# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1027791'
_audit_update_record             
;
2018-03-28 deposited with the CCDC.
2018-03-29 downloaded from the CCDC.
;
_audit_creation_date             2018-03-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H63 Dy O8'
_chemical_formula_sum            'C35 H63 Dy O8'
_chemical_formula_weight         774.35
_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'
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      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                   10.678(5)
_cell_length_b                   13.945(5)
_cell_length_c                   16.534(5)
_cell_angle_alpha                65.115(5)
_cell_angle_beta                 72.713(5)
_cell_angle_gamma                75.622(5)
_cell_volume                     2110.8(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6285
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6589
_cell_measurement_theta_min      3.0534
_shelx_estimated_absorpt_T_max   0.714
_shelx_estimated_absorpt_T_min   0.671
_exptl_absorpt_coefficient_mu    1.810
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             806
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17638
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         3.059
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  MoKα
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8034
_reflns_number_total             9689
_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       ?
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         0.917
_refine_diff_density_min         -0.517
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         9689
_refine_ls_number_restraints     102
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0421
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0477P)²+0.8670P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.1031
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C3-C21A \\sim C23-C3 \\sim C22-C3 \\sim C22A-C3 \\sim C23A-C3 \\sim C21-C3
 with sigma of 0.02
 C7-C25A \\sim C25-C7 \\sim C24A-C7 \\sim C26-C7 \\sim C26A-C7 \\sim C24-C7
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C21A, C23, C22A, C22, C23A, C21, C3
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C25A, C25, C24A, C26, C26A, C24, C7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Fixed Sof: C21(0.5) H21A(0.5) H21B(0.5) H21C(0.5) C22(0.5) H22A(0.5)
 H22B(0.5) H22C(0.5) C23(0.5) H23A(0.5) H23B(0.5) H23C(0.5) C22A(0.5) H22D(0.5)
 H22E(0.5) H22F(0.5) C23A(0.5) H23D(0.5) H23E(0.5) H23F(0.5) C21A(0.5)
 H21D(0.5) H21E(0.5) H21F(0.5) C24(0.5) H24A(0.5) H24B(0.5) H24C(0.5) C25(0.5)
 H25A(0.5) H25B(0.5) H25C(0.5) C26(0.5) H26A(0.5) H26B(0.5) H26C(0.5) C24A(0.5)
 H24D(0.5) H24E(0.5) H24F(0.5) C25A(0.5) H25D(0.5) H25E(0.5) H25F(0.5)
 C26A(0.5) H26D(0.5) H26E(0.5) H26F(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C10(H10), C15(H15)
5.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C22A(H22D,H22E,H22F), C23A(H23D,H23E,H23F), C21A(H21D,H21E,H21F),
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C24A(H24D,H24E,
 H24F), C25A(H25D,H25E,H25F), C26A(H26D,H26E,H26F), C31A(H31A,H31B,H31C),
 C32A(H32A,H32B,H32C), C33A(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C), C36(H36A,H36B,H36C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C43(H43A,
 H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C),
 C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
C2 C -0.0496(12) 0.3591(6) 0.4902(5) 0.171(5) Uani 1 1 d . . . . .
H2A H 0.038489 0.354847 0.453431 0.257 Uiso 1 1 calc GR . . . .
H2B H -0.109423 0.406659 0.452096 0.257 Uiso 1 1 calc GR . . . .
H2C H -0.076518 0.289431 0.519813 0.257 Uiso 1 1 calc GR . . . .
C3 C 0.1177(5) 0.1567(5) 0.9754(3) 0.0817(14) Uani 1 1 d D U . . .
C4 C 0.0001(4) 0.2034(4) 0.9278(3) 0.0596(10) Uani 1 1 d . . . . .
C5 C -0.1274(4) 0.2177(4) 0.9783(3) 0.0679(12) Uani 1 1 d . . . . .
H5 H -0.138013 0.199711 1.040598 0.081 Uiso 1 1 calc R . . . .
C6 C -0.2396(4) 0.2564(3) 0.9430(3) 0.0581(10) Uani 1 1 d . . . . .
C7 C -0.3783(4) 0.2674(4) 1.0051(3) 0.0737(12) Uani 1 1 d D U . . .
C8 C 0.1719(5) 0.0311(4) 0.6384(4) 0.0760(14) Uani 1 1 d . . . . .
C9 C 0.0421(4) 0.0996(3) 0.6666(3) 0.0530(9) Uani 1 1 d . . . . .
C10 C -0.0797(4) 0.0754(3) 0.6731(3) 0.0604(11) Uani 1 1 d . . . . .
H10 H -0.080275 0.014834 0.662818 0.072 Uiso 1 1 calc R . . . .
C11 C -0.2007(4) 0.1350(3) 0.6938(3) 0.0495(8) Uani 1 1 d . . . . .
C12 C -0.3316(4) 0.1057(4) 0.6957(4) 0.0674(12) Uani 1 1 d . . . . .
C13 C -0.4446(5) 0.5793(4) 0.6623(4) 0.0808(14) Uani 1 1 d . . . . .
C14 C -0.3117(4) 0.5310(4) 0.6916(3) 0.0622(11) Uani 1 1 d . . . . .
C15 C -0.2616(5) 0.5786(4) 0.7319(4) 0.0697(12) Uani 1 1 d . . . . .
H15 H -0.313542 0.637573 0.743465 0.084 Uiso 1 1 calc R . . . .
C16 C -0.1398(4) 0.5444(3) 0.7559(3) 0.0598(10) Uani 1 1 d . . . . .
C17 C -0.0914(5) 0.6037(4) 0.7988(4) 0.0771(14) Uani 1 1 d . . . . .
C21 C 0.196(3) 0.250(2) 0.939(2) 0.170(11) Uani 0.5 1 d D U P A 1
H21A H 0.246984 0.258610 0.878421 0.256 Uiso 0.5 1 calc GR . P A 1
H21B H 0.254741 0.235615 0.978268 0.256 Uiso 0.5 1 calc GR . P A 1
H21C H 0.135966 0.314215 0.937632 0.256 Uiso 0.5 1 calc GR . P A 1
C22 C 0.085(3) 0.130(3) 1.0763(10) 0.217(16) Uani 0.5 1 d D U P A 1
H22A H 0.022505 0.186334 1.090274 0.326 Uiso 0.5 1 calc GR . P A 1
H22B H 0.163832 0.120350 1.096496 0.326 Uiso 0.5 1 calc GR . P A 1
H22C H 0.046134 0.064562 1.106968 0.326 Uiso 0.5 1 calc GR . P A 1
C23 C 0.203(2) 0.077(2) 0.936(2) 0.138(10) Uani 0.5 1 d D U P A 1
H23A H 0.159674 0.015489 0.958147 0.208 Uiso 0.5 1 calc GR . P A 1
H23B H 0.286486 0.056117 0.954272 0.208 Uiso 0.5 1 calc GR . P A 1
H23C H 0.218420 0.108627 0.870634 0.208 Uiso 0.5 1 calc GR . P A 1
C22A C 0.086(2) 0.0587(17) 1.0628(11) 0.158(10) Uani 0.5 1 d D U P A 2
H22D H -0.006356 0.067804 1.090587 0.236 Uiso 0.5 1 calc GR . P A 2
H22E H 0.137639 0.050706 1.104587 0.236 Uiso 0.5 1 calc GR . P A 2
H22F H 0.107689 -0.003879 1.047945 0.236 Uiso 0.5 1 calc GR . P A 2
C23A C 0.150(3) 0.245(2) 0.992(3) 0.191(14) Uani 0.5 1 d D U P A 2
H23D H 0.228049 0.270670 0.948376 0.286 Uiso 0.5 1 calc GR . P A 2
H23E H 0.164409 0.218345 1.052644 0.286 Uiso 0.5 1 calc GR . P A 2
H23F H 0.076962 0.302205 0.985348 0.286 Uiso 0.5 1 calc GR . P A 2
C21A C 0.2426(18) 0.121(2) 0.9179(19) 0.125(9) Uani 0.5 1 d D U P A 2
H21D H 0.224519 0.074104 0.895161 0.188 Uiso 0.5 1 calc GR . P A 2
H21E H 0.307800 0.084017 0.954300 0.188 Uiso 0.5 1 calc GR . P A 2
H21F H 0.275504 0.182197 0.867547 0.188 Uiso 0.5 1 calc GR . P A 2
C24 C -0.4662(15) 0.2156(15) 0.9826(11) 0.113(5) Uani 0.5 1 d D U P B 3
H24A H -0.474485 0.254628 0.920329 0.169 Uiso 0.5 1 calc GR . P B 3
H24B H -0.552284 0.216292 1.022537 0.169 Uiso 0.5 1 calc GR . P B 3
H24C H -0.427330 0.143185 0.990579 0.169 Uiso 0.5 1 calc GR . P B 3
C25 C -0.4199(15) 0.3830(9) 0.9894(12) 0.115(5) Uani 0.5 1 d D U P B 3
H25A H -0.373215 0.403240 1.019835 0.172 Uiso 0.5 1 calc GR . P B 3
H25B H -0.513512 0.395541 1.013084 0.172 Uiso 0.5 1 calc GR . P B 3
H25C H -0.399740 0.424552 0.924990 0.172 Uiso 0.5 1 calc GR . P B 3
C26 C -0.3783(11) 0.1977(11) 1.1076(6) 0.088(3) Uani 0.5 1 d D U P B 3
H26A H -0.342855 0.125168 1.114106 0.133 Uiso 0.5 1 calc GR . P B 3
H26B H -0.467361 0.200564 1.143308 0.133 Uiso 0.5 1 calc GR . P B 3
H26C H -0.324662 0.224608 1.128544 0.133 Uiso 0.5 1 calc GR . P B 3
C24A C -0.3736(15) 0.3037(19) 1.0803(11) 0.151(7) Uani 0.5 1 d D U P B 4
H24D H -0.317619 0.250617 1.118868 0.226 Uiso 0.5 1 calc GR . P B 4
H24E H -0.461378 0.312819 1.116180 0.226 Uiso 0.5 1 calc GR . P B 4
H24F H -0.338704 0.370234 1.052466 0.226 Uiso 0.5 1 calc GR . P B 4
C25A C -0.4695(12) 0.3607(12) 0.9475(9) 0.106(4) Uani 0.5 1 d D U P B 4
H25D H -0.425238 0.422731 0.915151 0.159 Uiso 0.5 1 calc GR . P B 4
H25E H -0.550584 0.376813 0.987256 0.159 Uiso 0.5 1 calc GR . P B 4
H25F H -0.489005 0.340036 0.904465 0.159 Uiso 0.5 1 calc GR . P B 4
C26A C -0.4363(19) 0.1676(12) 1.0367(15) 0.154(8) Uani 0.5 1 d D U P B 4
H26D H -0.427938 0.149287 0.985337 0.230 Uiso 0.5 1 calc GR . P B 4
H26E H -0.528266 0.178514 1.065325 0.230 Uiso 0.5 1 calc GR . P B 4
H26F H -0.390034 0.110687 1.079898 0.230 Uiso 0.5 1 calc GR . P B 4
C31A C 0.1542(8) -0.0776(7) 0.6572(11) 0.256(8) Uani 1 1 d . . . C 6
H31A H 0.105357 -0.108200 0.718847 0.385 Uiso 1 1 calc GR . . C 6
H31B H 0.239334 -0.120097 0.649446 0.385 Uiso 1 1 calc GR . . C 6
H31C H 0.106271 -0.075751 0.615672 0.385 Uiso 1 1 calc GR . . C 6
C32A C 0.2224(14) 0.0844(11) 0.5416(8) 0.300(10) Uani 1 1 d . . . D 6
H32A H 0.209743 0.045752 0.509065 0.451 Uiso 1 1 calc GR . . D 6
H32B H 0.315186 0.087192 0.530425 0.451 Uiso 1 1 calc GR . . D 6
H32C H 0.175821 0.155688 0.521036 0.451 Uiso 1 1 calc GR . . D 6
C33A C 0.2692(9) 0.0241(11) 0.6859(11) 0.263(9) Uani 1 1 d . . . E 6
H33A H 0.293581 0.093501 0.666444 0.394 Uiso 1 1 calc GR . . E 6
H33B H 0.346237 -0.024183 0.672405 0.394 Uiso 1 1 calc GR . . E 6
H33C H 0.232646 -0.001747 0.750515 0.394 Uiso 1 1 calc GR . . E 6
C34 C -0.3194(7) -0.0034(7) 0.6953(8) 0.172(5) Uani 1 1 d . . . . .
H34A H -0.269984 -0.004462 0.636706 0.258 Uiso 1 1 calc GR . . . .
H34B H -0.406128 -0.021085 0.707153 0.258 Uiso 1 1 calc GR . . . .
H34C H -0.274233 -0.054689 0.741820 0.258 Uiso 1 1 calc GR . . . .
C35 C -0.4293(8) 0.1094(11) 0.7798(8) 0.216(6) Uani 1 1 d . . . . .
H35A H -0.386066 0.079142 0.830174 0.324 Uiso 1 1 calc GR . . . .
H35B H -0.498679 0.069303 0.792332 0.324 Uiso 1 1 calc GR . . . .
H35C H -0.466431 0.182258 0.771284 0.324 Uiso 1 1 calc GR . . . .
C36 C -0.3810(11) 0.1866(9) 0.6172(9) 0.259(9) Uani 1 1 d . . . . .
H36A H -0.386160 0.256116 0.617730 0.389 Uiso 1 1 calc GR . . . .
H36B H -0.467475 0.175209 0.620094 0.389 Uiso 1 1 calc GR . . . .
H36C H -0.321862 0.182071 0.562044 0.389 Uiso 1 1 calc GR . . . .
C41 C -0.4366(12) 0.5709(13) 0.5751(8) 0.263(9) Uani 1 1 d . . . . .
H41A H -0.384668 0.622644 0.526294 0.394 Uiso 1 1 calc GR . . . .
H41B H -0.524175 0.584204 0.564663 0.394 Uiso 1 1 calc GR . . . .
