 1 d . . . . .
C20 C 0.5272(3) 0.92589(16) 0.72446(18) 0.0264(6) Uani 1 1 d . . . . .
H20 H 0.554297 0.972768 0.708426 0.032 Uiso 1 1 calc R U . . .
C21 C 0.5086(3) 0.91198(16) 0.80977(18) 0.0263(6) Uani 1 1 d . . . . .
C22 C 0.4761(3) 0.84202(17) 0.83088(18) 0.0263(6) Uani 1 1 d . . . . .
H22 H 0.469628 0.830653 0.889050 0.032 Uiso 1 1 calc R U . . .
C24 C 0.5270(3) 0.97135(18) 0.8761(2) 0.0363(7) Uani 1 1 d . . . . .
H24A H 0.606508 0.970004 0.900024 0.054 Uiso 1 1 calc R U . . .
H24B H 0.475684 0.963133 0.921386 0.054 Uiso 1 1 calc R U . . .
H24C H 0.510898 1.019503 0.849960 0.054 Uiso 1 1 calc R U . . .
C25 C 0.0996(3) 0.6560(2) 0.5719(2) 0.0353(7) Uani 1 1 d . . . . .
H25 H 0.125045 0.618308 0.536194 0.042 Uiso 1 1 calc R U . . .
C26 C -0.0153(3) 0.6729(2) 0.5672(2) 0.0378(7) Uani 1 1 d . . . . .
H26 H -0.067842 0.646928 0.529598 0.045 Uiso 1 1 calc R U . . .
C27 C -0.0525(3) 0.7284(2) 0.6182(3) 0.0415(8) Uani 1 1 d . . . . .
H27 H -0.130738 0.742488 0.614558 0.050 Uiso 1 1 calc R U . . .
C28 C 0.0262(3) 0.7634(2) 0.6753(3) 0.0432(8) Uani 1 1 d . . . . .
H28 H 0.002314 0.800626 0.712301 0.052 Uiso 1 1 calc R U . . .
C29 C 0.1400(3) 0.74274(19) 0.6767(3) 0.0376(7) Uani 1 1 d . . . . .
H29 H 0.193808 0.766196 0.715724 0.045 Uiso 1 1 calc R U . . .
C23B C 0.5677(11) 0.9513(5) 0.5580(6) 0.052(3) Uani 0.5 1 d . . P A 2
H23A H 0.587175 0.951595 0.498697 0.078 Uiso 0.5 1 calc R U P A 2
H23B H 0.635624 0.963926 0.595076 0.078 Uiso 0.5 1 calc R U P A 2
H23C H 0.507384 0.987519 0.565504 0.078 Uiso 0.5 1 calc R U P A 2
C23A C 0.6311(8) 0.9266(6) 0.5666(5) 0.044(2) Uani 0.5 1 d . . P A 1
H23D H 0.694906 0.911130 0.606118 0.065 Uiso 0.5 1 calc R U P A 1
H23E H 0.612802 0.978289 0.577205 0.065 Uiso 0.5 1 calc R U P A 1
H23F H 0.652456 0.921115 0.508121 0.065 Uiso 0.5 1 calc R U P A 1
C13B C 0.369(2) 0.5698(11) 0.8874(15) 0.0430(10) Uani 0.3 1 d . U P B 1
H13A H 0.451535 0.557064 0.895001 0.052 Uiso 0.3 1 calc R U P B 1
H13B H 0.354099 0.610908 0.926130 0.052 Uiso 0.3 1 calc R U P B 1
C10B C 0.3199(14) 0.5336(6) 0.7337(8) 0.0420(11) Uani 0.3 1 d D U P B -1
H10B H 0.239872 0.552583 0.734138 0.050 Uiso 0.3 1 calc R U P B -1
C30B C 0.3343(6) 0.5925(3) 0.7898(3) 0.0393(8) Uani 0.7 1 d D U P B 1
H30B H 0.249348 0.592785 0.778282 0.047 Uiso 0.7 1 calc R U P B 1
C31B C 0.3200(6) 0.4559(3) 0.7593(3) 0.0404(8) Uani 0.7 1 d . U P B -1
H31A H 0.397328 0.435021 0.755240 0.049 Uiso 0.7 1 calc R U P B -1
H31B H 0.266112 0.428016 0.720110 0.049 Uiso 0.7 1 calc R U P B -1
C33B C 0.2983(6) 0.5055(3) 0.9051(4) 0.0462(8) Uani 0.7 1 d D U P B 1
H33A H 0.217070 0.514756 0.886651 0.055 Uiso 0.7 1 calc R U P B 1
H33B H 0.304473 0.493725 0.966465 0.055 Uiso 0.7 1 calc R U P B 1
C14B C 0.283589 0.447129 0.854010 0.0479(11) Uani 0.3 1 d D U P B -1
H14A H 0.204394 0.464847 0.858165 0.057 Uiso 0.3 1 calc R U P B -1
H14B H 0.287523 0.394830 0.871498 0.057 Uiso 0.3 1 calc R U P B -1
C30A C 0.4006(12) 0.5837(6) 0.7967(7) 0.0373(10) Uani 0.3 1 d D U P B -1
H30A H 0.481988 0.567096 0.798651 0.045 Uiso 0.3 1 calc R U P B -1
C10A C 0.3900(6) 0.5302(3) 0.7369(3) 0.0406(8) Uani 0.7 1 d D U P B 1
H10A H 0.473277 0.542167 0.745612 0.049 Uiso 0.7 1 calc R U P B 1
C13A C 0.3554(9) 0.5815(4) 0.8826(6) 0.0432(9) Uani 0.7 1 d . U P B -1
H13C H 0.274156 0.596686 0.879664 0.052 Uiso 0.7 1 calc R U P B -1
H13D H 0.400084 0.614409 0.922479 0.052 Uiso 0.7 1 calc R U P B -1
C C 0.3698(12) 0.4946(7) 0.9126(7) 0.0466(11) Uani 0.3 1 d D U P B -1
HA H 0.449114 0.477835 0.906785 0.056 Uiso 0.3 1 calc R U P B -1
HB H 0.352759 0.489323 0.972756 0.056 Uiso 0.3 1 calc R U P B -1
C14A C 0.3467(6) 0.4426(3) 0.8534(4) 0.0480(9) Uani 0.7 1 d D U P B 1
H14C H 0.411733 0.421896 0.889244 0.058 Uiso 0.7 1 calc R U P B 1
H14D H 0.287045 0.403965 0.848960 0.058 Uiso 0.7 1 calc R U P B 1
C31A C 0.3864(15) 0.4508(5) 0.7683(8) 0.0446(11) Uani 0.3 1 d D U P B 1
H31C H 0.335612 0.422046 0.727935 0.054 Uiso 0.3 1 calc R U P B 1
H31D H 0.464135 0.429608 0.768091 0.054 Uiso 0.3 1 calc R U P B 1


_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 2.817(2) . ?
Dy1 O2 2.3102(19) . ?
Dy1 O3 2.311(2) . ?
Dy1 O4 2.730(2) . ?
Dy1 O5 2.441(2) . ?
Dy1 O6 2.467(2) . ?
Dy1 O8 2.464(2) . ?
Dy1 O9 2.462(2) . ?
Dy1 O11 2.424(3) . ?
Dy1 O12 2.452(3) . ?
Dy1 N5 2.884(3) . ?
Zn1 O2 2.0033(19) . ?
Zn1 O3 2.023(2) . ?
Zn1 N1 2.045(3) . ?
Zn1 N2 2.020(3) . ?
Zn1 N3 2.049(3) . ?
O1 C2 1.378(4) . ?
O1 C7 1.438(4) . ?
O2 C1 1.334(3) . ?
O3 C18 1.335(3) . ?
O4 C19 1.380(3) . ?
O4 C23B 1.430(8) . ?
O4 C23A 1.502(8) . ?
O5 N4 1.276(4) . ?
O6 N4 1.257(4) . ?
O7 N4 1.215(4) . ?
O8 N5 1.252(4) . ?
O9 N5 1.284(4) . ?
O10 N5 1.220(3) . ?
O11 N6 1.254(4) . ?
O12 N6 1.284(4) . ?
O13 N6 1.221(4) . ?
N1 C9 1.270(4) . ?
N1 C10B 1.541(13) . ?
N1 C10A 1.490(6) . ?
N2 C16 1.276(4) . ?
N2 C30B 1.494(6) . ?
N2 C30A 1.544(12) . ?
N3 C25 1.341(4) . ?
N3 C29 1.349(4) . ?
C1 C2 1.410(4) . ?
C1 C6 1.411(4) . ?