H41C H -0.395716 0.500523 0.577423 0.394 Uiso 1 1 calc GR . . . .
C42 C -0.5439(9) 0.5138(11) 0.7276(10) 0.272(9) Uani 1 1 d . . . . .
H42A H -0.513813 0.440746 0.733657 0.408 Uiso 1 1 calc GR . . . .
H42B H -0.625192 0.537988 0.706671 0.408 Uiso 1 1 calc GR . . . .
H42C H -0.558565 0.519222 0.785772 0.408 Uiso 1 1 calc GR . . . .
C43 C -0.4938(13) 0.6876(9) 0.6596(13) 0.301(11) Uani 1 1 d . . . . .
H43A H -0.530133 0.685672 0.720743 0.451 Uiso 1 1 calc GR . . . .
H43B H -0.561385 0.719232 0.624830 0.451 Uiso 1 1 calc GR . . . .
H43C H -0.422184 0.729395 0.631539 0.451 Uiso 1 1 calc GR . . . .
C44 C -0.1587(11) 0.7141(7) 0.7826(9) 0.201(6) Uani 1 1 d . . . . .
H44A H -0.151029 0.753349 0.718145 0.302 Uiso 1 1 calc GR . . . .
H44B H -0.118142 0.747797 0.806460 0.302 Uiso 1 1 calc GR . . . .
H44C H -0.250571 0.713044 0.812646 0.302 Uiso 1 1 calc GR . . . .
C45 C -0.1166(16) 0.5414(9) 0.8986(7) 0.242(7) Uani 1 1 d . . . . .
H45A H -0.210090 0.550006 0.924175 0.363 Uiso 1 1 calc GR . . . .
H45B H -0.071507 0.566581 0.926592 0.363 Uiso 1 1 calc GR . . . .
H45C H -0.084589 0.467237 0.909836 0.363 Uiso 1 1 calc GR . . . .
C46 C 0.0501(8) 0.6066(11) 0.7645(10) 0.229(7) Uani 1 1 d . . . . .
H46A H 0.096217 0.534969 0.779244 0.343 Uiso 1 1 calc GR . . . .
H46B H 0.079323 0.642927 0.792166 0.343 Uiso 1 1 calc GR . . . .
H46C H 0.068372 0.643788 0.699383 0.343 Uiso 1 1 calc GR . . . .
O1 O 0.0280(3) 0.2272(2) 0.84224(19) 0.0598(7) Uani 1 1 d . . . . .
O2 O -0.2384(3) 0.2854(3) 0.8597(2) 0.0672(8) Uani 1 1 d . . . . .
O3 O 0.0563(3) 0.1777(2) 0.6813(2) 0.0609(7) Uani 1 1 d . . . . .
O4 O -0.2124(3) 0.2173(2) 0.7106(2) 0.0601(7) Uani 1 1 d . . . . .
O5 O -0.2548(3) 0.4485(2) 0.6762(2) 0.0665(8) Uani 1 1 d . . . . .
O6 O -0.0617(3) 0.4642(2) 0.7454(2) 0.0645(8) Uani 1 1 d . . . . .
O7 O 0.1488(4) 0.3538(4) 0.6490(3) 0.1055(13) Uani 1 1 d . . . . .
O8 O -0.0516(5) 0.3957(3) 0.5528(3) 0.1050(14) Uani 1 1 d . . . . .
Dy1 Dy -0.08427(2) 0.31425(2) 0.72650(2) 0.04972(8) Uani 1 1 d . . . . .
C1 C 0.2440(8) 0.3721(8) 0.6738(6) 0.144(3) Uani 1 1 d . . . . .
H1A H 0.290840 0.425598 0.622935 0.216 Uiso 1 1 calc GR . . . .
H1B H 0.304190 0.307343 0.693131 0.216 Uiso 1 1 calc GR . . . .
H1C H 0.206362 0.396641 0.723294 0.216 Uiso 1 1 calc GR . . . .


_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
C2 O8 1.326(8) . ?
C3 C4 1.540(6) . ?
C3 C21 1.529(14) . ?
C3 C22 1.495(13) . ?
C3 C23 1.497(13) . ?
C3 C22A 1.532(13) . ?
C3 C23A 1.500(13) . ?
C3 C21A 1.498(12) . ?
C4 C5 1.386(6) . ?
C4 O1 1.267(5) . ?
C5 C6 1.377(6) . ?
C6 C7 1.546(6) . ?
C6 O2 1.258(5) . ?
C7 C24 1.521(11) . ?
C7 C25 1.491(10) . ?
C7 C26 1.559(9) . ?
C7 C24A 1.543(11) . ?
C7 C25A 1.558(10) . ?
C7 C26A 1.489(12) . ?
C8 C9 1.544(6) . ?
C8 C31A 1.462(9) . ?
C8 C32A 1.445(11) . ?
C8 C33A 1.441(10) . ?
C9 C10 1.387(6) . ?
C9 O3 1.262(5) . ?
C10 C11 1.386(6) . ?
C11 C12 1.540(6) . ?
C11 O4 1.259(4) . ?
C12 C34 1.497(8) . ?
C12 C35 1.482(9) . ?
C12 C36 1.454(10) . ?
C13 C14 1.537(7) . ?
C13 C41 1.470(11) . ?
C13 C42 1.447(11) . ?
C13 C43 1.458(10) . ?
C14 C15 1.388(6) . ?
C14 O5 1.252(5) . ?
C15 C16 1.385(6) . ?
C16 C17 1.542(6) . ?
C16 O6 1.261(5) . ?
C17 C44 1.475(9) . ?
C17 C45 1.482(11) . ?
C17 C46 1.452(9) . ?
O1 Dy1 2.293(3) . ?
O2 Dy1 2.269(3) . ?
O3 Dy1 2.356(3) . ?
O4 Dy1 2.280(3) . ?
O5 Dy1 2.326(3) . ?
O6 Dy1 2.318(3) . ?
O7 Dy1 2.516(4) . ?
O7 C1 1.315(8) . ?
O8 Dy1 2.552(4) . ?

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
C21 C3 C4 104.0(15) . . ?
C22 C3 C4 116.1(12) . . ?
C22 C3 C21 102.6(18) . . ?
C22 C3 C23 120(2) . . ?
C23 C3 C4 106.2(12) . . ?
C23 C3 C21 105.8(17) . . ?
C22A C3 C4 111.0(9) . . ?
C23A C3 C4 107.3(15) . . ?
C23A C3 C22A 113.4(17) . . ?
C21A C3 C4 113.8(12) . . ?
C21A C3 C22A 106.2(16) . . ?
C21A C3 C23A 105.2(16) . . ?
C5 C4 C3 120.1(4) . . ?
O1 C4 C3 116.2(4) . . ?
O1 C4 C5 123.7(4) . . ?
C6 C5 C4 124.8(4) . . ?
C5 C6 C7 121.2(4) . . ?
O2 C6 C5 123.8(4) . . ?
O2 C6 C7 115.1(4) . . ?
C6 C7 C26 111.7(5) . . ?
C6 C7 C25A 108.7(6) . . ?
C24 C7 C6 106.5(7) . . ?
C24 C7 C26 103.2(9) . . ?
C25 C7 C6 107.3(6) . . ?
C25 C7 C24 116.1(11) . . ?
C25 C7 C26 111.9(9) . . ?
C24A C7 C6 111.1(6) . . ?
C24A C7 C25A 103.9(10) . . ?
C26A C7 C6 108.8(8) . . ?
C26A C7 C24A 116.3(13) . . ?
C26A C7 C25A 107.6(12) . . ?
C31A C8 C9 113.3(5) . . ?
C32A C8 C9 107.6(6) . . ?
C32A C8 C31A 109.6(9) . . ?
C33A C8 C9 110.2(5) . . ?
C33A C8 C31A 108.0(9) . . ?
C33A C8 C32A 108.1(11) . . ?
C10 C9 C8 120.5(4) . . ?
O3 C9 C8 115.5(4) . . ?
O3 C9 C10 124.0(4) . . ?
C11 C10 C9 124.6(4) . . ?
C10 C11 C12 121.5(4) . . ?
O4 C11 C10 123.4(4) . . ?
O4 C11 C12 115.1(3) . . ?
C34 C12 C11 114.1(4) . . ?
C35 C12 C11 109.0(5) . . ?
C35 C12 C34 107.4(7) . . ?
C36 C12 C11 107.4(5) . . ?
C36 C12 C34 110.6(7) . . ?
C36 C12 C35 108.3(9) . . ?
C41 C13 C14 109.8(5) . . ?
C42 C13 C14 108.4(5) . . ?
C42 C13 C41 104.9(10) . . ?
C42 C13 C43 106.5(10) . . ?
C43 C13 C14 114.7(6) . . ?
C43 C13 C41 112.0(9) . . ?
C15 C14 C13 120.6(4) . . ?
O5 C14 C13 115.3(4) . . ?
O5 C14 C15 124.1(4) . . ?
C16 C15 C14 124.7(4) . . ?
C15 C16 C17 120.9(4) . . ?
O6 C16 C15 123.6(4) . . ?
O6 C16 C17 115.4(4) . . ?
C44 C17 C16 114.3(5) . . ?
C44 C17 C45 108.6(8) . . ?
C45 C17 C16 106.7(5) . . ?
C46 C17 C16 110.2(5) . . ?
C46 C17 C44 108.3(8) . . ?
C46 C17 C45 108.6(9) . . ?
C4 O1 Dy1 136.0(3) . . ?
C6 O2 Dy1 137.2(3) . . ?
C9 O3 Dy1 136.5(3) . . ?
C11 O4 Dy1 139.7(3) . . ?
C14 O5 Dy1 134.9(3) . . ?
C16 O6 Dy1 134.8(3) . . ?
C1 O7 Dy1 134.4(5) . . ?
C2 O8 Dy1 134.2(4) . . ?
O1 Dy1 O3 78.26(11) . . ?
O1 Dy1 O5 144.49(10) . . ?
O1 Dy1 O6 82.75(11) . . ?
O1 Dy1 O7 76.63(14) . . ?
O1 Dy1 O8 142.87(14) . . ?
O2 Dy1 O1 73.17(11) . . ?
O2 Dy1 O3 124.28(11) . . ?
O2 Dy1 O4 79.65(11) . . ?
O2 Dy1 O5 79.98(12) . . ?
O2 Dy1 O6 84.98(12) . . ?
O2 Dy1 O7 144.17(13) . . ?
O2 Dy1 O8 143.95(14) . . ?
O3 Dy1 O7 66.10(13) . . ?
O3 Dy1 O8 77.04(13) . . ?
O4 Dy1 O1 116.31(11) . . ?
O4 Dy1 O3 71.74(10) . . ?
O4 Dy1 O5 80.21(11) . . ?
O4 Dy1 O6 150.18(10) . . ?
O4 Dy1 O7 132.02(12) . . ?
O4 Dy1 O8 81.23(13) . . ?
O5 Dy1 O3 136.99(11) . . ?
O5 Dy1 O7 116.95(15) . . ?
O5 Dy1 O8 66.81(14) . . ?
O6 Dy1 O3 137.25(10) . . ?
O6 Dy1 O5 72.00(11) . . ?
O6 Dy1 O7 72.41(13) . . ?
O6 Dy1 O8 97.17(13) . . ?
O7 Dy1 O8 68.18(16) . . ?

_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_4
_database_code_depnum_ccdc_archive 'CCDC 1405307'
_audit_update_record             
;
2018-03-28 deposited with the CCDC.
2018-03-29 downloaded from the CCDC.
;
_audit_creation_date             2018-03-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C51 H68 Dy N4 O6'
_chemical_formula_sum            'C51 H68 Dy N4 O6'
_chemical_formula_weight         995.59
_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'

_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                   10.928(5)
_cell_length_b                   12.363(5)
_cell_length_c                   21.554(5)
_cell_angle_alpha                96.749(5)
_cell_angle_beta                 102.977(5)
_cell_angle_gamma                110.251(5)
_cell_volume                     2600.8(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4828
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.4769
_cell_measurement_theta_min      3.0630
_shelx_estimated_absorpt_T_max   0.866
_shelx_estimated_absorpt_T_min   0.842
_exptl_absorpt_coefficient_mu    1.484
_exptl_absorpt_correction_T_max  0.837
_exptl_absorpt_correction_T_min  0.837
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_unetI/netI     0.1026
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            21896
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         3.069
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  MoKα
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7057
_reflns_number_total             11926
_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       ?
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         11926
_refine_ls_number_restraints     424
_refine_ls_R_factor_all          0.1175
_refine_ls_R_factor_gt           0.0619
_refine_ls_restrained_S_all      1.025
_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)+(0.0313P)²+0.9416P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0976
_refine_ls_wR_factor_ref         0.1183
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C21-C43A \\sim C43-C21 \\sim C42A-C21 \\sim C41-C21 \\sim C41A-C21 \\sim
C42-C21
 with sigma of 0.02
 C30-C54A \\sim C54-C30 \\sim C56A-C30 \\sim C55-C30 \\sim C55A-C30 \\sim
C56-C30
 with sigma of 0.02
3. Rigid bond restraints
 C16, H16, C17, C18, C22, C23
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C43A, C43, C42A, C41, C41A, C42, C21
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C54A, C54, C56A, C55, C55A, C56, C30
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C16 \\sim H16 \\sim C17 \\sim C18 \\sim C22 \\sim C23: within 3.8A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C43A \\sim C43 \\sim C42A \\sim C41 \\sim C41A \\sim C42 \\sim C21: within 3.8A
with sigma of 0.04 and sigma for terminal atoms of 0.08
C54A \\sim C54 \\sim C56A \\sim C55 \\sim C55A \\sim C56 \\sim C30: within 3.8A
with sigma of 0.04 and sigma for terminal atoms of 0.08
5. Rigid body (RIGU) restrains
 C43A, C43, C42A, C41, C41A, C42, C21
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C54A, C54, C56A, C55, C55A, C56, C30
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C41(0.5) H41A(0.5) H41B(0.5) H41C(0.5) C42(0.5) H42A(0.5)
 H42B(0.5) H42C(0.5) C43(0.5) H43A(0.5) H43B(0.5) H43C(0.5) C41A(0.5) H41D(0.5)
 H41E(0.5) H41F(0.5) C42A(0.5) H42D(0.5) H42E(0.5) H42F(0.5) C43A(0.5)
 H43D(0.5) H43E(0.5) H43F(0.5) C54(0.5) H54A(0.5) H54B(0.5) H54C(0.5) C55(0.5)
 H55A(0.5) H55B(0.5) H55C(0.5) C56(0.5) H56A(0.5) H56B(0.5) H56C(0.5) C54A(0.5)
 H54D(0.5) H54E(0.5) H54F(0.5) C55A(0.5) H55D(0.5) H55E(0.5) H55F(0.5)
 C56A(0.5) H56D(0.5) H56E(0.5) H56F(0.5)
7.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C8(H8), C9(H9), C10(H10), C15(H15), C16(H16),
 C17(H17), C18(H18), C23(H23), C28(H28), C33(H33), N4(H4)
7.b Idealised Me refined as rotating group:
 C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C41A(H41D,H41E,
 H41F), C42A(H42D,H42E,H42F), C43A(H43D,H43E,H43F), C44(H44A,H44B,H44C),
 C45(H45A,H45B,H45C), C46(H46A,H46B,H46C), C51(H51A,H51B,H51C), C52(H52A,H52B,
 H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,
 H56B,H56C), C54A(H54D,H54E,H54F), C55A(H55D,H55E,H55F), C56A(H56D,H56E,H56F),
 C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C64(H64A,H64B,
 H64C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
C1 C 0.5048(7) 0.1726(5) 0.1626(3) 0.0765(18) Uani 1 1 d . . . . .
H1 H 0.596283 0.219626 0.181865 0.092 Uiso 1 1 calc R . . . .
C2 C 0.4712(9) 0.0663(6) 0.1194(4) 0.096(2) Uani 1 1 d . . . . .
H2 H 0.538520 0.043089 0.110001 0.116 Uiso 1 1 calc R . . . .
C3 C 0.3374(10) -0.0022(6) 0.0916(4) 0.095(2) Uani 1 1 d . . . . .
H3 H 0.312051 -0.073343 0.062627 0.114 Uiso 1 1 calc R . . . .
C4 C 0.2386(8) 0.0338(5) 0.1065(3) 0.0758(19) Uani 1 1 d . . . . .
C5 C 0.2800(6) 0.1423(5) 0.1497(3) 0.0631(16) Uani 1 1 d . . . . .
C6 C 0.1836(6) 0.1886(5) 0.1634(3) 0.0638(16) Uani 1 1 d . . . . .
C7 C 0.0435(7) 0.1231(6) 0.1357(3) 0.0757(19) Uani 1 1 d . . . . .
C8 C -0.0432(7) 0.1728(7) 0.1499(4) 0.102(3) Uani 1 1 d . . . . .
H8 H -0.136599 0.131405 0.132542 0.123 Uiso 1 1 calc R . . . .
C9 C 0.0049(8) 0.2823(7) 0.1892(4) 0.109(3) Uani 1 1 d . . . . .
H9 H -0.053951 0.316813 0.198680 0.131 Uiso 1 1 calc R . . . .
C10 C 0.1448(7) 0.3402(6) 0.2144(4) 0.086(2) Uani 1 1 d . . . . .
H10 H 0.178252 0.414902 0.241102 0.103 Uiso 1 1 calc R . . . .
C11 C -0.0010(8) 0.0069(6) 0.0931(3) 0.090(3) Uani 1 1 d . . . . .
C12 C 0.0950(9) -0.0359(6) 0.0789(3) 0.088(2) Uani 1 1 d . . . . .
C13 C -0.1733(12) -0.1592(9) 0.0273(5) 0.138(5) Uani 1 1 d . . . . .
C14 C -0.0782(14) -0.2009(8) 0.0139(5) 0.132(5) Uani 1 1 d . . . . .
C15 C -0.1256(12) -0.3122(7) -0.0304(4) 0.174(6) Uani 1 1 d . . . . .
H15 H -0.064778 -0.342833 -0.041317 0.208 Uiso 1 1 calc R . . . .
C16 C -0.2623(17) -0.3719(12) -0.0560(7) 0.204(7) Uani 1 1 d . U . . .
H16 H -0.293411 -0.444731 -0.084336 0.211(17) Uani 1 1 calc R U . . .
C17 C -0.3577(15) -0.3297(12) -0.0421(7) 0.195(7) Uani 1 1 d . U . . .
H17 H -0.449784 -0.374030 -0.061713 0.233 Uiso 1 1 calc R . . . .
C18 C -0.3181(10) -0.2237(8) 0.0002(4) 0.170(5) Uani 1 1 d . U . . .
H18 H -0.380900 -0.195206 0.010693 0.204 Uiso 1 1 calc R . . . .
C21 C 0.3403(7) 0.5889(6) 0.4194(4) 0.090(2) Uani 1 1 d D U . . .
C22 C 0.4423(6) 0.5685(5) 0.3857(3) 0.0627(15) Uani 1 1 d . U . . .
C23 C 0.5787(6) 0.6492(5) 0.4067(3) 0.0715(17) Uani 1 1 d . U . . .
H23 H 0.601788 0.714480 0.439781 0.086 Uiso 1 1 calc R . . . .
C24 C 0.6799(5) 0.6382(4) 0.3819(3) 0.0539(14) Uani 1 1 d . . . . .
C25 C 0.8271(6) 0.7305(5) 0.4066(3) 0.0683(17) Uani 1 1 d . . . . .
C26 C 0.8085(7) 0.5545(7) 0.1652(4) 0.089(2) Uani 1 1 d . . . . .
C27 C 0.6770(6) 0.5377(5) 0.1835(3) 0.0654(16) Uani 1 1 d . . . . .
C28 C 0.6170(7) 0.6200(5) 0.1777(3) 0.0778(19) Uani 1 1 d . . . . .
H28 H 0.660884 0.686268 0.162752 0.093 Uiso 1 1 calc R . . . .
C29 C 0.4988(7) 0.6116(5) 0.1923(3) 0.0660(16) Uani 1 1 d . . . . .
C30 C 0.4404(8) 0.7086(6) 0.1824(5) 0.107(2) Uani 1 1 d D U . . .
C31 C 0.2635(6) 0.0573(5) 0.3423(3) 0.0726(18) Uani 1 1 d . . . . .
C32 C 0.3871(6) 0.1498(5) 0.3304(3) 0.0607(15) Uani 1 1 d . . . . .
C33 C 0.5116(6) 0.1378(5) 0.3436(3) 0.0689(17) Uani 1 1 d . . . . .
H33 H 0.516836 0.072036 0.359187 0.083 Uiso 1 1 calc R . . . .
C34 C 0.6285(5) 0.2182(5) 0.3351(3) 0.0564(14) Uani 1 1 d . . . . .
C35 C 0.7636(6) 0.2028(6) 0.3555(4) 0.079(2) Uani 1 1 d . . . . .
C41 C 0.395(2) 0.698(2) 0.4718(13) 0.186(10) Uani 0.5 1 d D U P A 1
H41A H 0.450722 0.686965 0.509832 0.279 Uiso 0.5 1 calc GR . P A 1
H41B H 0.320341 0.712529 0.482342 0.279 Uiso 0.5 1 calc GR . P A 1
H41C H 0.447898 0.763559 0.456901 0.279 Uiso 0.5 1 calc GR . P A 1
C42 C 0.227(2) 0.595(3) 0.3667(9) 0.143(6) Uani 0.5 1 d D U P A 1
H42A H 0.263965 0.658083 0.345511 0.215 Uiso 0.5 1 calc GR . P A 1
H42B H 0.161447 0.610111 0.385773 0.215 Uiso 0.5 1 calc GR . P A 1
H42C H 0.183589 0.521863 0.335227 0.215 Uiso 0.5 1 calc GR . P A 1
C43 C 0.278(2) 0.4780(16) 0.4433(12) 0.134(6) Uani 0.5 1 d D U P A 1
H43A H 0.242366 0.410762 0.407741 0.201 Uiso 0.5 1 calc GR . P A 1
H43B H 0.206118 0.483090 0.460489 0.201 Uiso 0.5 1 calc GR . P A 1
H43C H 0.346655 0.469663 0.476882 0.201 Uiso 0.5 1 calc GR . P A 1
C41A C 0.339(3) 0.7102(15) 0.4160(14) 0.136(6) Uani 0.5 1 d D U P A 2
H41D H 0.430078 0.768494 0.433259 0.204 Uiso 0.5 1 calc GR . P A 2
H41E H 0.282730 0.726218 0.441206 0.204 Uiso 0.5 1 calc GR . P A 2
H41F H 0.303517 0.712834 0.371494 0.204 Uiso 0.5 1 calc GR . P A 2
C42A C 0.3907(19) 0.595(2) 0.4923(7) 0.121(5) Uani 0.5 1 d D U P A 2
H42D H 0.394610 0.521110 0.499046 0.181 Uiso 0.5 1 calc GR . P A 2
H42E H 0.329284 0.612375 0.513700 0.181 Uiso 0.5 1 calc GR . P A 2
H42F H 0.479756 0.656610 0.509927 0.181 Uiso 0.5 1 calc GR . P A 2
C43A C 0.2000(15) 0.500(2) 0.3908(13) 0.168(9) Uani 0.5 1 d D U P A 2
H43D H 0.169230 0.501777 0.345606 0.251 Uiso 0.5 1 calc GR . P A 2
H43E H 0.141159 0.518669 0.413566 0.251 Uiso 0.5 1 calc GR . P A 2
H43F H 0.198415 0.423414 0.394580 0.251 Uiso 0.5 1 calc GR . P A 2
C44 C 0.8524(7) 0.7967(7) 0.3534(4) 0.140(4) Uani 1 1 d . . . . .
H44A H 0.835479 0.741938 0.314008 0.210 Uiso 1 1 calc GR . . . .
H44B H 0.945098 0.852037 0.366142 0.210 Uiso 1 1 calc GR . . . .
H44C H 0.792548 0.838281 0.346149 0.210 Uiso 1 1 calc GR . . . .
C45 C 0.8527(8) 0.8187(7) 0.4680(5) 0.143(4) Uani 1 1 d . . . . .
H45A H 0.798380 0.864687 0.458773 0.214 Uiso 1 1 calc GR . . . .
H45B H 0.947173 0.869952 0.482902 0.214 Uiso 1 1 calc GR . . . .
H45C H 0.828548 0.777282 0.501236 0.214 Uiso 1 1 calc GR . . . .
C46 C 0.9227(6) 0.6682(6) 0.4207(5) 0.126(3) Uani 1 1 d . . . . .
H46A H 0.903620 0.624880 0.453888 0.189 Uiso 1 1 calc GR . . . .
H46B H 1.014734 0.725026 0.435429 0.189 Uiso 1 1 calc GR . . . .
H46C H 0.910883 0.614600 0.381726 0.189 Uiso 1 1 calc GR . . . .
C51 C 0.9115(8) 0.5449(8) 0.2234(4) 0.125(3) Uani 1 1 d . . . . .
H51A H 0.926580 0.603381 0.260811 0.188 Uiso 1 1 calc GR . . . .
H51B H 0.995857 0.557618 0.213153 0.188 Uiso 1 1 calc GR . . . .
H51C H 0.876728 0.467749 0.232585 0.188 Uiso 1 1 calc GR . . . .
C52 C 0.7778(10) 0.4572(9) 0.1083(5) 0.161(4) Uani 1 1 d . . . . .
H52A H 0.728148 0.382721 0.117132 0.241 Uiso 1 1 calc GR . . . .
H52B H 0.861511 0.457138 0.101247 0.241 Uiso 1 1 calc GR . . . .
H52C H 0.724284 0.469621 0.069982 0.241 Uiso 1 1 calc GR . . . .
C53 C 0.8752(8) 0.6743(8) 0.1494(5) 0.148(4) Uani 1 1 d . . . . .
H53A H 0.820131 0.679043 0.109092 0.223 Uiso 1 1 calc GR . . . .
H53B H 0.963797 0.683467 0.145325 0.223 Uiso 1 1 calc GR . . . .
H53C H 0.883778 0.735732 0.183723 0.223 Uiso 1 1 calc GR . . . .
C54 C 0.5516(16) 0.8257(12) 0.2123(13) 0.140(7) Uani 0.5 1 d D U P B 3
H54A H 0.588399 0.829977 0.257744 0.210 Uiso 0.5 1 calc GR . P B 3
H54B H 0.516491 0.886416 0.207372 0.210 Uiso 0.5 1 calc GR . P B 3
H54C H 0.622013 0.836602 0.190967 0.210 Uiso 0.5 1 calc GR . P B 3
C55 C 0.399(3) 0.708(2) 0.1096(8) 0.150(7) Uani 0.5 1 d D U P B 3
H55A H 0.478221 0.750067 0.096929 0.225 Uiso 0.5 1 calc GR . P B 3
H55B H 0.335538 0.746181 0.101301 0.225 Uiso 0.5 1 calc GR . P B 3
H55C H 0.357236 0.628356 0.085016 0.225 Uiso 0.5 1 calc GR . P B 3
C56 C 0.3109(18) 0.680(3) 0.2036(13) 0.149(7) Uani 0.5 1 d D U P B 3
H56A H 0.253727 0.598117 0.186503 0.223 Uiso 0.5 1 calc GR . P B 3
H56B H 0.263362 0.727792 0.187278 0.223 Uiso 0.5 1 calc GR . P B 3
H56C H 0.333828 0.696039 0.250309 0.223 Uiso 0.5 1 calc GR . P B 3
C54A C 0.485(3) 0.791(2) 0.2492(9) 0.175(8) Uani 0.5 1 d D U P B 4
H54D H 0.435028 0.750681 0.276774 0.262 Uiso 0.5 1 calc GR . P B 4
H54E H 0.467159 0.860293 0.244199 0.262 Uiso 0.5 1 calc GR . P B 4
H54F H 0.580497 0.812071 0.268546 0.262 Uiso 0.5 1 calc GR . P B 4
C55A C 0.2862(14) 0.655(3) 0.1586(13) 0.164(9) Uani 0.5 1 d D U P B 4
H55D H 0.257314 0.607732 0.115500 0.246 Uiso 0.5 1 calc GR . P B 4
H55E H 0.252479 0.717511 0.157834 0.246 Uiso 0.5 1 calc GR . P B 4
H55F H 0.251214 0.607358 0.187453 0.246 Uiso 0.5 1 calc GR . P B 4
C56A C 0.488(3) 0.770(3) 0.1291(13) 0.183(9) Uani 0.5 1 d D U P B 4
H56D H 0.579837 0.826522 0.147196 0.275 Uiso 0.5 1 calc GR . P B 4
H56E H 0.429665 0.808498 0.112564 0.275 Uiso 0.5 1 calc GR . P B 4
H56F H 0.485255 0.711622 0.094366 0.275 Uiso 0.5 1 calc GR . P B 4
C61 C 0.1571(10) 0.1026(9) 0.3440(7) 0.219(7) Uani 1 1 d . . . . .