C2 C3 1.384(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.396(5) . ?
C4 C5 1.381(5) . ?
C4 C8 1.511(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.409(4) . ?
C6 C9 1.458(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9 0.9500 . ?
C16 H16 0.9500 . ?
C16 C17 1.451(4) . ?
C17 C18 1.415(4) . ?
C17 C22 1.404(4) . ?
C18 C19 1.405(4) . ?
C19 C20 1.379(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.403(4) . ?
C21 C22 1.376(4) . ?
C21 C24 1.508(4) . ?
C22 H22 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 0.9500 . ?
C25 C26 1.379(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.381(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.395(6) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(5) . ?
C29 H29 0.9500 . ?
C23B H23A 0.9800 . ?
C23B H23B 0.9800 . ?
C23B H23C 0.9800 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C13B H13A 0.9900 . ?
C13B H13B 0.9900 . ?
C13B C30B 1.62(2) . ?
C13B C33B 1.47(2) . ?
C13B C30A 1.53(3) . ?
C13B C 1.42(2) . ?
C10B H10B 1.0000 . ?
C10B C30B 1.391(12) . ?
C10B C31B 1.470(13) . ?
C10B C30A 1.604(14) . ?
C10B C10A 0.823(15) . ?
C10B C31A 1.763(18) . ?
C30B H30B 1.0000 . ?
C30B C30A 0.793(13) . ?
C30B C10A 1.577(6) . ?
C30B C13A 1.480(10) . ?
C31B H31A 0.9900 . ?
C31B H31B 0.9900 . ?
C31B C14B 1.593(5) . ?
C31B C10A 1.634(8) . ?
C31B C14A 1.516(8) . ?
C31B C31A 0.788(16) . ?
C33B H33A 0.9900 . ?
C33B H33B 0.9900 . ?
C33B C14B 1.336(6) . ?
C33B C13A 1.587(11) . ?
C33B C 0.861(14) . ?
C33B C14A 1.537(6) . ?
C14B H14A 0.9900 . ?
C14B H14B 0.9900 . ?
C14B C 1.576(9) . ?
C14B C14A 0.745(7) . ?
C14B C31A 1.879(14) . ?
C30A H30A 1.0000 . ?
C30A C10A 1.354(12) . ?
C30A C13A 1.492(16) . ?
C10A H10A 1.0000 . ?
C10A C31A 1.528(8) . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C13A C 1.655(15) . ?
C HA 0.9900 . ?
C HB 0.9900 . ?
C C14A 1.342(11) . ?
C14A H14C 0.9900 . ?
C14A H14D 0.9900 . ?
C14A C31A 1.462(14) . ?
C31A H31C 0.9900 . ?
C31A H31D 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
O1 Dy1 N5 84.38(7) . . ?
O2 Dy1 O1 60.03(7) . . ?
O2 Dy1 O3 67.69(7) . . ?
O2 Dy1 O4 127.88(7) . . ?
O2 Dy1 O5 81.02(8) . . ?
O2 Dy1 O6 90.90(8) . . ?
O2 Dy1 O8 123.35(8) . . ?
O2 Dy1 O9 152.42(8) . . ?
O2 Dy1 O11 78.24(8) . . ?
O2 Dy1 O12 125.62(9) . . ?
O2 Dy1 N5 142.88(7) . . ?
O3 Dy1 O1 126.10(7) . . ?
O3 Dy1 O4 61.10(7) . . ?
O3 Dy1 O5 121.43(8) . . ?
O3 Dy1 O6 79.34(8) . . ?
O3 Dy1 O8 160.42(8) . . ?
O3 Dy1 O9 126.90(7) . . ?
O3 Dy1 O11 91.01(9) . . ?
O3 Dy1 O12 89.92(9) . . ?
O3 Dy1 N5 149.21(7) . . ?
O4 Dy1 O1 171.82(6) . . ?
O4 Dy1 N5 88.19(7) . . ?
O5 Dy1 O1 63.23(7) . . ?
O5 Dy1 O4 117.72(8) . . ?
O5 Dy1 O6 52.10(8) . . ?
O5 Dy1 O8 77.81(8) . . ?
O5 Dy1 O9 71.41(9) . . ?
O5 Dy1 O12 146.52(10) . . ?
O5 Dy1 N5 73.10(8) . . ?
O6 Dy1 O1 112.43(8) . . ?
O6 Dy1 O4 71.40(8) . . ?
O6 Dy1 N5 93.62(8) . . ?
O8 Dy1 O1 63.47(7) . . ?
O8 Dy1 O4 108.46(7) . . ?
O8 Dy1 O6 114.36(8) . . ?
O8 Dy1 N5 25.56(8) . . ?
O9 Dy1 O1 106.09(7) . . ?
O9 Dy1 O4 67.72(7) . . ?
O9 Dy1 O6 71.84(8) . . ?
O9 Dy1 O8 51.86(8) . . ?
O9 Dy1 N5 26.30(8) . . ?
O11 Dy1 O1 67.21(8) . . ?
O11 Dy1 O4 110.71(9) . . ?
O11 Dy1 O5 130.26(9) . . ?
O11 Dy1 O6 167.66(9) . . ?
O11 Dy1 O8 76.97(9) . . ?
O11 Dy1 O9 120.42(9) . . ?
O11 Dy1 O12 52.23(9) . . ?
O11 Dy1 N5 98.57(9) . . ?
O12 Dy1 O1 109.55(8) . . ?
O12 Dy1 O4 64.84(9) . . ?
O12 Dy1 O6 134.50(9) . . ?
O12 Dy1 O8 70.49(10) . . ?
O12 Dy1 O9 80.52(10) . . ?
O12 Dy1 N5 73.65(9) . . ?
O2 Zn1 O3 79.47(8) . . ?
O2 Zn1 N1 90.30(10) . . ?
O2 Zn1 N2 151.99(12) . . ?
O2 Zn1 N3 106.54(10) . . ?
O3 Zn1 N1 143.80(12) . . ?
O3 Zn1 N3 106.21(10) . . ?
N1 Zn1 N3 109.99(13) . . ?
N2 Zn1 O3 90.95(10) . . ?
N2 Zn1 N1 82.00(11) . . ?
N2 Zn1 N3 101.40(12) . . ?
C2 O1 Dy1 113.06(16) . . ?
C2 O1 C7 115.2(2) . . ?
C7 O1 Dy1 127.1(2) . . ?
Zn1 O2 Dy1 104.78(8) . . ?
C1 O2 Dy1 131.75(17) . . ?
C1 O2 Zn1 122.23(17) . . ?
Zn1 O3 Dy1 104.08(8) . . ?
C18 O3 Dy1 131.11(17) . . ?
C18 O3 Zn1 124.12(17) . . ?
C19 O4 Dy1 115.38(16) . . ?
C19 O4 C23B 114.0(4) . . ?
C19 O4 C23A 113.3(4) . . ?
C23B O4 Dy1 128.8(4) . . ?
C23A O4 Dy1 126.2(4) . . ?
N4 O5 Dy1 95.63(18) . . ?
N4 O6 Dy1 94.92(17) . . ?
N5 O8 Dy1 96.32(17) . . ?
N5 O9 Dy1 95.51(18) . . ?
N6 O11 Dy1 96.9(2) . . ?
N6 O12 Dy1 94.7(2) . . ?
C9 N1 Zn1 126.0(2) . . ?
C9 N1 C10B 124.8(5) . . ?
C9 N1 C10A 120.9(3) . . ?
C10B N1 Zn1 105.7(5) . . ?
C10A N1 Zn1 112.0(2) . . ?
C10A N1 C10B 31.5(5) . . ?
C16 N2 Zn1 126.7(2) . . ?
C16 N2 C30B 125.4(3) . . ?
C16 N2 C30A 116.8(5) . . ?
C30B N2 Zn1 106.1(3) . . ?
C30B N2 C30A 30.2(5) . . ?
C30A N2 Zn1 114.6(4) . . ?
C25 N3 Zn1 121.4(2) . . ?
C25 N3 C29 118.3(3) . . ?
C29 N3 Zn1 120.3(2) . . ?
O6 N4 O5 116.6(2) . . ?
O7 N4 O5 121.3(3) . . ?
O7 N4 O6 122.1(3) . . ?
O8 N5 Dy1 58.12(14) . . ?
O8 N5 O9 116.3(2) . . ?
O9 N5 Dy1 58.19(15) . . ?
O10 N5 Dy1 179.4(3) . . ?
O10 N5 O8 122.3(3) . . ?
O10 N5 O9 121.4(3) . . ?
O11 N6 O12 115.5(3) . . ?