H61A H 0.193597 0.174272 0.376670 0.329 Uiso 1 1 calc GR . . . .
H61B H 0.083516 0.045133 0.354276 0.329 Uiso 1 1 calc GR . . . .
H61C H 0.124165 0.118285 0.302234 0.329 Uiso 1 1 calc GR . . . .
C62 C 0.2094(10) -0.0465(8) 0.2871(5) 0.206(6) Uani 1 1 d . . . . .
H62A H 0.164811 -0.027792 0.248621 0.309 Uiso 1 1 calc GR . . . .
H62B H 0.145344 -0.112307 0.297598 0.309 Uiso 1 1 calc GR . . . .
H62C H 0.282951 -0.066537 0.279569 0.309 Uiso 1 1 calc GR . . . .
C63 C 0.2997(8) 0.0166(9) 0.4037(5) 0.174(5) Uani 1 1 d . . . . .
H63A H 0.359538 -0.023761 0.400204 0.261 Uiso 1 1 calc GR . . . .
H63B H 0.218418 -0.036205 0.410852 0.261 Uiso 1 1 calc GR . . . .
H63C H 0.344315 0.083428 0.439639 0.261 Uiso 1 1 calc GR . . . .
C64 C 0.7631(8) 0.1093(7) 0.3943(5) 0.145(4) Uani 1 1 d . . . . .
H64A H 0.733413 0.124768 0.431819 0.218 Uiso 1 1 calc GR . . . .
H64B H 0.853285 0.110033 0.408013 0.218 Uiso 1 1 calc GR . . . .
H64C H 0.702220 0.033398 0.367690 0.218 Uiso 1 1 calc GR . . . .
C65 C 0.8035(10) 0.1760(12) 0.2955(5) 0.203(6) Uani 1 1 d . . . . .
H65A H 0.741088 0.099576 0.270094 0.304 Uiso 1 1 calc GR . . . .
H65B H 0.893852 0.176566 0.307466 0.304 Uiso 1 1 calc GR . . . .
H65C H 0.801241 0.234596 0.270183 0.304 Uiso 1 1 calc GR . . . .
C66 C 0.8700(7) 0.3186(7) 0.3973(5) 0.166(5) Uani 1 1 d . . . . .
H66A H 0.890395 0.375601 0.370629 0.249 Uiso 1 1 calc GR . . . .
H66B H 0.951173 0.307098 0.417244 0.249 Uiso 1 1 calc GR . . . .
H66C H 0.836004 0.346503 0.430564 0.249 Uiso 1 1 calc GR . . . .
Dy1 Dy 0.48624(3) 0.39369(2) 0.27039(2) 0.05466(11) Uani 1 1 d . . . . .
N1 N 0.4138(5) 0.2091(4) 0.1772(2) 0.0634(13) Uani 1 1 d . . . . .
N2 N 0.2328(5) 0.2967(4) 0.2030(2) 0.0653(13) Uani 1 1 d . . . . .
N3 N 0.0559(8) -0.1400(5) 0.0392(3) 0.115(3) Uani 1 1 d . . . . .
N4 N -0.1335(6) -0.0538(6) 0.0677(3) 0.116(3) Uani 1 1 d . . . . .
H4 H -0.191859 -0.027019 0.076726 0.139 Uiso 1 1 calc R . . . .
O1 O 0.3987(4) 0.4783(3) 0.3413(2) 0.0662(11) Uani 1 1 d . . . . .
O2 O 0.6623(3) 0.5541(3) 0.33738(19) 0.0623(10) Uani 1 1 d . . . . .
O3 O 0.6274(4) 0.4446(3) 0.20326(19) 0.0669(11) Uani 1 1 d . . . . .
O4 O 0.4318(4) 0.5299(3) 0.21561(19) 0.0647(11) Uani 1 1 d . . . . .
O5 O 0.3690(3) 0.2349(3) 0.3103(2) 0.0656(11) Uani 1 1 d . . . . .
O6 O 0.6337(3) 0.3068(3) 0.31032(19) 0.0634(10) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1 0.9300 . ?
C1 C2 1.397(9) . ?
C1 N1 1.307(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.358(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.386(9) . ?
C4 C5 1.404(8) . ?
C4 C12 1.444(9) . ?
C5 C6 1.427(8) . ?
C5 N1 1.353(7) . ?
C6 C7 1.405(8) . ?
C6 N2 1.354(7) . ?
C7 C8 1.363(10) . ?
C7 C11 1.466(10) . ?
C8 H8 0.9300 . ?
C8 C9 1.366(10) . ?
C9 H9 0.9300 . ?
C9 C10 1.387(9) . ?
C10 H10 0.9300 . ?
C10 N2 1.306(7) . ?
C11 C12 1.401(10) . ?
C11 N4 1.325(8) . ?
C12 N3 1.329(8) . ?
C13 C14 1.379(14) . ?
C13 C18 1.443(13) . ?
C13 N4 1.348(12) . ?
C14 C15 1.431(13) . ?
C14 N3 1.338(12) . ?
C15 H15 0.9300 . ?
C15 C16 1.360(16) . ?
C16 H16 0.9300 . ?
C16 C17 1.39(2) . ?
C17 H17 0.9300 . ?
C17 C18 1.373(16) . ?
C18 H18 0.9300 . ?
C21 C22 1.531(8) . ?
C21 C41 1.492(12) . ?
C21 C42 1.513(12) . ?
C21 C43 1.513(12) . ?
C21 C41A 1.514(12) . ?
C21 C42A 1.527(12) . ?
C21 C43A 1.478(12) . ?
C22 C23 1.409(7) . ?
C22 O1 1.251(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.372(7) . ?
C24 C25 1.542(7) . ?
C24 O2 1.258(6) . ?
C25 C44 1.506(9) . ?
C25 C45 1.517(9) . ?
C25 C46 1.499(9) . ?
C26 C27 1.526(8) . ?
C26 C51 1.532(9) . ?
C26 C52 1.502(11) . ?
C26 C53 1.525(9) . ?
C27 C28 1.391(8) . ?
C27 O3 1.260(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.370(8) . ?
C29 C30 1.554(8) . ?
C29 O4 1.258(6) . ?
C30 C54 1.483(12) . ?
C30 C55 1.532(13) . ?
C30 C56 1.523(13) . ?
C30 C54A 1.528(13) . ?
C30 C55A 1.517(13) . ?
C30 C56A 1.537(13) . ?
C31 C32 1.534(7) . ?
C31 C61 1.461(9) . ?
C31 C62 1.487(10) . ?
C31 C63 1.490(9) . ?
C32 C33 1.389(7) . ?
C32 O5 1.243(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.387(7) . ?
C34 C35 1.528(7) . ?
C34 O6 1.263(6) . ?
C35 C64 1.502(9) . ?
C35 C65 1.493(10) . ?
C35 C66 1.512(10) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C41A H41D 0.9600 . ?
C41A H41E 0.9600 . ?
C41A H41F 0.9600 . ?
C42A H42D 0.9600 . ?
C42A H42E 0.9600 . ?
C42A H42F 0.9600 . ?
C43A H43D 0.9600 . ?
C43A H43E 0.9600 . ?
C43A H43F 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C54A H54D 0.9600 . ?
C54A H54E 0.9600 . ?
C54A H54F 0.9600 . ?
C55A H55D 0.9600 . ?
C55A H55E 0.9600 . ?
C55A H55F 0.9600 . ?
C56A H56D 0.9600 . ?
C56A H56E 0.9600 . ?
C56A H56F 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
Dy1 N1 2.613(5) . ?
Dy1 N2 2.589(5) . ?
Dy1 O1 2.306(4) . ?
Dy1 O2 2.271(4) . ?
Dy1 O3 2.327(4) . ?
Dy1 O4 2.330(4) . ?
Dy1 O5 2.320(3) . ?
Dy1 O6 2.298(4) . ?
N4 H4 0.8600 . ?

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
C2 C1 H1 118.4 . . ?
N1 C1 H1 118.4 . . ?
N1 C1 C2 123.2(7) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 C1 118.1(8) . . ?
C3 C2 H2 120.9 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0(7) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 118.7(7) . . ?
C3 C4 C12 122.4(7) . . ?
C5 C4 C12 118.9(7) . . ?
C4 C5 C6 121.5(6) . . ?
N1 C5 C4 120.4(6) . . ?
N1 C5 C6 118.0(5) . . ?
C7 C6 C5 120.2(6) . . ?
N2 C6 C5 117.5(5) . . ?
N2 C6 C7 122.2(6) . . ?
C6 C7 C11 118.7(7) . . ?
C8 C7 C6 117.4(7) . . ?
C8 C7 C11 123.9(7) . . ?
C7 C8 H8 119.5 . . ?
C7 C8 C9 121.0(7) . . ?
C9 C8 H8 119.5 . . ?
C8 C9 H9 121.3 . . ?
C8 C9 C10 117.4(8) . . ?
C10 C9 H9 121.3 . . ?
C9 C10 H10 117.9 . . ?
N2 C10 C9 124.3(7) . . ?
N2 C10 H10 117.9 . . ?
C12 C11 C7 120.4(6) . . ?
N4 C11 C7 117.8(9) . . ?
N4 C11 C12 121.8(8) . . ?
C11 C12 C4 120.2(7) . . ?
N3 C12 C4 118.8(9) . . ?
N3 C12 C11 120.9(8) . . ?
C14 C13 C18 123.2(12) . . ?
N4 C13 C14 120.4(10) . . ?
N4 C13 C18 116.4(13) . . ?
C13 C14 C15 118.2(12) . . ?
N3 C14 C13 122.6(10) . . ?
N3 C14 C15 119.2(12) . . ?
C14 C15 H15 120.9 . . ?
C16 C15 C14 118.1(14) . . ?
C16 C15 H15 120.9 . . ?
C15 C16 H16 118.3 . . ?
C15 C16 C17 123.4(15) . . ?
C17 C16 H16 118.3 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(15) . . ?
C18 C17 H17 119.5 . . ?
C13 C18 H18 122.0 . . ?
C17 C18 C13 116.0(13) . . ?
C17 C18 H18 122.0 . . ?
C41 C21 C22 116.0(10) . . ?
C41 C21 C42 108.5(15) . . ?
C41 C21 C43 112.5(15) . . ?
C42 C21 C22 106.6(9) . . ?
C43 C21 C22 106.5(8) . . ?
C43 C21 C42 106.3(12) . . ?
C41A C21 C22 109.7(10) . . ?
C41A C21 C42A 103.7(12) . . ?
C42A C21 C22 109.5(8) . . ?
C43A C21 C22 113.6(9) . . ?
C43A C21 C41A 108.5(15) . . ?
C43A C21 C42A 111.4(14) . . ?
C23 C22 C21 119.2(6) . . ?
O1 C22 C21 117.1(5) . . ?
O1 C22 C23 123.6(6) . . ?
C22 C23 H23 117.7 . . ?
C24 C23 C22 124.5(6) . . ?
C24 C23 H23 117.7 . . ?
C23 C24 C25 121.9(5) . . ?
O2 C24 C23 124.1(5) . . ?
O2 C24 C25 114.0(5) . . ?
C44 C25 C24 107.1(5) . . ?
C44 C25 C45 108.4(6) . . ?
C45 C25 C24 113.3(5) . . ?
C46 C25 C24 109.0(5) . . ?
C46 C25 C44 110.6(6) . . ?
C46 C25 C45 108.4(6) . . ?
C27 C26 C51 108.4(6) . . ?
C52 C26 C27 108.2(6) . . ?
C52 C26 C51 109.1(7) . . ?
C52 C26 C53 110.2(7) . . ?
C53 C26 C27 114.2(6) . . ?
C53 C26 C51 106.7(7) . . ?
C28 C27 C26 121.5(6) . . ?
O3 C27 C26 115.4(5) . . ?
O3 C27 C28 123.2(6) . . ?
C27 C28 H28 117.3 . . ?
C29 C28 C27 125.5(6) . . ?
C29 C28 H28 117.3 . . ?
C28 C29 C30 120.6(6) . . ?
O4 C29 C28 124.2(5) . . ?
O4 C29 C30 115.1(6) . . ?
C54 C30 C29 108.6(9) . . ?
C54 C30 C55 104.7(14) . . ?
C54 C30 C56 117.8(15) . . ?
C55 C30 C29 109.1(12) . . ?
C56 C30 C29 110.2(12) . . ?
C56 C30 C55 106.1(14) . . ?
C54A C30 C29 106.5(10) . . ?
C54A C30 C56A 114.7(15) . . ?
C55A C30 C29 111.2(14) . . ?
C55A C30 C54A 108.9(16) . . ?
C55A C30 C56A 106.1(15) . . ?