O13 N6 O11 121.8(4) . . ?
O13 N6 O12 122.7(4) . . ?
O2 C1 C2 118.1(2) . . ?
O2 C1 C6 124.4(2) . . ?
C2 C1 C6 117.5(3) . . ?
O1 C2 C1 114.1(2) . . ?
O1 C2 C3 124.4(3) . . ?
C3 C2 C1 121.6(3) . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.2(3) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 C8 121.5(3) . . ?
C5 C4 C3 117.8(3) . . ?
C5 C4 C8 120.7(3) . . ?
C4 C5 H5 118.8 . . ?
C4 C5 C6 122.5(3) . . ?
C6 C5 H5 118.8 . . ?
C1 C6 C9 124.0(3) . . ?
C5 C6 C1 119.4(3) . . ?
C5 C6 C9 116.6(3) . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C6 124.3(3) . . ?
N1 C9 H9 117.9 . . ?
C6 C9 H9 117.9 . . ?
N2 C16 H16 117.8 . . ?
N2 C16 C17 124.4(3) . . ?
C17 C16 H16 117.8 . . ?
C18 C17 C16 124.9(3) . . ?
C22 C17 C16 115.9(3) . . ?
C22 C17 C18 119.2(3) . . ?
O3 C18 C17 125.0(2) . . ?
O3 C18 C19 117.9(2) . . ?
C19 C18 C17 117.1(2) . . ?
O4 C19 C18 113.6(2) . . ?
C20 C19 O4 124.3(3) . . ?
C20 C19 C18 122.1(2) . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.5(3) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C24 120.9(3) . . ?
C22 C21 C20 117.7(3) . . ?
C22 C21 C24 121.4(3) . . ?
C17 C22 H22 118.6 . . ?
C21 C22 C17 122.8(3) . . ?
C21 C22 H22 118.6 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C25 H25 118.5 . . ?
N3 C25 C26 122.9(3) . . ?
C26 C25 H25 118.5 . . ?
C25 C26 H26 120.6 . . ?
C25 C26 C27 118.8(3) . . ?
C27 C26 H26 120.6 . . ?
C26 C27 H27 120.5 . . ?
C26 C27 C28 119.1(3) . . ?
C28 C27 H27 120.5 . . ?
C27 C28 H28 120.7 . . ?
C29 C28 C27 118.6(4) . . ?
C29 C28 H28 120.7 . . ?
N3 C29 C28 122.3(3) . . ?
N3 C29 H29 118.9 . . ?
C28 C29 H29 118.9 . . ?
O4 C23B H23A 109.5 . . ?
O4 C23B H23B 109.5 . . ?
O4 C23B H23C 109.5 . . ?
H23A C23B H23B 109.5 . . ?
H23A C23B H23C 109.5 . . ?
H23B C23B H23C 109.5 . . ?
O4 C23A H23D 109.5 . . ?
O4 C23A H23E 109.5 . . ?
O4 C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
H13A C13B H13B 108.7 . . ?
C30B C13B H13A 110.5 . . ?
C30B C13B H13B 110.5 . . ?
C33B C13B H13A 110.5 . . ?
C33B C13B H13B 110.5 . . ?
C33B C13B C30B 105.9(16) . . ?
C33B C13B C30A 119.1(17) . . ?
C30A C13B H13A 81.6 . . ?
C30A C13B H13B 121.5 . . ?
C30A C13B C30B 29.0(7) . . ?
C C13B H13A 76.0 . . ?
C C13B H13B 123.3 . . ?
C C13B C30B 120.4(17) . . ?
C C13B C33B 34.5(8) . . ?
C C13B C30A 115.1(16) . . ?
N1 C10B H10B 108.1 . . ?
N1 C10B C30A 102.7(9) . . ?
N1 C10B C31A 106.3(9) . . ?
C30B C10B N1 112.5(8) . . ?
C30B C10B H10B 78.5 . . ?
C30B C10B C31B 124.5(9) . . ?
C30B C10B C30A 29.6(5) . . ?
C30B C10B C31A 115.3(10) . . ?
C31B C10B N1 116.6(9) . . ?
C31B C10B H10B 108.1 . . ?
C31B C10B C30A 112.7(10) . . ?
C31B C10B C31A 26.2(6) . . ?
C30A C10B H10B 108.1 . . ?
C30A C10B C31A 93.7(10) . . ?
C10A C10B N1 70.8(11) . . ?
C10A C10B H10B 163.7 . . ?
C10A C10B C30B 86.8(10) . . ?
C10A C10B C31B 86.0(12) . . ?
C10A C10B C30A 57.5(9) . . ?
C10A C10B C31A 60.0(10) . . ?
C31A C10B H10B 133.3 . . ?
N2 C30B C13B 117.3(10) . . ?
N2 C30B H30B 110.8 . . ?
N2 C30B C10A 103.0(4) . . ?
C13B C30B H30B 110.8 . . ?
C10B C30B N2 117.3(6) . . ?
C10B C30B C13B 114.9(9) . . ?
C10B C30B H30B 79.4 . . ?
C10B C30B C10A 31.4(6) . . ?
C10B C30B C13A 122.0(7) . . ?
C30A C30B N2 78.4(10) . . ?
C30A C30B C13B 68.9(13) . . ?
C30A C30B C10B 90.3(10) . . ?
C30A C30B H30B 168.5 . . ?
C30A C30B C10A 59.2(9) . . ?
C30A C30B C13A 75.3(11) . . ?
C10A C30B C13B 103.7(8) . . ?
C10A C30B H30B 110.8 . . ?
C13A C30B N2 114.1(5) . . ?
C13A C30B C13B 8.9(10) . . ?
C13A C30B H30B 105.8 . . ?
C13A C30B C10A 112.5(5) . . ?
C10B C31B H31A 109.4 . . ?
C10B C31B H31B 109.4 . . ?
C10B C31B C14B 111.0(6) . . ?
C10B C31B C10A 30.2(6) . . ?
C10B C31B C14A 114.7(6) . . ?
H31A C31B H31B 108.0 . . ?
C14B C31B H31A 109.4 . . ?
C14B C31B H31B 109.4 . . ?
C14B C31B C10A 117.4(4) . . ?
C10A C31B H31A 79.9 . . ?
C10A C31B H31B 126.6 . . ?
C14A C31B H31A 83.0 . . ?
C14A C31B H31B 127.4 . . ?
C14A C31B C14B 27.6(3) . . ?
C14A C31B C10A 105.9(5) . . ?
C31A C31B C10B 98.2(11) . . ?
C31A C31B H31A 21.1 . . ?
C31A C31B H31B 129.1 . . ?
C31A C31B C14B 98.5(11) . . ?
C31A C31B C10A 68.2(8) . . ?
C31A C31B C14A 71.0(11) . . ?
C13B C33B H33A 110.8 . . ?
C13B C33B H33B 110.8 . . ?
C13B C33B C13A 9.4(11) . . ?
C13B C33B C14A 104.7(10) . . ?
H33A C33B H33B 108.9 . . ?
C14B C33B C13B 124.4(10) . . ?
C14B C33B H33A 83.0 . . ?
C14B C33B H33B 114.6 . . ?
C14B C33B C13A 126.4(5) . . ?
C14B C33B C14A 29.0(3) . . ?
C13A C33B H33A 101.5 . . ?
C13A C33B H33B 114.0 . . ?
C C33B C13B 69.5(12) . . ?
C C33B H33A 170.3 . . ?
C C33B H33B 79.4 . . ?
C C33B C14B 88.9(8) . . ?
C C33B C13A 79.0(10) . . ?
C C33B C14A 60.5(8) . . ?
C14A C33B H33A 110.8 . . ?
C14A C33B H33B 110.8 . . ?
C14A C33B C13A 110.5(5) . . ?
C31B C14B H14A 110.3 . . ?
C31B C14B H14B 110.3 . . ?
C31B C14B C31A 24.5(5) . . ?
C33B C14B C31B 117.1(3) . . ?
C33B C14B H14A 77.4 . . ?
C33B C14B H14B 126.4 . . ?
C33B C14B C 33.1(6) . . ?
C33B C14B C31A 110.2(5) . . ?
H14A C14B H14B 108.6 . . ?
C C14B C31B 106.9(6) . . ?
C C14B H14A 110.3 . . ?
C C14B H14B 110.3 . . ?
C C14B C31A 89.1(7) . . ?
C14A C14B C31B 70.4(5) . . ?
C14A C14B C33B 90.6(5) . . ?
C14A C14B H14A 167.0 . . ?
C14A C14B H14B 82.6 . . ?
C14A C14B C 58.2(7) . . ?
C14A C14B C31A 45.9(7) . . ?
C31A C14B H14A 133.8 . . ?
C31A C14B H14B 102.5 . . ?
N2 C30A C10B 103.0(8) . . ?
N2 C30A H30A 111.5 . . ?
C13B C30A N2 120.0(11) . . ?
C13B C30A C10B 108.5(13) . . ?
C13B C30A H30A 102.5 . . ?
C10B C30A H30A 111.5 . . ?
C30B C30A N2 71.4(9) . . ?
C30B C30A C13B 82.0(15) . . ?
C30B C30A C10B 60.1(10) . . ?
C30B C30A H30A 171.6 . . ?
C30B C30A C10A 90.6(11) . . ?
C30B C30A C13A 73.7(11) . . ?
C10A C30A N2 111.9(8) . . ?
C10A C30A C13B 121.4(12) . . ?
C10A C30A C10B 30.9(6) . . ?
C10A C30A H30A 81.0 . . ?
C10A C30A C13A 126.5(9) . . ?
C13A C30A N2 110.6(8) . . ?
C13A C30A C13B 10.4(9) . . ?
C13A C30A C10B 108.4(10) . . ?
C13A C30A H30A 111.5 . . ?
N1 C10A C30B 105.3(4) . . ?
N1 C10A C31B 110.1(4) . . ?
N1 C10A H10A 102.1 . . ?
N1 C10A C31A 122.7(6) . . ?
C10B C10A N1 77.7(10) . . ?
C10B C10A C30B 61.8(9) . . ?
C10B C10A C31B 63.8(10) . . ?
C10B C10A C30A 91.6(10) . . ?
C10B C10A H10A 162.6 . . ?
C10B C10A C31A 92.2(12) . . ?
C30B C10A C31B 104.1(4) . . ?
C30B C10A H10A 102.1 . . ?
C31B C10A H10A 130.6 . . ?
C30A C10A N1 119.5(6) . . ?
C30A C10A C30B 30.2(6) . . ?
C30A C10A C31B 117.6(6) . . ?
C30A C10A H10A 73.2 . . ?
C30A C10A C31A 117.0(8) . . ?
C31A C10A C30B 118.9(6) . . ?
C31A C10A C31B 28.6(6) . . ?
C31A C10A H10A 102.1 . . ?
C30B C13A C33B 107.2(7) . . ?
C30B C13A C30A 30.9(5) . . ?
C30B C13A H13C 80.0 . . ?
C30B C13A H13D 126.2 . . ?
C30B C13A C 114.7(7) . . ?
C33B C13A H13C 80.3 . . ?
C33B C13A H13D 126.5 . . ?
C33B C13A C 30.7(5) . . ?
C30A C13A C33B 114.2(8) . . ?
C30A C13A H13C 110.9 . . ?
C30A C13A H13D 110.9 . . ?
C30A C13A C 104.5(8) . . ?
H13C C13A H13D 108.9 . . ?
C C13A H13C 110.9 . . ?
C C13A H13D 110.9 . . ?
C13B C C14B 111.9(13) . . ?
C13B C C13A 5.6(14) . . ?
C13B C HA 104.7 . . ?
C13B C HB 111.4 . . ?
C33B C C13B 76.0(15) . . ?
C33B C C14B 58.0(6) . . ?
C33B C C13A 70.3(10) . . ?
C33B C HA 166.1 . . ?
C33B C HB 83.7 . . ?
C33B C C14A 85.5(8) . . ?
C14B C C13A 107.9(8) . . ?
C14B C HA 110.1 . . ?
C14B C HB 110.1 . . ?
C13A C HA 110.1 . . ?
C13A C HB 110.1 . . ?
HA C HB 108.4 . . ?
C14A C C13B 119.1(13) . . ?
C14A C C14B 28.2(3) . . ?
C14A C C13A 117.5(9) . . ?
C14A C HA 82.1 . . ?
C14A C HB 123.7 . . ?
C31B C14A C33B 110.1(5) . . ?
C31B C14A H14C 135.7 . . ?
C31B C14A H14D 87.1 . . ?
C33B C14A H14C 106.2 . . ?
C33B C14A H14D 106.2 . . ?
C14B C14A C31B 82.0(6) . . ?
C14B C14A C33B 60.4(4) . . ?
C14B C14A C 93.6(8) . . ?
C14B C14A H14C 139.4 . . ?
C14B C14A H14D 51.8 . . ?
C14B C14A C31A 112.6(9) . . ?
C C14A C31B 125.9(7) . . ?
C C14A C33B 33.9(6) . . ?
C C14A H14C 76.3 . . ?
C C14A H14D 130.9 . . ?
C C14A C31A 120.4(9) . . ?
H14C C14A H14D 106.4 . . ?
C31A C14A C31B 30.6(6) . . ?
C31A C14A C33B 124.5(6) . . ?
C31A C14A H14C 106.2 . . ?
C31A C14A H14D 106.2 . . ?
C10B C31A C14B 87.7(8) . . ?
C10B C31A H31C 91.1 . . ?
C10B C31A H31D 135.9 . . ?
C31B C31A C10B 55.6(9) . . ?
C31B C31A C14B 57.0(10) . . ?
C31B C31A C10A 83.2(9) . . ?
C31B C31A C14A 78.4(12) . . ?
C31B C31A H31C 53.4 . . ?
C31B C31A H31D 160.7 . . ?
C14B C31A H31C 93.2 . . ?
C14B C31A H31D 129.0 . . ?
C10A C31A C10B 27.8(5) . . ?
C10A C31A C14B 107.6(8) . . ?
C10A C31A H31C 108.6 . . ?
C10A C31A H31D 108.6 . . ?
C14A C31A C10B 102.0(9) . . ?
C14A C31A C14B 21.5(4) . . ?
C14A C31A C10A 114.5(8) . . ?
C14A C31A H31C 108.6 . . ?
C14A C31A H31D 108.6 . . ?
H31C C31A H31D 107.6 . . ?

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 O1 C2 C1 13.0(3) . . . . ?
Dy1 O1 C2 C3 -166.5(3) . . . . ?
Dy1 O2 C1 C2 -15.0(4) . . . . ?
Dy1 O2 C1 C6 164.3(2) . . . . ?
Dy1 O3 C18 C17 -179.6(2) . . . . ?
Dy1 O3 C18 C19 -1.2(4) . . . . ?
Dy1 O4 C19 C18 10.6(3) . . . . ?
Dy1 O4 C19 C20 -170.1(2) . . . . ?
Dy1 O5 N4 O6 8.4(3) . . . . ?
Dy1 O5 N4 O7 -173.3(3) . . . . ?
Dy1 O6 N4 O5 -8.3(3) . . . . ?
Dy1 O6 N4 O7 173.4(3) . . . . ?
Dy1 O8 N5 O9 0.7(3) . . . . ?
Dy1 O8 N5 O10 179.6(3) . . . . ?
Dy1 O9 N5 O8 -0.7(3) . . . . ?
Dy1 O9 N5 O10 -179.6(3) . . . . ?
Dy1 O11 N6 O12 -8.4(4) . . . . ?
Dy1 O11 N6 O13 170.7(4) . . . . ?
Dy1 O12 N6 O11 8.2(4) . . . . ?
Dy1 O12 N6 O13 -170.8(4) . . . . ?
Zn1 O2 C1 C2 150.2(2) . . . . ?
Zn1 O2 C1 C6 -30.5(4) . . . . ?
Zn1 O3 C18 C17 11.5(4) . . . . ?
Zn1 O3 C18 C19 -170.1(2) . . . . ?
Zn1 N1 C9 C6 -6.5(6) . . . . ?
Zn1 N1 C10B C30B -28.6(11) . . . . ?
Zn1 N1 C10B C31B 178.2(8) . . . . ?
Zn1 N1 C10B C30A -58.0(9) . . . . ?
Zn1 N1 C10B C10A -106.6(8) . . . . ?
Zn1 N1 C10B C31A -155.7(7) . . . . ?
Zn1 N1 C10A C10B 84.2(10) . . . . ?
Zn1 N1 C10A C30B 28.4(5) . . . . ?
Zn1 N1 C10A C31B 140.1(3) . . . . ?
Zn1 N1 C10A C30A -0.6(9) . . . . ?
Zn1 N1 C10A C31A 168.9(9) . . . . ?
Zn1 N2 C16 C17 -4.8(6) . . . . ?
Zn1 N2 C30B C13B 170.1(10) . . . . ?
Zn1 N2 C30B C10B 27.1(9) . . . . ?
Zn1 N2 C30B C30A 111.3(10) . . . . ?