C56A C30 C29 109.7(12) . . ?
C61 C31 C32 111.1(5) . . ?
C61 C31 C62 108.8(8) . . ?
C61 C31 C63 109.2(8) . . ?
C62 C31 C32 107.3(6) . . ?
C62 C31 C63 107.8(7) . . ?
C63 C31 C32 112.5(6) . . ?
C33 C32 C31 120.2(5) . . ?
O5 C32 C31 116.3(5) . . ?
O5 C32 C33 123.4(5) . . ?
C32 C33 H33 118.1 . . ?
C34 C33 C32 123.9(5) . . ?
C34 C33 H33 118.1 . . ?
C33 C34 C35 120.4(5) . . ?
O6 C34 C33 124.7(5) . . ?
O6 C34 C35 115.0(5) . . ?
C64 C35 C34 115.1(5) . . ?
C64 C35 C66 107.3(7) . . ?
C65 C35 C34 108.1(6) . . ?
C65 C35 C64 109.6(7) . . ?
C65 C35 C66 108.4(8) . . ?
C66 C35 C34 108.1(6) . . ?
C21 C41 H41A 109.5 . . ?
C21 C41 H41B 109.5 . . ?
C21 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C21 C42 H42A 109.5 . . ?
C21 C42 H42B 109.5 . . ?
C21 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C21 C43 H43A 109.5 . . ?
C21 C43 H43B 109.5 . . ?
C21 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C21 C41A H41D 109.5 . . ?
C21 C41A H41E 109.5 . . ?
C21 C41A H41F 109.5 . . ?
H41D C41A H41E 109.5 . . ?
H41D C41A H41F 109.5 . . ?
H41E C41A H41F 109.5 . . ?
C21 C42A H42D 109.5 . . ?
C21 C42A H42E 109.5 . . ?
C21 C42A H42F 109.5 . . ?
H42D C42A H42E 109.5 . . ?
H42D C42A H42F 109.5 . . ?
H42E C42A H42F 109.5 . . ?
C21 C43A H43D 109.5 . . ?
C21 C43A H43E 109.5 . . ?
C21 C43A H43F 109.5 . . ?
H43D C43A H43E 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C25 C44 H44A 109.5 . . ?
C25 C44 H44B 109.5 . . ?
C25 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C25 C45 H45A 109.5 . . ?
C25 C45 H45B 109.5 . . ?
C25 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C25 C46 H46A 109.5 . . ?
C25 C46 H46B 109.5 . . ?
C25 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C26 C51 H51A 109.5 . . ?
C26 C51 H51B 109.5 . . ?
C26 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C26 C52 H52A 109.5 . . ?
C26 C52 H52B 109.5 . . ?
C26 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C26 C53 H53A 109.5 . . ?
C26 C53 H53B 109.5 . . ?
C26 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C30 C54 H54A 109.5 . . ?
C30 C54 H54B 109.5 . . ?
C30 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C30 C55 H55A 109.5 . . ?
C30 C55 H55B 109.5 . . ?
C30 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C30 C56 H56A 109.5 . . ?
C30 C56 H56B 109.5 . . ?
C30 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C30 C54A H54D 109.5 . . ?
C30 C54A H54E 109.5 . . ?
C30 C54A H54F 109.5 . . ?
H54D C54A H54E 109.5 . . ?
H54D C54A H54F 109.5 . . ?
H54E C54A H54F 109.5 . . ?
C30 C55A H55D 109.5 . . ?
C30 C55A H55E 109.5 . . ?
C30 C55A H55F 109.5 . . ?
H55D C55A H55E 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
C30 C56A H56D 109.5 . . ?
C30 C56A H56E 109.5 . . ?
C30 C56A H56F 109.5 . . ?
H56D C56A H56E 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?
C31 C61 H61A 109.5 . . ?
C31 C61 H61B 109.5 . . ?
C31 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C31 C62 H62A 109.5 . . ?
C31 C62 H62B 109.5 . . ?
C31 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C31 C63 H63A 109.5 . . ?
C31 C63 H63B 109.5 . . ?
C31 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C35 C64 H64A 109.5 . . ?
C35 C64 H64B 109.5 . . ?
C35 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C35 C65 H65A 109.5 . . ?
C35 C65 H65B 109.5 . . ?
C35 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C35 C66 H66A 109.5 . . ?
C35 C66 H66B 109.5 . . ?
C35 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N2 Dy1 N1 62.25(16) . . ?
O1 Dy1 N1 140.83(15) . . ?
O1 Dy1 N2 82.16(15) . . ?
O1 Dy1 O3 140.73(13) . . ?
O1 Dy1 O4 78.27(14) . . ?
O1 Dy1 O5 77.35(13) . . ?
O2 Dy1 N1 145.76(15) . . ?
O2 Dy1 N2 148.95(15) . . ?
O2 Dy1 O1 73.17(13) . . ?
O2 Dy1 O3 79.04(14) . . ?
O2 Dy1 O4 84.91(14) . . ?
O2 Dy1 O5 121.49(14) . . ?
O2 Dy1 O6 79.96(13) . . ?
O3 Dy1 N1 72.39(14) . . ?
O3 Dy1 N2 111.16(15) . . ?
O3 Dy1 O4 72.04(13) . . ?
O4 Dy1 N1 103.35(14) . . ?
O4 Dy1 N2 71.62(13) . . ?
O5 Dy1 N1 75.11(14) . . ?
O5 Dy1 N2 69.11(14) . . ?
O5 Dy1 O3 141.76(13) . . ?
O5 Dy1 O4 135.92(13) . . ?
O6 Dy1 N1 77.66(14) . . ?
O6 Dy1 N2 129.52(13) . . ?
O6 Dy1 O1 119.01(14) . . ?
O6 Dy1 O3 81.76(13) . . ?
O6 Dy1 O4 151.81(13) . . ?
O6 Dy1 O5 72.03(13) . . ?
C1 N1 C5 119.6(6) . . ?
C1 N1 Dy1 120.6(4) . . ?
C5 N1 Dy1 119.3(4) . . ?
C6 N2 Dy1 120.4(4) . . ?
C10 N2 C6 117.6(5) . . ?
C10 N2 Dy1 121.0(4) . . ?
C12 N3 C14 116.9(9) . . ?
C11 N4 C13 117.3(9) . . ?
C11 N4 H4 121.3 . . ?
C13 N4 H4 121.3 . . ?
C22 O1 Dy1 136.6(4) . . ?
C24 O2 Dy1 137.8(3) . . ?
C27 O3 Dy1 132.9(4) . . ?
C29 O4 Dy1 133.3(4) . . ?
C32 O5 Dy1 138.0(4) . . ?
C34 O6 Dy1 137.2(3) . . ?

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 1027793'
_audit_update_record             
;
2018-03-28 deposited with the CCDC.
2018-03-29 downloaded from the CCDC.
;
_audit_creation_date             2018-03-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C45 H65 Dy N2 O6'
_chemical_formula_sum            'C45 H65 Dy N2 O6'
_chemical_formula_weight         892.49
_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'

_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                   11.051(5)
_cell_length_b                   12.325(5)
_cell_length_c                   18.666(5)
_cell_angle_alpha                79.895(5)
_cell_angle_beta                 87.642(5)
_cell_angle_gamma                68.779(5)
_cell_volume                     2332.5(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7593
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.5436
_cell_measurement_theta_min      3.2594
_shelx_estimated_absorpt_T_max   0.756
_shelx_estimated_absorpt_T_min   0.703
_exptl_absorpt_coefficient_mu    1.646
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             926
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18706
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         3.266
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  MoKα
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9309
_reflns_number_total             10700
_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       ?
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         0.547
_refine_diff_density_min         -0.468
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         10700
_refine_ls_number_restraints     153
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0332
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0294P)²+0.7239P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0739
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C13-C31 \\sim C33A-C13 \\sim C32-C13 \\sim C32A-C13 \\sim C33-C13 \\sim
C31A-C13
 with sigma of 0.02
 C18-C42A \\sim C42-C18 \\sim C43A-C18 \\sim C43-C18 \\sim C41A-C18 \\sim
C41-C18
 with sigma of 0.02
 C23-C53A \\sim C51-C23 \\sim C51A-C23 \\sim C53-C23 \\sim C52A-C23 \\sim
C52-C23
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C31, C33A, C32, C32A, C33, C31A, C13
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C42A, C42, C43A, C43, C41A, C41, C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C53A, C51, C51A, C53, C52A, C52, C23
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Fixed Sof: C31(0.5) H31A(0.5) H31B(0.5) H31C(0.5) C32(0.5) H32A(0.5)
 H32B(0.5) H32C(0.5) C33(0.5) H33A(0.5) H33B(0.5) H33C(0.5) C31A(0.5) H31D(0.5)
 H31E(0.5) H31F(0.5) C32A(0.5) H32D(0.5) H32E(0.5) H32F(0.5) C33A(0.5)
 H33D(0.5) H33E(0.5) H33F(0.5) C41(0.5) H41A(0.5) H41B(0.5) H41C(0.5) C42(0.5)
 H42A(0.5) H42B(0.5) H42C(0.5) C43(0.5) H43A(0.5) H43B(0.5) H43C(0.5) C41A(0.5)
 H41D(0.5) H41E(0.5) H41F(0.5) C42A(0.5) H42D(0.5) H42E(0.5) H42F(0.5)
 C43A(0.5) H43D(0.5) H43E(0.5) H43F(0.5) C51(0.5) H51A(0.5) H51B(0.5) H51C(0.5)
 C52(0.5) H52A(0.5) H52B(0.5) H52C(0.5) C53(0.5) H53A(0.5) H53B(0.5) H53C(0.5)
 C51A(0.5) H51D(0.5) H51E(0.5) H51F(0.5) C52A(0.5) H52D(0.5) H52E(0.5)
 H52F(0.5) C53A(0.5) H53D(0.5) H53E(0.5) H53F(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C20(H20), C25(H25)
5.b Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C31A(H31D,H31E,
 H31F), C32A(H32D,H32E,H32F), C33A(H33D,H33E,H33F), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C41(H41A,H41B,H41C), C42(H42A,H42B,
 H42C), C43(H43A,H43B,H43C), C41A(H41D,H41E,H41F), C42A(H42D,H42E,H42F),
 C43A(H43D,H43E,H43F), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,
 H46C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C),
 C51A(H51D,H51E,H51F), C52A(H52D,H52E,H52F), C53A(H53D,H53E,H53F), C54(H54A,
 H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
C1 C -0.1571(3) 0.9436(4) 0.3293(2) 0.0669(10) Uani 1 1 d . . . . .
H1 H -0.144539 0.889165 0.298417 0.080 Uiso 1 1 calc R . . . .
C2 C -0.2788(4) 0.9890(4) 0.3595(2) 0.0805(12) Uani 1 1 d . . . . .
H2 H -0.345872 0.965462 0.348567 0.097 Uiso 1 1 calc R . . . .
C3 C -0.2980(4) 1.0678(4) 0.4050(2) 0.0827(13) Uani 1 1 d . . . . .
H3 H -0.379412 1.099796 0.424609 0.099 Uiso 1 1 calc R . . . .
C4 C -0.1976(4) 1.1011(3) 0.4227(2) 0.0640(10) Uani 1 1 d . . . . .
C5 C -0.0775(3) 1.0527(3) 0.38886(17) 0.0501(7) Uani 1 1 d . . . . .
C6 C 0.0292(3) 1.0854(2) 0.40367(16) 0.0476(7) Uani 1 1 d . . . . .
C7 C 0.0162(4) 1.1622(3) 0.45399(18) 0.0639(10) Uani 1 1 d . . . . .
C8 C -0.2061(5) 1.1784(4) 0.4725(2) 0.0851(14) Uani 1 1 d . . . . .
H8 H -0.284321 1.209971 0.495374 0.102 Uiso 1 1 calc R . . . .
C9 C -0.1057(5) 1.2075(4) 0.4878(2) 0.0847(13) Uani 1 1 d . . . . .
H9 H -0.115585 1.258088 0.520985 0.102 Uiso 1 1 calc R . . . .
C10 C 0.1246(5) 1.1890(3) 0.4675(2) 0.0778(12) Uani 1 1 d . . . . .
H10 H 0.119604 1.239458 0.500083 0.093 Uiso 1 1 calc R . . . .
C11 C 0.2369(4) 1.1417(3) 0.4331(2) 0.0706(10) Uani 1 1 d . . . . .
H11 H 0.309995 1.158073 0.442498 0.085 Uiso 1 1 calc R . . . .
C12 C 0.2413(4) 1.0684(3) 0.38362(18) 0.0571(8) Uani 1 1 d . . . . .
H12 H 0.318275 1.037713 0.359467 0.069 Uiso 1 1 calc R . . . .
C13 C -0.1025(3) 0.8508(4) 0.0951(2) 0.0684(10) Uani 1 1 d D U . . .
C14 C 0.0242(3) 0.8417(3) 0.13161(17) 0.0486(7) Uani 1 1 d . . . . .
C15 C 0.1441(3) 0.7799(3) 0.10432(18) 0.0544(8) Uani 1 1 d . . . . .
H15 H 0.144013 0.744805 0.064090 0.065 Uiso 1 1 calc R . . . .
C16 C 0.2635(3) 0.7669(2) 0.13280(16) 0.0432(6) Uani 1 1 d . . . . .
C17 C 0.3918(3) 0.6917(3) 0.10136(18) 0.0546(8) Uani 1 1 d . . . . .
C18 C 0.1714(4) 0.5432(3) 0.3480(2) 0.0750(11) Uani 1 1 d D U . . .
C19 C 0.2202(4) 0.6461(3) 0.34433(17) 0.0541(8) Uani 1 1 d . . . . .
C20 C 0.3495(4) 0.6257(3) 0.36021(19) 0.0604(9) Uani 1 1 d . . . . .
H20 H 0.404226 0.547769 0.375007 0.072 Uiso 1 1 calc R . . . .