Zn1 N2 C30B C10A 57.1(5) . . . . ?
Zn1 N2 C30B C13A 179.3(5) . . . . ?
Zn1 N2 C30A C13B -148.4(14) . . . . ?
Zn1 N2 C30A C10B -27.8(11) . . . . ?
Zn1 N2 C30A C30B -79.7(10) . . . . ?
Zn1 N2 C30A C10A 3.2(12) . . . . ?
Zn1 N2 C30A C13A -143.4(7) . . . . ?
Zn1 N3 C25 C26 178.9(3) . . . . ?
Zn1 N3 C29 C28 -179.6(3) . . . . ?
O1 C2 C3 C4 179.3(3) . . . . ?
O2 C1 C2 O1 -2.4(4) . . . . ?
O2 C1 C2 C3 177.1(3) . . . . ?
O2 C1 C6 C5 -176.0(3) . . . . ?
O2 C1 C6 C9 3.6(5) . . . . ?
O3 C18 C19 O4 -7.2(4) . . . . ?
O3 C18 C19 C20 173.5(3) . . . . ?
O4 C19 C20 C21 -176.4(3) . . . . ?
N1 C10B C30B N2 1.3(13) . . . . ?
N1 C10B C30B C13B -142.6(13) . . . . ?
N1 C10B C30B C30A -75.8(13) . . . . ?
N1 C10B C30B C10A -67.7(11) . . . . ?
N1 C10B C30B C13A -148.6(8) . . . . ?
N1 C10B C31B C14B 174.8(7) . . . . ?
N1 C10B C31B C10A 66.2(12) . . . . ?
N1 C10B C31B C14A 145.1(8) . . . . ?
N1 C10B C31B C31A 72.3(15) . . . . ?
N1 C10B C30A N2 54.0(11) . . . . ?
N1 C10B C30A C13B -177.9(11) . . . . ?
N1 C10B C30A C30B 113.3(11) . . . . ?
N1 C10B C30A C10A -57.1(9) . . . . ?
N1 C10B C30A C13A 171.1(8) . . . . ?
N1 C10B C10A C30B 115.1(6) . . . . ?
N1 C10B C10A C31B -119.9(6) . . . . ?
N1 C10B C10A C30A 119.9(6) . . . . ?
N1 C10B C10A C31A -123.0(6) . . . . ?
N1 C10B C31A C31B -117.4(13) . . . . ?
N1 C10B C31A C14B -168.0(7) . . . . ?
N1 C10B C31A C10A 55.6(10) . . . . ?
N1 C10B C31A C14A 175.8(9) . . . . ?
N1 C10A C31A C10B -76.8(12) . . . . ?
N1 C10A C31A C31B -71.0(13) . . . . ?
N1 C10A C31A C14B -123.1(7) . . . . ?
N1 C10A C31A C14A -145.0(9) . . . . ?
N2 C16 C17 C18 -11.2(6) . . . . ?
N2 C16 C17 C22 171.2(4) . . . . ?
N2 C30B C30A C13B 125.5(9) . . . . ?
N2 C30B C30A C10B -117.8(6) . . . . ?
N2 C30B C30A C10A -112.9(6) . . . . ?
N2 C30B C30A C13A 119.0(5) . . . . ?
N2 C30B C10A N1 -55.1(5) . . . . ?
N2 C30B C10A C10B -121.6(11) . . . . ?
N2 C30B C10A C31B -170.9(4) . . . . ?
N2 C30B C10A C30A 67.8(11) . . . . ?
N2 C30B C10A C31A 162.6(9) . . . . ?
N2 C30B C13A C33B -178.4(5) . . . . ?
N2 C30B C13A C30A -69.9(10) . . . . ?
N2 C30B C13A C -146.5(8) . . . . ?
N2 C30A C10A N1 -1.7(13) . . . . ?
N2 C30A C10A C10B -78.4(13) . . . . ?
N2 C30A C10A C30B -70.1(11) . . . . ?
N2 C30A C10A C31B -139.5(7) . . . . ?
N2 C30A C10A C31A -171.8(10) . . . . ?
N2 C30A C13A C30B 62.3(10) . . . . ?
N2 C30A C13A C33B 145.4(7) . . . . ?
N2 C30A C13A C 176.4(8) . . . . ?
N3 C25 C26 C27 0.8(6) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
C1 C6 C9 N1 16.9(6) . . . . ?
C2 C1 C6 C5 3.2(4) . . . . ?
C2 C1 C6 C9 -177.2(3) . . . . ?
C2 C3 C4 C5 1.4(5) . . . . ?
C2 C3 C4 C8 179.2(4) . . . . ?
C3 C4 C5 C6 -0.3(5) . . . . ?
C4 C5 C6 C1 -2.1(5) . . . . ?
C4 C5 C6 C9 178.3(3) . . . . ?
C5 C6 C9 N1 -163.5(4) . . . . ?
C6 C1 C2 O1 178.3(3) . . . . ?
C6 C1 C2 C3 -2.2(4) . . . . ?
C7 O1 C2 C1 -144.7(3) . . . . ?
C7 O1 C2 C3 35.9(4) . . . . ?
C8 C4 C5 C6 -178.1(3) . . . . ?
C9 N1 C10B C30B 171.6(7) . . . . ?
C9 N1 C10B C31B 18.4(14) . . . . ?
C9 N1 C10B C30A 142.2(7) . . . . ?
C9 N1 C10B C10A 93.6(9) . . . . ?
C9 N1 C10B C31A 44.5(12) . . . . ?
C9 N1 C10A C10B -107.2(10) . . . . ?
C9 N1 C10A C30B -163.0(4) . . . . ?
C9 N1 C10A C31B -51.3(6) . . . . ?
C9 N1 C10A C30A 168.0(8) . . . . ?
C9 N1 C10A C31A -22.5(11) . . . . ?
C16 N2 C30B C13B -24.1(11) . . . . ?
C16 N2 C30B C10B -167.1(8) . . . . ?
C16 N2 C30B C30A -82.9(10) . . . . ?
C16 N2 C30B C10A -137.2(5) . . . . ?
C16 N2 C30B C13A -14.9(8) . . . . ?
C16 N2 C30A C13B 46.4(17) . . . . ?
C16 N2 C30A C10B 167.0(7) . . . . ?
C16 N2 C30A C30B 115.1(9) . . . . ?
C16 N2 C30A C10A -162.0(7) . . . . ?
C16 N2 C30A C13A 51.4(11) . . . . ?
C16 C17 C18 O3 7.3(5) . . . . ?
C16 C17 C18 C19 -171.1(3) . . . . ?
C16 C17 C22 C21 177.9(3) . . . . ?
C17 C18 C19 O4 171.4(3) . . . . ?
C17 C18 C19 C20 -8.0(4) . . . . ?
C18 C17 C22 C21 0.2(5) . . . . ?
C18 C19 C20 C21 2.9(5) . . . . ?
C19 C20 C21 C22 3.9(5) . . . . ?
C19 C20 C21 C24 -177.9(3) . . . . ?
C20 C21 C22 C17 -5.4(5) . . . . ?
C22 C17 C18 O3 -175.2(3) . . . . ?
C22 C17 C18 C19 6.4(4) . . . . ?
C24 C21 C22 C17 176.4(3) . . . . ?
C25 N3 C29 C28 -2.2(5) . . . . ?
C25 C26 C27 C28 -2.6(6) . . . . ?
C26 C27 C28 C29 2.0(6) . . . . ?
C27 C28 C29 N3 0.4(6) . . . . ?
C29 N3 C25 C26 1.6(5) . . . . ?
C23B O4 C19 C18 176.6(6) . . . . ?
C23B O4 C19 C20 -4.1(7) . . . . ?
C23A O4 C19 C18 -145.8(5) . . . . ?
C23A O4 C19 C20 33.5(6) . . . . ?
C13B C30B C30A N2 -125.5(9) . . . . ?
C13B C30B C30A C10B 116.7(10) . . . . ?
C13B C30B C30A C10A 121.6(11) . . . . ?
C13B C30B C30A C13A -6.5(11) . . . . ?
C13B C30B C10A N1 -177.8(10) . . . . ?
C13B C30B C10A C10B 115.7(15) . . . . ?
C13B C30B C10A C31B 66.4(11) . . . . ?
C13B C30B C10A C30A -54.9(14) . . . . ?
C13B C30B C10A C31A 39.9(14) . . . . ?
C13B C30B C13A C33B -66(8) . . . . ?
C13B C30B C13A C30A 43(8) . . . . ?
C13B C30B C13A C -34(8) . . . . ?
C13B C33B C14B C31B -15.2(13) . . . . ?
C13B C33B C14B C 64.1(14) . . . . ?
C13B C33B C14B C14A 53.0(12) . . . . ?
C13B C33B C14B C31A 10.5(13) . . . . ?
C13B C33B C13A C30B 110(8) . . . . ?
C13B C33B C13A C30A 78(8) . . . . ?
C13B C33B C13A C 1(8) . . . . ?
C13B C33B C C14B -127.6(11) . . . . ?
C13B C33B C C13A -0.1(13) . . . . ?
C13B C33B C C14A -121.5(13) . . . . ?
C13B C33B C14A C31B -69.4(11) . . . . ?
C13B C33B C14A C14B -137.1(11) . . . . ?
C13B C33B C14A C 55.7(14) . . . . ?
C13B C33B C14A C31A -38.7(15) . . . . ?
C13B C30A C10A N1 149.5(13) . . . . ?
C13B C30A C10A C10B 72.7(18) . . . . ?
C13B C30A C10A C30B 81.0(18) . . . . ?
C13B C30A C10A C31B 11.7(18) . . . . ?
C13B C30A C10A C31A -21(2) . . . . ?
C13B C30A C13A C30B -142(7) . . . . ?
C13B C30A C13A C33B -59(7) . . . . ?
C13B C30A C13A C -28(7) . . . . ?
C13B C C14A C31B 0(2) . . . . ?
C13B C C14A C33B -71.2(17) . . . . ?
C13B C C14A C14B -82.3(17) . . . . ?
C13B C C14A C31A 37(2) . . . . ?
C10B N1 C9 C6 149.2(8) . . . . ?
C10B N1 C10A C30B -55.8(9) . . . . ?
C10B N1 C10A C31B 55.9(10) . . . . ?
C10B N1 C10A C30A -84.8(11) . . . . ?
C10B N1 C10A C31A 84.7(13) . . . . ?
C10B C30B C30A N2 117.8(6) . . . . ?
C10B C30B C30A C13B -116.7(10) . . . . ?
C10B C30B C30A C10A 4.9(8) . . . . ?
C10B C30B C30A C13A -123.2(7) . . . . ?
C10B C30B C10A N1 66.5(11) . . . . ?
C10B C30B C10A C31B -49.3(11) . . . . ?
C10B C30B C10A C30A -170.5(15) . . . . ?
C10B C30B C10A C31A -75.8(13) . . . . ?
C10B C30B C13A C33B -27.7(12) . . . . ?
C10B C30B C13A C30A 80.9(12) . . . . ?
C10B C30B C13A C 4.3(14) . . . . ?
C10B C31B C14B C33B -23.2(9) . . . . ?
C10B C31B C14B C -57.3(10) . . . . ?
C10B C31B C14B C14A -103.4(9) . . . . ?
C10B C31B C14B C31A -102.2(12) . . . . ?
C10B C31B C10A N1 -64.4(11) . . . . ?
C10B C31B C10A C30B 48.1(10) . . . . ?
C10B C31B C10A C30A 77.1(12) . . . . ?
C10B C31B C10A C31A 173.5(16) . . . . ?
C10B C31B C14A C33B 34.1(10) . . . . ?
C10B C31B C14A C14B 88.4(9) . . . . ?
C10B C31B C14A C -0.3(14) . . . . ?
C10B C31B C14A C31A -90.4(12) . . . . ?
C10B C31B C31A C14B 112.9(7) . . . . ?
C10B C31B C31A C10A -3.3(8) . . . . ?
C10B C31B C31A C14A 113.4(6) . . . . ?
C10B C30A C10A N1 76.8(11) . . . . ?
C10B C30A C10A C30B 8.3(13) . . . . ?
C10B C30A C10A C31B -61.0(10) . . . . ?
C10B C30A C10A C31A -93.3(13) . . . . ?
C10B C30A C13A C30B -49.9(9) . . . . ?
C10B C30A C13A C33B 33.2(12) . . . . ?
C10B C30A C13A C 64.2(11) . . . . ?
C10B C10A C31A C31B 5.8(15) . . . . ?
C10B C10A C31A C14B -46.3(12) . . . . ?
C10B C10A C31A C14A -68.2(15) . . . . ?
C30B N2 C16 C17 -167.6(4) . . . . ?
C30B N2 C30A C13B -68.7(17) . . . . ?
C30B N2 C30A C10B 51.9(9) . . . . ?
C30B N2 C30A C10A 82.9(11) . . . . ?
C30B N2 C30A C13A -63.7(11) . . . . ?
C30B C13B C33B C14B 47.1(16) . . . . ?
C30B C13B C33B C13A -59(7) . . . . ?
C30B C13B C33B C 120.8(16) . . . . ?
C30B C13B C33B C14A 70.7(13) . . . . ?
C30B C13B C30A N2 63.0(13) . . . . ?
C30B C13B C30A C10B -54.7(10) . . . . ?
C30B C13B C30A C10A -85.8(15) . . . . ?
C30B C13B C30A C13A 37(7) . . . . ?
C30B C13B C C33B -73(2) . . . . ?
C30B C13B C C14B -27(2) . . . . ?
C30B C13B C C13A -72(13) . . . . ?
C30B C13B C C14A 4(3) . . . . ?
C30B C10B C31B C14B 25.2(16) . . . . ?
C30B C10B C31B C10A -83.4(14) . . . . ?
C30B C10B C31B C14A -4.6(17) . . . . ?
C30B C10B C31B C31A -77.3(18) . . . . ?
C30B C10B C30A N2 -59.3(9) . . . . ?
C30B C10B C30A C13B 68.9(13) . . . . ?
C30B C10B C30A C10A -170.4(15) . . . . ?
C30B C10B C30A C13A 57.9(10) . . . . ?
C30B C10B C10A N1 -115.1(6) . . . . ?
C30B C10B C10A C31B 124.9(8) . . . . ?
C30B C10B C10A C30A 4.7(8) . . . . ?
C30B C10B C10A C31A 121.8(7) . . . . ?
C30B C10B C31A C31B 117.2(15) . . . . ?
C30B C10B C31A C14B 66.6(11) . . . . ?
C30B C10B C31A C10A -69.8(11) . . . . ?
C30B C10B C31A C14A 50.4(14) . . . . ?
C30B C30A C10A N1 68.4(12) . . . . ?
C30B C30A C10A C10B -8.3(13) . . . . ?
C30B C30A C10A C31B -69.4(11) . . . . ?
C30B C30A C10A C31A -101.6(13) . . . . ?
C30B C30A C13A C33B 83.1(11) . . . . ?
C30B C30A C13A C 114.1(11) . . . . ?
C30B C10A C31A C10B 58.7(10) . . . . ?
C30B C10A C31A C31B 64.5(14) . . . . ?
C30B C10A C31A C14B 12.4(12) . . . . ?
C30B C10A C31A C14A -9.4(16) . . . . ?
C30B C13A C C13B 99(13) . . . . ?
C30B C13A C C33B -82.2(12) . . . . ?
C30B C13A C C14B -37.2(12) . . . . ?
C30B C13A C C14A -8.4(15) . . . . ?
C31B C10B C30B N2 152.0(10) . . . . ?
C31B C10B C30B C13B 8.1(19) . . . . ?
C31B C10B C30B C30A 74.9(16) . . . . ?
C31B C10B C30B C10A 83.0(15) . . . . ?
C31B C10B C30B C13A 2.1(18) . . . . ?
C31B C10B C30A N2 -179.7(9) . . . . ?
C31B C10B C30A C13B -51.5(16) . . . . ?
C31B C10B C30A C30B -120.4(13) . . . . ?
C31B C10B C30A C10A 69.2(12) . . . . ?
C31B C10B C30A C13A -62.5(14) . . . . ?
C31B C10B C10A N1 119.9(6) . . . . ?
C31B C10B C10A C30B -124.9(8) . . . . ?
C31B C10B C10A C30A -120.2(7) . . . . ?
C31B C10B C10A C31A -3.1(8) . . . . ?
C31B C10B C31A C14B -50.6(10) . . . . ?
C31B C10B C31A C10A 173.0(18) . . . . ?
C31B C10B C31A C14A -66.8(12) . . . . ?
C31B C14B C C13B 57.9(15) . . . . ?
C31B C14B C C33B 113.9(9) . . . . ?
C31B C14B C C13A 62.2(10) . . . . ?
C31B C14B C C14A -53.0(7) . . . . ?
C31B C14B C14A C33B 118.7(3) . . . . ?
C31B C14B C14A C 125.8(7) . . . . ?