C21 C 0.4033(3) 0.7133(3) 0.35565(17) 0.0515(7) Uani 1 1 d . . . . .
C22 C 0.5484(3) 0.6819(3) 0.3744(2) 0.0627(9) Uani 1 1 d . . . . .
C23 C -0.1237(3) 1.3162(3) 0.1858(2) 0.0609(9) Uani 1 1 d D U . . .
C24 C 0.0088(3) 1.2120(3) 0.19752(17) 0.0483(7) Uani 1 1 d . . . . .
C25 C 0.1239(3) 1.2326(3) 0.1810(2) 0.0602(9) Uani 1 1 d . . . . .
H25 H 0.118023 1.309793 0.163434 0.072 Uiso 1 1 calc R . . . .
C26 C 0.2459(3) 1.1452(3) 0.18917(17) 0.0479(7) Uani 1 1 d . . . . .
C27 C 0.3680(3) 1.1722(3) 0.1631(2) 0.0628(9) Uani 1 1 d . . . . .
C31 C -0.1795(12) 0.9829(9) 0.0749(8) 0.112(4) Uani 0.5 1 d D U P A 1
H31A H -0.184749 1.019839 0.116714 0.168 Uiso 0.5 1 calc GR . P A 1
H31B H -0.265453 0.995011 0.058642 0.168 Uiso 0.5 1 calc GR . P A 1
H31C H -0.136809 1.017121 0.036600 0.168 Uiso 0.5 1 calc GR . P A 1
C32 C -0.0827(13) 0.802(2) 0.0248(10) 0.192(10) Uani 0.5 1 d D U P A 1
H32A H -0.032588 0.838435 -0.007334 0.287 Uiso 0.5 1 calc GR . P A 1
H32B H -0.165540 0.819463 0.002183 0.287 Uiso 0.5 1 calc GR . P A 1
H32C H -0.037387 0.718388 0.034904 0.287 Uiso 0.5 1 calc GR . P A 1
C33 C -0.1762(12) 0.7998(15) 0.1496(8) 0.128(6) Uani 0.5 1 d D U P A 1
H33A H -0.125036 0.718558 0.167376 0.192 Uiso 0.5 1 calc GR . P A 1
H33B H -0.255348 0.804610 0.127526 0.192 Uiso 0.5 1 calc GR . P A 1
H33C H -0.196153 0.842983 0.189279 0.192 Uiso 0.5 1 calc GR . P A 1
C31A C -0.2161(12) 0.886(2) 0.1433(10) 0.184(10) Uani 0.5 1 d D U P A 2
H31D H -0.195496 0.834834 0.189832 0.277 Uiso 0.5 1 calc GR . P A 2
H31E H -0.289621 0.878875 0.121573 0.277 Uiso 0.5 1 calc GR . P A 2
H31F H -0.236191 0.966053 0.149559 0.277 Uiso 0.5 1 calc GR . P A 2
C32A C -0.0908(13) 0.7289(10) 0.0810(11) 0.133(5) Uani 0.5 1 d D U P A 2
H32D H -0.024759 0.704088 0.045993 0.200 Uiso 0.5 1 calc GR . P A 2
H32E H -0.172356 0.732949 0.062376 0.200 Uiso 0.5 1 calc GR . P A 2
H32F H -0.068024 0.673167 0.125619 0.200 Uiso 0.5 1 calc GR . P A 2
C33A C -0.1216(19) 0.928(2) 0.0239(10) 0.199(10) Uani 0.5 1 d D U P A 2
H33D H -0.146916 1.008955 0.030735 0.298 Uiso 0.5 1 calc GR . P A 2
H33E H -0.188356 0.919838 -0.003454 0.298 Uiso 0.5 1 calc GR . P A 2
H33F H -0.042020 0.907015 -0.002175 0.298 Uiso 0.5 1 calc GR . P A 2
C34 C 0.4816(4) 0.7615(4) 0.0917(3) 0.0926(14) Uani 1 1 d . . . . .
H34A H 0.447173 0.828987 0.053853 0.139 Uiso 1 1 calc GR . . . .
H34B H 0.566059 0.712263 0.078602 0.139 Uiso 1 1 calc GR . . . .
H34C H 0.488467 0.787415 0.136421 0.139 Uiso 1 1 calc GR . . . .
C35 C 0.3748(4) 0.6597(5) 0.0284(3) 0.1109(19) Uani 1 1 d . . . . .
H35A H 0.325028 0.609168 0.034443 0.166 Uiso 1 1 calc GR . . . .
H35B H 0.458514 0.619274 0.009988 0.166 Uiso 1 1 calc GR . . . .
H35C H 0.330242 0.730393 -0.005400 0.166 Uiso 1 1 calc GR . . . .
C36 C 0.4511(4) 0.5816(4) 0.1566(3) 0.1010(16) Uani 1 1 d . . . . .
H36A H 0.454899 0.602674 0.203390 0.151 Uiso 1 1 calc GR . . . .
H36B H 0.537325 0.538394 0.142499 0.151 Uiso 1 1 calc GR . . . .
H36C H 0.399137 0.533302 0.159315 0.151 Uiso 1 1 calc GR . . . .
C41 C 0.1293(12) 0.5500(11) 0.2716(5) 0.085(3) Uani 0.5 1 d D U P B 3
H41A H 0.052023 0.618411 0.258870 0.127 Uiso 0.5 1 calc GR . P B 3
H41B H 0.111825 0.480267 0.267999 0.127 Uiso 0.5 1 calc GR . P B 3
H41C H 0.196974 0.555670 0.238933 0.127 Uiso 0.5 1 calc GR . P B 3
C42 C 0.2824(16) 0.4235(9) 0.3662(12) 0.177(9) Uani 0.5 1 d D U P B 3
H42A H 0.349515 0.419212 0.331258 0.266 Uiso 0.5 1 calc GR . P B 3
H42B H 0.250188 0.361286 0.364630 0.266 Uiso 0.5 1 calc GR . P B 3
H42C H 0.317069 0.414946 0.414023 0.266 Uiso 0.5 1 calc GR . P B 3
C43 C 0.054(2) 0.5671(19) 0.3924(13) 0.170(10) Uani 0.5 1 d D U P B 3
H43A H 0.078809 0.555243 0.442759 0.255 Uiso 0.5 1 calc GR . P B 3
H43B H 0.011144 0.514381 0.386062 0.255 Uiso 0.5 1 calc GR . P B 3
H43C H -0.003008 0.647294 0.377347 0.255 Uiso 0.5 1 calc GR . P B 3
C41A C 0.055(3) 0.579(2) 0.3001(19) 0.38(2) Uani 0.5 1 d D U P B 4
H41D H -0.021722 0.604698 0.328204 0.574 Uiso 0.5 1 calc GR . P B 4
H41E H 0.056265 0.512942 0.279035 0.574 Uiso 0.5 1 calc GR . P B 4
H41F H 0.055092 0.642487 0.262119 0.574 Uiso 0.5 1 calc GR . P B 4
C42A C 0.267(2) 0.4323(14) 0.3318(14) 0.237(13) Uani 0.5 1 d D U P B 4
H42D H 0.306771 0.447517 0.286299 0.355 Uiso 0.5 1 calc GR . P B 4
H42E H 0.224831 0.377568 0.328755 0.355 Uiso 0.5 1 calc GR . P B 4
H42F H 0.332747 0.399113 0.369863 0.355 Uiso 0.5 1 calc GR . P B 4
C43A C 0.126(3) 0.512(2) 0.4211(10) 0.188(12) Uani 0.5 1 d D U P B 4
H43D H 0.191105 0.500699 0.456802 0.282 Uiso 0.5 1 calc GR . P B 4
H43E H 0.108721 0.440207 0.423981 0.282 Uiso 0.5 1 calc GR . P B 4
H43F H 0.047410 0.574441 0.430092 0.282 Uiso 0.5 1 calc GR . P B 4
C44 C 0.5553(4) 0.7495(5) 0.4356(2) 0.0915(14) Uani 1 1 d . . . . .
H44A H 0.501017 0.831194 0.422337 0.137 Uiso 1 1 calc GR . . . .
H44B H 0.643321 0.743399 0.442296 0.137 Uiso 1 1 calc GR . . . .
H44C H 0.525750 0.716014 0.480065 0.137 Uiso 1 1 calc GR . . . .
C45 C 0.6234(4) 0.5504(4) 0.3991(3) 0.1056(17) Uani 1 1 d . . . . .
H45A H 0.587897 0.523193 0.443386 0.158 Uiso 1 1 calc GR . . . .
H45B H 0.713069 0.537533 0.407271 0.158 Uiso 1 1 calc GR . . . .
H45C H 0.616334 0.507676 0.362082 0.158 Uiso 1 1 calc GR . . . .
C46 C 0.6101(4) 0.7266(5) 0.3066(2) 0.0988(15) Uani 1 1 d . . . . .
H46A H 0.607940 0.684129 0.268521 0.148 Uiso 1 1 calc GR . . . .
H46B H 0.698586 0.714599 0.317738 0.148 Uiso 1 1 calc GR . . . .
H46C H 0.562708 0.809392 0.290870 0.148 Uiso 1 1 calc GR . . . .
C51 C -0.140(2) 1.3914(18) 0.1134(7) 0.131(7) Uani 0.5 1 d D U P C 5
H51A H -0.072122 1.423268 0.106639 0.197 Uiso 0.5 1 calc GR . P C 5
H51B H -0.222756 1.454852 0.110087 0.197 Uiso 0.5 1 calc GR . P C 5
H51C H -0.135774 1.344961 0.076491 0.197 Uiso 0.5 1 calc GR . P C 5
C52 C -0.137(3) 1.3924(19) 0.2411(10) 0.135(8) Uani 0.5 1 d D U P C 5
H52A H -0.115961 1.344215 0.288472 0.202 Uiso 0.5 1 calc GR . P C 5
H52B H -0.224434 1.447631 0.240040 0.202 Uiso 0.5 1 calc GR . P C 5
H52C H -0.078491 1.434601 0.230497 0.202 Uiso 0.5 1 calc GR . P C 5
C53 C -0.2370(12) 1.2740(13) 0.1976(12) 0.137(8) Uani 0.5 1 d D U P C 5
H53A H -0.244853 1.237620 0.157473 0.206 Uiso 0.5 1 calc GR . P C 5
H53B H -0.315515 1.340133 0.200935 0.206 Uiso 0.5 1 calc GR . P C 5
H53C H -0.222565 1.217589 0.241918 0.206 Uiso 0.5 1 calc GR . P C 5
C51A C -0.2112(13) 1.2723(17) 0.1510(13) 0.169(10) Uani 0.5 1 d D U P C 6
H51D H -0.183016 1.261395 0.102555 0.253 Uiso 0.5 1 calc GR . P C 6
H51E H -0.298274 1.328813 0.148930 0.253 Uiso 0.5 1 calc GR . P C 6
H51F H -0.208761 1.198301 0.178968 0.253 Uiso 0.5 1 calc GR . P C 6
C52A C -0.165(3) 1.342(2) 0.2585(8) 0.182(14) Uani 0.5 1 d D U P C 6
H52D H -0.137875 1.269903 0.293275 0.273 Uiso 0.5 1 calc GR . P C 6
H52E H -0.258248 1.378353 0.258461 0.273 Uiso 0.5 1 calc GR . P C 6
H52F H -0.127171 1.394812 0.271491 0.273 Uiso 0.5 1 calc GR . P C 6
C53A C -0.1134(19) 1.4218(14) 0.1367(13) 0.195(13) Uani 0.5 1 d D U P C 6
H53D H -0.041396 1.438559 0.152442 0.293 Uiso 0.5 1 calc GR . P C 6
H53E H -0.192012 1.488598 0.138153 0.293 Uiso 0.5 1 calc GR . P C 6
H53F H -0.100080 1.406209 0.087764 0.293 Uiso 0.5 1 calc GR . P C 6
C54 C 0.3386(5) 1.3001(4) 0.1266(4) 0.131(2) Uani 1 1 d . . . . .
H54A H 0.282313 1.318058 0.084877 0.196 Uiso 1 1 calc GR . . . .
H54B H 0.418197 1.310855 0.111421 0.196 Uiso 1 1 calc GR . . . .
H54C H 0.296913 1.351762 0.160383 0.196 Uiso 1 1 calc GR . . . .
C55 C 0.4293(5) 1.0960(5) 0.1067(3) 0.1137(19) Uani 1 1 d . . . . .
H55A H 0.454775 1.014198 0.128605 0.171 Uiso 1 1 calc GR . . . .
H55B H 0.504279 1.112253 0.087987 0.171 Uiso 1 1 calc GR . . . .
H55C H 0.367696 1.113000 0.067690 0.171 Uiso 1 1 calc GR . . . .
C56 C 0.4587(5) 1.1392(7) 0.2266(3) 0.151(3) Uani 1 1 d . . . . .
H56A H 0.419943 1.188668 0.262009 0.226 Uiso 1 1 calc GR . . . .
H56B H 0.538276 1.149442 0.210841 0.226 Uiso 1 1 calc GR . . . .
H56C H 0.476581 1.058036 0.247974 0.226 Uiso 1 1 calc GR . . . .
Dy1 Dy 0.14842(2) 0.92392(2) 0.26440(2) 0.03932(5) Uani 1 1 d . . . . .
N1 N -0.0584(2) 0.9747(2) 0.34273(14) 0.0517(6) Uani 1 1 d . . . . .
N2 N 0.1414(2) 1.0399(2) 0.36912(13) 0.0474(6) Uani 1 1 d . . . . .
O1 O 0.01099(18) 0.89324(19) 0.18573(12) 0.0517(5) Uani 1 1 d . . . . .
O2 O 0.27761(18) 0.81020(19) 0.18696(12) 0.0510(5) Uani 1 1 d . . . . .
O3 O 0.1359(2) 0.74720(19) 0.32583(13) 0.0553(5) Uani 1 1 d . . . . .
O4 O 0.33975(19) 0.82243(18) 0.33581(12) 0.0499(5) Uani 1 1 d . . . . .