C31B C14B C14A C31A 0.7(6) . . . . ?
C31B C14B C31A C10B 49.5(8) . . . . ?
C31B C14B C31A C10A 69.3(9) . . . . ?
C31B C14B C31A C14A -178.4(13) . . . . ?
C31B C10A C31A C10B -5.8(15) . . . . ?
C31B C10A C31A C14B -52.2(10) . . . . ?
C31B C10A C31A C14A -74.0(14) . . . . ?
C31B C14A C31A C10B 50.7(9) . . . . ?
C31B C14A C31A C14B 1.3(11) . . . . ?
C31B C14A C31A C10A 77.0(11) . . . . ?
C33B C13B C30B N2 174.1(8) . . . . ?
C33B C13B C30B C10B -41.9(17) . . . . ?
C33B C13B C30B C30A -122.0(16) . . . . ?
C33B C13B C30B C10A -73.1(13) . . . . ?
C33B C13B C30B C13A 103(9) . . . . ?
C33B C13B C30A N2 132.1(13) . . . . ?
C33B C13B C30A C10B 14(2) . . . . ?
C33B C13B C30A C30B 69.1(18) . . . . ?
C33B C13B C30A C10A -17(2) . . . . ?
C33B C13B C30A C13A 106(8) . . . . ?
C33B C13B C C14B 46.4(9) . . . . ?
C33B C13B C C13A 1(13) . . . . ?
C33B C13B C C14A 76.7(12) . . . . ?
C33B C14B C C13B -55.9(15) . . . . ?
C33B C14B C C13A -51.7(9) . . . . ?
C33B C14B C C14A -166.9(12) . . . . ?
C33B C14B C14A C31B -118.7(3) . . . . ?
C33B C14B C14A C 7.1(7) . . . . ?
C33B C14B C14A C31A -118.0(6) . . . . ?
C33B C14B C31A C10B -61.9(8) . . . . ?
C33B C14B C31A C31B -111.4(9) . . . . ?
C33B C14B C31A C10A -42.1(10) . . . . ?
C33B C14B C31A C14A 70.2(7) . . . . ?
C33B C13A C C13B -179(100) . . . . ?
C33B C13A C C14B 45.0(6) . . . . ?
C33B C13A C C14A 73.8(9) . . . . ?
C33B C C14A C31B 71.6(13) . . . . ?
C33B C C14A C14B -11.1(10) . . . . ?
C33B C C14A C31A 107.8(13) . . . . ?
C33B C14A C31A C10B -19.3(14) . . . . ?
C33B C14A C31A C31B -70.0(12) . . . . ?
C33B C14A C31A C14B -68.7(8) . . . . ?
C33B C14A C31A C10A 7.0(17) . . . . ?
C14B C31B C10A N1 -149.4(4) . . . . ?
C14B C31B C10A C10B -85.1(11) . . . . ?
C14B C31B C10A C30B -36.9(6) . . . . ?
C14B C31B C10A C30A -7.9(10) . . . . ?
C14B C31B C10A C31A 88.4(13) . . . . ?
C14B C31B C14A C33B -54.3(4) . . . . ?
C14B C31B C14A C -88.7(10) . . . . ?
C14B C31B C14A C31A -178.8(10) . . . . ?
C14B C31B C31A C10B -112.9(7) . . . . ?
C14B C31B C31A C10A -116.1(4) . . . . ?
C14B C31B C31A C14A 0.6(5) . . . . ?
C14B C33B C13A C30B 29.2(10) . . . . ?
C14B C33B C13A C30A -3.1(12) . . . . ?
C14B C33B C13A C -80.3(10) . . . . ?
C14B C33B C C13B 127.6(11) . . . . ?
C14B C33B C C13A 127.5(5) . . . . ?
C14B C33B C C14A 6.2(6) . . . . ?
C14B C33B C14A C31B 67.7(5) . . . . ?
C14B C33B C14A C -167.2(12) . . . . ?
C14B C33B C14A C31A 98.4(11) . . . . ?
C14B C C14A C31B 82.8(9) . . . . ?
C14B C C14A C33B 11.1(10) . . . . ?
C14B C C14A C31A 118.9(11) . . . . ?
C14B C14A C31A C10B 49.4(11) . . . . ?
C14B C14A C31A C31B -1.3(11) . . . . ?
C14B C14A C31A C10A 75.6(13) . . . . ?
C30A N2 C16 C17 158.4(7) . . . . ?
C30A N2 C30B C13B 58.8(13) . . . . ?
C30A N2 C30B C10B -84.3(11) . . . . ?
C30A N2 C30B C10A -54.3(9) . . . . ?
C30A N2 C30B C13A 68.0(11) . . . . ?
C30A C13B C30B N2 -63.9(11) . . . . ?
C30A C13B C30B C10B 80.0(13) . . . . ?
C30A C13B C30B C10A 48.8(10) . . . . ?
C30A C13B C30B C13A -135(9) . . . . ?
C30A C13B C33B C14B 19(2) . . . . ?
C30A C13B C33B C13A -87(8) . . . . ?
C30A C13B C33B C 92.7(19) . . . . ?
C30A C13B C33B C14A 42.6(18) . . . . ?
C30A C13B C C33B -106(2) . . . . ?
C30A C13B C C14B -59(2) . . . . ?
C30A C13B C C13A -104(14) . . . . ?
C30A C13B C C14A -29(3) . . . . ?
C30A C10B C30B N2 77.1(11) . . . . ?
C30A C10B C30B C13B -66.8(14) . . . . ?
C30A C10B C30B C10A 8.1(13) . . . . ?
C30A C10B C30B C13A -72.8(12) . . . . ?
C30A C10B C31B C14B 56.3(12) . . . . ?
C30A C10B C31B C10A -52.3(10) . . . . ?
C30A C10B C31B C14A 26.6(14) . . . . ?
C30A C10B C31B C31A -46.2(16) . . . . ?
C30A C10B C10A N1 -119.9(6) . . . . ?
C30A C10B C10A C30B -4.7(8) . . . . ?
C30A C10B C10A C31B 120.2(7) . . . . ?
C30A C10B C10A C31A 117.1(8) . . . . ?
C30A C10B C31A C31B 138.2(14) . . . . ?
C30A C10B C31A C14B 87.6(9) . . . . ?
C30A C10B C31A C10A -48.8(9) . . . . ?
C30A C10B C31A C14A 71.4(11) . . . . ?
C30A C30B C10A N1 -122.9(11) . . . . ?
C30A C30B C10A C10B 170.5(15) . . . . ?
C30A C30B C10A C31B 121.2(11) . . . . ?
C30A C30B C10A C31A 94.8(14) . . . . ?
C30A C30B C13A C33B -108.6(11) . . . . ?
C30A C30B C13A C -76.6(12) . . . . ?
C30A C10A C31A C10B 92.9(12) . . . . ?
C30A C10A C31A C31B 98.8(14) . . . . ?
C30A C10A C31A C14B 46.6(13) . . . . ?
C30A C10A C31A C14A 24.8(17) . . . . ?
C30A C13A C C13B 68(13) . . . . ?
C30A C13A C C33B -113.3(12) . . . . ?
C30A C13A C C14B -68.3(11) . . . . ?
C30A C13A C C14A -39.5(14) . . . . ?
C10A N1 C9 C6 -173.4(4) . . . . ?
C10A N1 C10B C30B 78.0(11) . . . . ?
C10A N1 C10B C31B -75.2(12) . . . . ?
C10A N1 C10B C30A 48.6(8) . . . . ?
C10A N1 C10B C31A -49.1(10) . . . . ?
C10A C10B C30B N2 69.0(12) . . . . ?
C10A C10B C30B C13B -74.9(15) . . . . ?
C10A C10B C30B C30A -8.1(13) . . . . ?
C10A C10B C30B C13A -80.9(13) . . . . ?
C10A C10B C31B C14B 108.6(10) . . . . ?
C10A C10B C31B C14A 78.8(12) . . . . ?
C10A C10B C31B C31A 6.1(15) . . . . ?
C10A C10B C30A N2 111.1(11) . . . . ?
C10A C10B C30A C13B -120.7(14) . . . . ?
C10A C10B C30A C30B 170.4(15) . . . . ?
C10A C10B C30A C13A -131.7(12) . . . . ?
C10A C10B C31A C31B -173.0(18) . . . . ?
C10A C10B C31A C14B 136.4(11) . . . . ?
C10A C10B C31A C14A 120.2(13) . . . . ?
C10A C30B C30A N2 112.9(6) . . . . ?
C10A C30B C30A C13B -121.6(11) . . . . ?
C10A C30B C30A C10B -4.9(8) . . . . ?
C10A C30B C30A C13A -128.1(7) . . . . ?
C10A C30B C13A C33B -61.5(8) . . . . ?
C10A C30B C13A C30A 47.0(9) . . . . ?
C10A C30B C13A C -29.5(11) . . . . ?
C10A C31B C14B C33B 9.3(6) . . . . ?
C10A C31B C14B C -24.8(8) . . . . ?
C10A C31B C14B C14A -71.0(6) . . . . ?
C10A C31B C14B C31A -69.8(9) . . . . ?
C10A C31B C14A C33B 64.9(6) . . . . ?
C10A C31B C14A C14B 119.2(5) . . . . ?
C10A C31B C14A C 30.5(11) . . . . ?
C10A C31B C14A C31A -59.5(9) . . . . ?
C10A C31B C31A C10B 3.3(8) . . . . ?
C10A C31B C31A C14B 116.1(4) . . . . ?
C10A C31B C31A C14A 116.7(6) . . . . ?
C10A C30A C13A C30B -78.3(13) . . . . ?
C10A C30A C13A C33B 4.8(16) . . . . ?
C10A C30A C13A C 35.8(15) . . . . ?
C13A C30B C30A N2 -119.0(5) . . . . ?
C13A C30B C30A C13B 6.5(11) . . . . ?
C13A C30B C30A C10B 123.2(7) . . . . ?
C13A C30B C30A C10A 128.1(7) . . . . ?
C13A C30B C10A N1 -178.4(6) . . . . ?
C13A C30B C10A C10B 115.0(12) . . . . ?
C13A C30B C10A C31B 65.7(7) . . . . ?
C13A C30B C10A C30A -55.5(11) . . . . ?
C13A C30B C10A C31A 39.2(11) . . . . ?
C13A C33B C14B C31B -3.9(8) . . . . ?
C13A C33B C14B C 75.4(11) . . . . ?
C13A C33B C14B C14A 64.3(8) . . . . ?
C13A C33B C14B C31A 21.8(9) . . . . ?
C13A C33B C C13B 0.1(13) . . . . ?
C13A C33B C C14B -127.5(5) . . . . ?
C13A C33B C C14A -121.3(7) . . . . ?
C13A C33B C14A C31B -61.6(8) . . . . ?
C13A C33B C14A C14B -129.3(7) . . . . ?
C13A C33B C14A C 63.5(11) . . . . ?
C13A C33B C14A C31A -30.9(12) . . . . ?
C13A C30A C10A N1 138.5(10) . . . . ?
C13A C30A C10A C10B 61.8(16) . . . . ?
C13A C30A C10A C30B 70.1(14) . . . . ?
C13A C30A C10A C31B 0.7(16) . . . . ?
C13A C30A C10A C31A -31.6(17) . . . . ?
C13A C C14A C31B 6.6(16) . . . . ?
C13A C C14A C33B -65.1(11) . . . . ?
C13A C C14A C14B -76.2(11) . . . . ?
C13A C C14A C31A 42.7(16) . . . . ?
C C13B C30B N2 -151.5(16) . . . . ?
C C13B C30B C10B -8(2) . . . . ?
C C13B C30B C30A -88(2) . . . . ?
C C13B C30B C10A -39(2) . . . . ?
C C13B C30B C13A 137(10) . . . . ?
C C13B C33B C14B -73.7(12) . . . . ?
C C13B C33B C13A -179(8) . . . . ?
C C13B C33B C14A -50.1(10) . . . . ?
C C13B C30A N2 170.8(14) . . . . ?
C C13B C30A C10B 53(2) . . . . ?
C C13B C30A C30B 108(2) . . . . ?
C C13B C30A C10A 22(3) . . . . ?
C C13B C30A C13A 144(9) . . . . ?
C C33B C14B C31B -79.3(10) . . . . ?
C C33B C14B C14A -11.1(11) . . . . ?
C C33B C14B C31A -53.6(11) . . . . ?
C C33B C13A C30B 109.5(11) . . . . ?
C C33B C13A C30A 77.2(12) . . . . ?
C C33B C14A C31B -125.1(12) . . . . ?
C C33B C14A C14B 167.2(12) . . . . ?
C C33B C14A C31A -94.4(15) . . . . ?
C C14B C14A C31B -125.8(7) . . . . ?
C C14B C14A C33B -7.1(7) . . . . ?
C C14B C14A C31A -125.1(9) . . . . ?
C C14B C31A C10B -88.0(8) . . . . ?
C C14B C31A C31B -137.5(10) . . . . ?
C C14B C31A C10A -68.2(10) . . . . ?
C C14B C31A C14A 44.1(8) . . . . ?
C C14A C31A C10B -59.5(14) . . . . ?
C C14A C31A C31B -110.2(13) . . . . ?
C C14A C31A C14B -108.9(11) . . . . ?
C C14A C31A C10A -33.2(17) . . . . ?
C14A C31B C14B C33B 80.3(6) . . . . ?
C14A C31B C14B C 46.1(7) . . . . ?
C14A C31B C14B C31A 1.2(10) . . . . ?
C14A C31B C10A N1 -176.5(4) . . . . ?
C14A C31B C10A C10B -112.1(11) . . . . ?
C14A C31B C10A C30B -64.0(6) . . . . ?
C14A C31B C10A C30A -35.0(9) . . . . ?
C14A C31B C10A C31A 61.4(12) . . . . ?
C14A C31B C31A C10B -113.4(6) . . . . ?
C14A C31B C31A C14B -0.6(5) . . . . ?
C14A C31B C31A C10A -116.7(6) . . . . ?
C14A C33B C14B C31B -68.2(5) . . . . ?
C14A C33B C14B C 11.1(11) . . . . ?
C14A C33B C14B C31A -42.5(6) . . . . ?
C14A C33B C13A C30B 57.0(8) . . . . ?
C14A C33B C13A C30A 24.7(10) . . . . ?
C14A C33B C13A C -52.5(9) . . . . ?
C14A C33B C C13B 121.5(13) . . . . ?
C14A C33B C C14B -6.2(6) . . . . ?
C14A C33B C C13A 121.3(7) . . . . ?
C14A C14B C C13B 111.0(16) . . . . ?
C14A C14B C C33B 166.9(12) . . . . ?
C14A C14B C C13A 115.2(11) . . . . ?
C14A C14B C31A C10B -132.0(10) . . . . ?
C14A C14B C31A C31B 178.4(13) . . . . ?
C14A C14B C31A C10A -112.3(12) . . . . ?
C31A C10B C30B N2 123.5(9) . . . . ?
C31A C10B C30B C13B -20.4(17) . . . . ?
C31A C10B C30B C30A 46.4(14) . . . . ?
C31A C10B C30B C10A 54.5(11) . . . . ?
C31A C10B C30B C13A -26.4(15) . . . . ?
C31A C10B C31B C14B 102.5(13) . . . . ?
C31A C10B C31B C10A -6.1(15) . . . . ?
C31A C10B C31B C14A 72.7(12) . . . . ?
C31A C10B C30A N2 161.6(9) . . . . ?
C31A C10B C30A C13B -70.2(13) . . . . ?
C31A C10B C30A C30B -139.1(12) . . . . ?
C31A C10B C30A C10A 50.6(9) . . . . ?
C31A C10B C30A C13A -81.2(11) . . . . ?
C31A C10B C10A N1 123.0(6) . . . . ?
C31A C10B C10A C30B -121.8(7) . . . . ?
C31A C10B C10A C31B 3.1(8) . . . . ?
C31A C10B C10A C30A -117.1(8) . . . . ?
C31A C31B C14B C33B 79.1(10) . . . . ?
C31A C31B C14B C 44.9(11) . . . . ?
C31A C31B C14B C14A -1.2(10) . . . . ?
C31A C31B C10A N1 122.1(12) . . . . ?
C31A C31B C10A C10B -173.5(16) . . . . ?
C31A C31B C10A C30B -125.4(12) . . . . ?
C31A C31B C10A C30A -96.4(14) . . . . ?
C31A C31B C14A C33B 124.4(10) . . . . ?
C31A C31B C14A C14B 178.8(10) . . . . ?
C31A C31B C14A C 90.1(13) . . . . ?
C31A C14B C C13B 75.0(15) . . . . ?
C31A C14B C C33B 130.9(9) . . . . ?
C31A C14B C C13A 79.2(9) . . . . ?
C31A C14B C C14A -36.0(7) . . . . ?
C31A C14B C14A C31B -0.7(6) . . . . ?
C31A C14B C14A C33B 118.0(6) . . . . ?
C31A C14B C14A C 125.1(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