O5 O 0.00407(19) 1.11289(18) 0.22170(12) 0.0522(5) Uani 1 1 d . . . . .
O6 O 0.26783(18) 1.03855(18) 0.21736(12) 0.0499(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.394(5) . ?
C1 N1 1.325(4) . ?
C2 C3 1.355(6) . ?
C3 C4 1.384(6) . ?
C4 C5 1.416(4) . ?
C4 C8 1.423(6) . ?
C5 C6 1.428(5) . ?
C5 N1 1.357(4) . ?
C6 C7 1.414(4) . ?
C6 N2 1.351(4) . ?
C7 C9 1.427(6) . ?
C7 C10 1.395(6) . ?
C8 C9 1.338(6) . ?
C10 C11 1.355(6) . ?
C11 C12 1.390(5) . ?
C12 N2 1.325(4) . ?
C13 C14 1.542(4) . ?
C13 C31 1.525(10) . ?
C13 C32 1.511(9) . ?
C13 C33 1.473(10) . ?
C13 C31A 1.491(11) . ?
C13 C32A 1.530(10) . ?
C13 C33A 1.468(11) . ?
C14 C15 1.395(4) . ?
C14 O1 1.262(3) . ?
C15 C16 1.387(4) . ?
C16 C17 1.544(4) . ?
C16 O2 1.263(3) . ?
C17 C34 1.519(5) . ?
C17 C35 1.520(5) . ?
C17 C36 1.502(5) . ?
C18 C19 1.538(5) . ?
C18 C41 1.497(9) . ?
C18 C42 1.531(10) . ?
C18 C43 1.472(12) . ?
C18 C41A 1.481(12) . ?
C18 C42A 1.467(11) . ?
C18 C43A 1.471(12) . ?
C19 C20 1.393(5) . ?
C19 O3 1.255(4) . ?
C20 C21 1.398(5) . ?
C21 C22 1.547(5) . ?
C21 O4 1.266(4) . ?
C22 C44 1.547(5) . ?
C22 C45 1.523(5) . ?
C22 C46 1.526(5) . ?
C23 C24 1.552(4) . ?
C23 C51 1.476(11) . ?
C23 C52 1.482(11) . ?
C23 C53 1.515(10) . ?
C23 C51A 1.484(11) . ?
C23 C52A 1.466(12) . ?
C23 C53A 1.494(11) . ?
C24 C25 1.396(4) . ?
C24 O5 1.245(4) . ?
C25 C26 1.382(4) . ?
C26 C27 1.544(4) . ?
C26 O6 1.265(4) . ?
C27 C54 1.525(6) . ?
C27 C55 1.509(6) . ?
C27 C56 1.486(6) . ?
Dy1 N1 2.601(3) . ?
Dy1 N2 2.599(2) . ?
Dy1 O1 2.324(2) . ?
Dy1 O2 2.277(2) . ?
Dy1 O3 2.325(2) . ?
Dy1 O4 2.355(2) . ?
Dy1 O5 2.317(2) . ?
Dy1 O6 2.308(2) . ?

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
N1 C1 C2 122.9(4) . . ?
C3 C2 C1 119.1(4) . . ?
C2 C3 C4 120.6(4) . . ?
C3 C4 C5 117.0(4) . . ?
C3 C4 C8 124.9(4) . . ?
C5 C4 C8 118.2(4) . . ?
C4 C5 C6 119.7(3) . . ?
N1 C5 C4 122.5(3) . . ?
N1 C5 C6 117.8(3) . . ?
C7 C6 C5 120.1(3) . . ?
N2 C6 C5 118.1(3) . . ?
N2 C6 C7 121.8(3) . . ?
C6 C7 C9 118.6(4) . . ?
C10 C7 C6 117.5(3) . . ?
C10 C7 C9 123.9(4) . . ?
C9 C8 C4 122.4(4) . . ?
C8 C9 C7 121.1(4) . . ?
C11 C10 C7 120.0(3) . . ?
C10 C11 C12 118.9(4) . . ?
N2 C12 C11 123.3(3) . . ?
C31 C13 C14 105.2(6) . . ?
C32 C13 C14 114.0(6) . . ?
C32 C13 C31 106.2(11) . . ?
C33 C13 C14 108.5(6) . . ?
C33 C13 C31 107.9(8) . . ?
C33 C13 C32 114.4(12) . . ?
C31A C13 C14 112.3(7) . . ?
C31A C13 C32A 104.8(11) . . ?
C32A C13 C14 109.4(5) . . ?
C33A C13 C14 109.6(6) . . ?
C33A C13 C31A 113.6(12) . . ?
C33A C13 C32A 106.9(11) . . ?
C15 C14 C13 120.2(3) . . ?
O1 C14 C13 115.9(3) . . ?
O1 C14 C15 123.9(3) . . ?
C16 C15 C14 124.8(3) . . ?
C15 C16 C17 121.3(3) . . ?
O2 C16 C15 124.2(3) . . ?
O2 C16 C17 114.5(3) . . ?
C34 C17 C16 108.2(3) . . ?
C34 C17 C35 108.3(4) . . ?
C35 C17 C16 113.8(3) . . ?
C36 C17 C16 107.1(3) . . ?
C36 C17 C34 109.2(4) . . ?
C36 C17 C35 110.1(4) . . ?
C41 C18 C19 104.9(5) . . ?
C41 C18 C42 105.1(9) . . ?
C42 C18 C19 111.5(7) . . ?
C43 C18 C19 108.3(8) . . ?
C43 C18 C41 107.0(12) . . ?
C43 C18 C42 119.0(13) . . ?
C41A C18 C19 110.5(8) . . ?
C42A C18 C19 115.9(9) . . ?
C42A C18 C41A 109.4(17) . . ?
C42A C18 C43A 105.0(13) . . ?
C43A C18 C19 111.3(11) . . ?
C43A C18 C41A 104.0(18) . . ?
C20 C19 C18 121.2(3) . . ?
O3 C19 C18 115.1(3) . . ?
O3 C19 C20 123.7(3) . . ?
C19 C20 C21 125.1(3) . . ?
C20 C21 C22 121.3(3) . . ?
O4 C21 C20 123.8(3) . . ?
O4 C21 C22 114.9(3) . . ?
C21 C22 C44 107.6(3) . . ?
C45 C22 C21 114.4(3) . . ?
C45 C22 C44 109.2(4) . . ?
C45 C22 C46 109.4(4) . . ?
C46 C22 C21 107.4(3) . . ?
C46 C22 C44 108.7(4) . . ?
C51 C23 C24 113.6(8) . . ?
C51 C23 C52 107.6(12) . . ?
C51 C23 C53 108.6(11) . . ?
C52 C23 C24 109.4(11) . . ?
C52 C23 C53 105.3(12) . . ?
C53 C23 C24 112.0(6) . . ?
C51A C23 C24 105.7(7) . . ?
C51A C23 C53A 109.1(13) . . ?
C52A C23 C24 105.8(10) . . ?
C52A C23 C51A 112.7(14) . . ?
C52A C23 C53A 111.6(14) . . ?
C53A C23 C24 111.9(8) . . ?
C25 C24 C23 120.0(3) . . ?
O5 C24 C23 115.9(3) . . ?
O5 C24 C25 124.0(3) . . ?
C26 C25 C24 124.0(3) . . ?
C25 C26 C27 121.2(3) . . ?
O6 C26 C25 124.2(3) . . ?
O6 C26 C27 114.6(3) . . ?
C54 C27 C26 113.6(3) . . ?
C55 C27 C26 107.0(3) . . ?
C55 C27 C54 106.9(4) . . ?
C56 C27 C26 108.1(3) . . ?
C56 C27 C54 111.3(4) . . ?
C56 C27 C55 109.8(5) . . ?
N2 Dy1 N1 62.49(8) . . ?
O1 Dy1 N1 81.96(8) . . ?
O1 Dy1 N2 140.83(8) . . ?
O1 Dy1 O3 79.45(8) . . ?
O1 Dy1 O4 141.37(7) . . ?
O2 Dy1 N1 148.83(8) . . ?
O2 Dy1 N2 145.63(8) . . ?
O2 Dy1 O1 73.30(7) . . ?
O2 Dy1 O3 84.71(8) . . ?
O2 Dy1 O4 78.51(8) . . ?
O2 Dy1 O5 121.08(8) . . ?
O2 Dy1 O6 79.46(8) . . ?
O3 Dy1 N1 72.17(8) . . ?
O3 Dy1 N2 102.86(8) . . ?
O3 Dy1 O4 72.06(8) . . ?
O4 Dy1 N1 112.32(8) . . ?
O4 Dy1 N2 72.37(8) . . ?
O5 Dy1 N1 69.21(8) . . ?
O5 Dy1 N2 75.81(8) . . ?
O5 Dy1 O1 76.58(8) . . ?
O5 Dy1 O3 136.72(8) . . ?
O5 Dy1 O4 141.70(7) . . ?
O6 Dy1 N1 129.99(8) . . ?
O6 Dy1 N2 78.31(8) . . ?
O6 Dy1 O1 118.23(8) . . ?
O6 Dy1 O3 150.94(8) . . ?
O6 Dy1 O4 80.95(8) . . ?
O6 Dy1 O5 72.14(8) . . ?
C1 N1 C5 117.9(3) . . ?
C1 N1 Dy1 121.3(2) . . ?
C5 N1 Dy1 119.7(2) . . ?
C6 N2 Dy1 120.0(2) . . ?
C12 N2 C6 118.3(3) . . ?
C12 N2 Dy1 121.2(2) . . ?
C14 O1 Dy1 136.20(18) . . ?
C16 O2 Dy1 137.64(18) . . ?
C19 O3 Dy1 132.4(2) . . ?
C21 O4 Dy1 131.8(2) . . ?
C24 O5 Dy1 137.67(19) . . ?
C26 O6 Dy1 137.45(19) . . ?

_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_3
_database_code_depnum_ccdc_archive 'CCDC 1405306'
_audit_update_record             
;
2018-03-28 deposited with the CCDC.
2018-03-29 downloaded from the CCDC.
;
_audit_creation_date             2018-03-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C47 H66 Dy N4 O6'
_chemical_formula_sum            'C47 H66 Dy N4 O6'
_chemical_formula_weight         945.53
_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'

_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                   10.955(5)
_cell_length_b                   12.357(5)
_cell_length_c                   19.880(5)
_cell_angle_alpha                101.826(5)
_cell_angle_beta                 92.723(5)
_cell_angle_gamma                110.819(5)
_cell_volume                     2440.7(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8117
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6920
_cell_measurement_theta_min      3.0889
_shelx_estimated_absorpt_T_max   0.821
_shelx_estimated_absorpt_T_min   0.786
_exptl_absorpt_coefficient_mu    1.578
_exptl_absorpt_correction_T_max  0.815
_exptl_absorpt_correction_T_min  0.777
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             980
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20206
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         3.095
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  MoKα
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9805
_reflns_number_total             11192
_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       ?
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         2.506
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         11192
_refine_ls_number_restraints     240
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0407
_refine_ls_restrained_S_all      1.057
_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)+(0.0522P)²+1.2079P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1064
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C20-C35A \\sim C35-C20 \\sim C34A-C20 \\sim C34-C20 \\sim C36A-C20 \\sim
C36-C20
 with sigma of 0.02
 C30-C54 \\sim C55A-C30 \\sim C56-C30 \\sim C54A-C30 \\sim C55-C30 \\sim
C56A-C30
 with sigma of 0.02
3. Rigid bond restraints
 C30, C54, C55, C56, C54A, C55A, C56A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C30 \\sim C54 \\sim C55 \\sim C56 \\sim C54A \\sim C55A \\sim C56A: within 3.8A
with sigma of 0.04 and sigma for terminal atoms of 0.08
5. Rigid body (RIGU) restrains
 C35A, C35, C34A, C34, C36A, C36, C20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C54, C55A, C56, C54A, C55, C56A, C30
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C34(0.5) H34A(0.5) H34B(0.5) H34C(0.5) C35(0.5) H35A(0.5)
 H35B(0.5) H35C(0.5) C36(0.5) H36A(0.5) H36B(0.5) H36C(0.5) C34A(0.5) H34D(0.5)
 H34E(0.5) H34F(0.5) C35A(0.5) H35D(0.5) H35E(0.5) H35F(0.5) C36A(0.5)
 H36D(0.5) H36E(0.5) H36F(0.5) C54(0.5) H54A(0.5) H54B(0.5) H54C(0.5) C55(0.5)
 H55A(0.5) H55B(0.5) H55C(0.5) C56(0.5) H56A(0.5) H56B(0.5) H56C(0.5) C54A(0.5)
 H54D(0.5) H54E(0.5) H54F(0.5) C55A(0.5) H55D(0.5) H55E(0.5) H55F(0.5)
 C56A(0.5) H56D(0.5) H56E(0.5) H56F(0.5)
7.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C18(H18), C23(H23), C28(H28), N3(H3A)
7.b Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,
 H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C34A(H34D,H34E,H34F),
 C35A(H35D,H35E,H35F), C36A(H36D,H36E,H36F), C41(H41A,H41B,H41C), C42(H42A,H42B,
 H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,
 H46B,H46C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C),
 C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C54A(H54D,H54E,
 H54F), C55A(H55D,H55E,H55F), C56A(H56D,H56E,H56F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
C1 C 0.1985(5) 0.5285(4) 0.1333(2) 0.0642(11) Uani 1 1 d . . . . .
H1 H 0.122673 0.499260 0.153700 0.077 Uiso 1 1 calc R . . . .
C2 C 0.1990(6) 0.5985(5) 0.0863(3) 0.0792(15) Uani 1 1 d . . . . .
H2 H 0.124706 0.614435 0.075356 0.095 Uiso 1 1 calc R . . . .
C3 C 0.3097(7) 0.6427(4) 0.0571(2) 0.0801(16) Uani 1 1 d . . . . .
H3 H 0.311978 0.689909 0.025917 0.096 Uiso 1 1 calc R . . . .
C4 C 0.4189(6) 0.6178(3) 0.0735(2) 0.0647(13) Uani 1 1 d . . . . .
C5 C 0.4099(4) 0.5450(3) 0.12048(18) 0.0494(9) Uani 1 1 d . . . . .
C6 C 0.5189(4) 0.5101(3) 0.1359(2) 0.0535(9) Uani 1 1 d . . . . .
C7 C 0.6361(5) 0.5513(4) 0.1068(2) 0.0656(12) Uani 1 1 d . . . . .
C8 C 0.7353(5) 0.5127(5) 0.1227(3) 0.0859(17) Uani 1 1 d . . . . .
H8 H 0.814577 0.538796 0.104684 0.103 Uiso 1 1 calc R . . . .
C9 C 0.7161(5) 0.4367(6) 0.1649(3) 0.0876(17) Uani 1 1 d . . . . .
H9 H 0.781840 0.409459 0.175611 0.105 Uiso 1 1 calc R . . . .
C10 C 0.5972(5) 0.3991(5) 0.1924(3) 0.0686(12) Uani 1 1 d . . . . .
H10 H 0.585449 0.346576 0.221123 0.082 Uiso 1 1 calc R . . . .
C11 C 0.5401(7) 0.6604(4) 0.0436(2) 0.0762(17) Uani 1 1 d . . . . .
C12 C 0.6441(6) 0.6286(4) 0.0600(2) 0.0806(18) Uani 1 1 d . . . . .
C13 C 0.6566(11) 0.7616(6) -0.0297(4) 0.131(4) Uani 1 1 d . . . . .
H13 H 0.664875 0.808156 -0.061813 0.157 Uiso 1 1 calc R . . . .
C14 C 0.7577(10) 0.7310(6) -0.0136(4) 0.133(4) Uani 1 1 d . . . . .
H14 H 0.832370 0.756795 -0.035461 0.159 Uiso 1 1 calc R . . . .
C16 C 0.0871(4) 0.1835(4) 0.4029(2) 0.0552(10) Uani 1 1 d . . . . .
C17 C 0.2107(3) 0.2544(3) 0.37441(18) 0.0419(7) Uani 1 1 d . . . . .
C18 C 0.3357(4) 0.2680(4) 0.4022(2) 0.0567(10) Uani 1 1 d . . . . .
H18 H 0.342091 0.234893 0.439625 0.068 Uiso 1 1 calc R . . . .
C19 C 0.4513(4) 0.3278(4) 0.3779(2) 0.0521(9) Uani 1 1 d . . . . .
C20 C 0.5850(4) 0.3389(5) 0.4142(3) 0.0777(14) Uani 1 1 d D U . . .
C21 C 0.5939(4) 0.7952(4) 0.3245(2) 0.0579(10) Uani 1 1 d . . . . .
C22 C 0.4603(4) 0.6923(3) 0.31363(19) 0.0460(8) Uani 1 1 d . . . . .
C23 C 0.3468(4) 0.7145(4) 0.3286(2) 0.0587(10) Uani 1 1 d . . . . .
H23 H 0.355484 0.793107 0.345733 0.070 Uiso 1 1 calc R . . . .
C24 C 0.2225(4) 0.6268(3) 0.3195(2) 0.0467(8) Uani 1 1 d . . . . .
C25 C 0.1043(5) 0.6569(4) 0.3423(3) 0.0634(11) Uani 1 1 d . . . . .
C26 C -0.1088(5) 0.1485(5) 0.1364(3) 0.0805(15) Uani 1 1 d . . . . .
C27 C 0.0397(4) 0.1801(4) 0.1589(2) 0.0539(9) Uani 1 1 d . . . . .
C28 C 0.0912(5) 0.0912(4) 0.1564(2) 0.0639(11) Uani 1 1 d . . . . .
H28 H 0.033199 0.012495 0.140667 0.077 Uiso 1 1 calc R . . . .
C29 C 0.2219(5) 0.1112(3) 0.1755(2) 0.0554(10) Uani 1 1 d . . . . .
C30 C 0.2680(6) 0.0064(4) 0.1725(3) 0.0800(14) Uani 1 1 d D U . . .
C31 C -0.0010(7) 0.2536(7) 0.4123(4) 0.112(2) Uani 1 1 d . . . . .
H31A H 0.040789 0.324673 0.448439 0.168 Uiso 1 1 calc GR . . . .
H31B H -0.083274 0.206081 0.424614 0.168 Uiso 1 1 calc GR . . . .
H31C H -0.016689 0.274849 0.369771 0.168 Uiso 1 1 calc GR . . . .
C32 C 0.0174(7) 0.0685(6) 0.3487(4) 0.122(3) Uani 1 1 d . . . . .
H32A H 0.004292 0.086036 0.304650 0.183 Uiso 1 1 calc GR . . . .
H32B H -0.066445 0.025954 0.361698 0.183 Uiso 1 1 calc GR . . . .
H32C H 0.070037 0.020370 0.345259 0.183 Uiso 1 1 calc GR . . . .
C33 C 0.1145(6) 0.1556(8) 0.4714(4) 0.139(4) Uani 1 1 d . . . . .
H33A H 0.158026 0.099838 0.464645 0.208 Uiso 1 1 calc GR . . . .
H33B H 0.032969 0.121661 0.489072 0.208 Uiso 1 1 calc GR . . . .
H33C H 0.170014 0.227618 0.503921 0.208 Uiso 1 1 calc GR . . . .
C34 C 0.5776(16) 0.307(3) 0.4829(11) 0.191(12) Uani 0.5 1 d D U P A 1
H34A H 0.559200 0.365978 0.515770 0.287 Uiso 0.5 1 calc GR . P A 1
H34B H 0.660195 0.303941 0.498837 0.287 Uiso 0.5 1 calc GR . P A 1
H34C H 0.508735 0.230477 0.478175 0.287 Uiso 0.5 1 calc GR . P A 1
C35 C 0.6682(14) 0.4708(11) 0.4333(11) 0.121(5) Uani 0.5 1 d D U P A 1
H35A H 0.652527 0.506351 0.396766 0.182 Uiso 0.5 1 calc GR . P A 1
H35B H 0.759624 0.481979 0.439716 0.182 Uiso 0.5 1 calc GR . P A 1
H35C H 0.645069 0.507737 0.475477 0.182 Uiso 0.5 1 calc GR . P A 1
C36 C 0.6514(17) 0.284(2) 0.3617(9) 0.140(7) Uani 0.5 1 d D U P A 1
H36A H 0.595520 0.202082 0.342065 0.210 Uiso 0.5 1 calc GR . P A 1
H36B H 0.733157 0.287082 0.383535 0.210 Uiso 0.5 1 calc GR . P A 1
H36C H 0.668257 0.326352 0.325733 0.210 Uiso 0.5 1 calc GR . P A 1
C34A C 0.607(2) 0.418(2) 0.4865(9) 0.181(11) Uani 0.5 1 d D U P A 2
H34D H 0.591174 0.488408 0.483889 0.272 Uiso 0.5 1 calc GR . P A 2
H34E H 0.696391 0.439527 0.506748 0.272 Uiso 0.5 1 calc GR . P A 2
H34F H 0.547896 0.375264 0.514576 0.272 Uiso 0.5 1 calc GR . P A 2
C35A C 0.6936(16) 0.378(3) 0.3711(14) 0.190(12) Uani 0.5 1 d D U P A 2
H35D H 0.685385 0.312749 0.333060 0.285 Uiso 0.5 1 calc GR . P A 2
H35E H 0.777141 0.403286 0.399069 0.285 Uiso 0.5 1 calc GR . P A 2
H35F H 0.687999 0.443085 0.353461 0.285 Uiso 0.5 1 calc GR . P A 2
C36A C 0.5812(16) 0.2219(12) 0.4243(11) 0.117(5) Uani 0.5 1 d D U P A 2
H36D H 0.518879 0.195431 0.455529 0.175 Uiso 0.5 1 calc GR . P A 2
H36E H 0.666993 0.230075 0.443545 0.175 Uiso 0.5 1 calc GR . P A 2
H36F H 0.555214 0.164499 0.380546 0.175 Uiso 0.5 1 calc GR . P A 2
C41 C 0.6074(8) 0.8407(9) 0.2619(4) 0.196(6) Uani 1 1 d . . . . .
H41A H 0.674941 0.822431 0.238608 0.294 Uiso 1 1 calc GR . . . .
H41B H 0.630936 0.925520 0.274323 0.294 Uiso 1 1 calc GR . . . .
H41C H 0.525358 0.804117 0.231760 0.294 Uiso 1 1 calc GR . . . .
C42 C 0.6097(8) 0.8935(7) 0.3857(5) 0.186(5) Uani 1 1 d . . . . .
H42A H 0.538695 0.921089 0.381588 0.279 Uiso 1 1 calc GR . . . .
H42B H 0.692031 0.957985 0.387822 0.279 Uiso 1 1 calc GR . . . .
H42C H 0.608606 0.864924 0.427134 0.279 Uiso 1 1 calc GR . . . .
C43 C 0.7002(6) 0.7499(7) 0.3357(8) 0.206(7) Uani 1 1 d . . . . .
H43A H 0.693086 0.722531 0.377676 0.309 Uiso 1 1 calc GR . . . .
H43B H 0.784367 0.812803 0.339230 0.309 Uiso 1 1 calc GR . . . .
H43C H 0.691674 0.685104 0.297290 0.309 Uiso 1 1 calc GR . . . .
C44 C 0.1392(7) 0.7862(5) 0.3799(4) 0.116(3) Uani 1 1 d . . . . .
H44A H 0.198457 0.804670 0.421445 0.174 Uiso 1 1 calc GR . . . .
H44B H 0.060468 0.798664 0.391703 0.174 Uiso 1 1 calc GR . . . .
H44C H 0.180792 0.837070 0.350329 0.174 Uiso 1 1 calc GR . . . .
C45 C 0.0060(8) 0.6247(10) 0.2803(4) 0.176(5) Uani 1 1 d . . . . .
H45A H 0.043659 0.672222 0.248454 0.263 Uiso 1 1 calc GR . . . .
H45B H -0.070625 0.639116 0.294179 0.263 Uiso 1 1 calc GR . . . .
H45C H -0.018425 0.541853 0.258230 0.263 Uiso 1 1 calc GR . . . .
C46 C 0.0452(7) 0.5823(7) 0.3927(5) 0.126(3) Uani 1 1 d . . . . .
H46A H 0.028969 0.500181 0.372446 0.190 Uiso 1 1 calc GR . . . .
H46B H -0.036314 0.590598 0.402862 0.190 Uiso 1 1 calc GR . . . .
H46C H 0.105278 0.608860 0.434731 0.190 Uiso 1 1 calc GR . . . .
C51 C -0.1217(7) 0.2199(8) 0.0858(4) 0.118(3) Uani 1 1 d . . . . .
H51A H -0.063501 0.301454 0.103148 0.177 Uiso 1 1 calc GR . . . .
H51B H -0.210923 0.215679 0.079777 0.177 Uiso 1 1 calc GR . . . .
H51C H -0.099121 0.188198 0.042012 0.177 Uiso 1 1 calc GR . . . .
C52 C -0.1663(6) 0.1876(7) 0.2012(4) 0.109(2) Uani 1 1 d . . . . .
H52A H -0.166943 0.137572 0.232366 0.164 Uiso 1 1 calc GR . . . .
H52B H -0.254746 0.180906 0.188302 0.164 Uiso 1 1 calc GR . . . .
H52C H -0.113457 0.268898 0.223565 0.164 Uiso 1 1 calc GR . . . .
C53 C -0.1857(8) 0.0191(7) 0.1073(7) 0.189(6) Uani 1 1 d . . . . .
H53A H -0.156126 -0.006727 0.064406 0.283 Uiso 1 1 calc GR . . . .
H53B H -0.277521 0.005786 0.099092 0.283 Uiso 1 1 calc GR . . . .
H53C H -0.172974 -0.025195 0.139612 0.283 Uiso 1 1 calc GR . . . .
C54 C 0.1523(14) -0.1149(8) 0.1631(10) 0.109(4) Uani 0.5 1 d D U P B 3
H54A H 0.106180 -0.113818 0.202960 0.163 Uiso 0.5 1 calc GR . P B 3
H54B H 0.186047 -0.177536 0.158075 0.163 Uiso 0.5 1 calc GR . P B 3
H54C H 0.092951 -0.128447 0.122427 0.163 Uiso 0.5 1 calc GR . P B 3
C55 C 0.3356(18) 0.0274(12) 0.2449(6) 0.100(4) Uani 0.5 1 d D U P B 3
H55A H 0.412264 0.099775 0.254759 0.149 Uiso 0.5 1 calc GR . P B 3
H55B H 0.361447 -0.038203 0.247824 0.149 Uiso 0.5 1 calc GR . P B 3
H55C H 0.276063 0.033991 0.277991 0.149 Uiso 0.5 1 calc GR . P B 3
C56 C 0.3508(17) 0.0005(14) 0.1154(8) 0.107(4) Uani 0.5 1 d D U P B 3
H56A H 0.295114 -0.033484 0.071661 0.161 Uiso 0.5 1 calc GR . P B 3
H56B H 0.399797 -0.048200 0.121849 0.161 Uiso 0.5 1 calc GR . P B 3
H56C H 0.410720 0.079373 0.115871 0.161 Uiso 0.5 1 calc GR . P B 3
C54A C 0.4129(14) 0.0469(17) 0.1632(14) 0.152(6) Uani 0.5 1 d D U P B 4
H54D H 0.429670 0.094885 0.129805 0.228 Uiso 0.5 1 calc GR . P B 4
H54E H 0.435272 -0.021597 0.147108 0.228 Uiso 0.5 1 calc GR . P B 4
H54F H 0.465422 0.092862 0.206717 0.228 Uiso 0.5 1 calc GR . P B 4
C55A C 0.199(3) -0.0891(17) 0.1074(11) 0.191(8) Uani 0.5 1 d D U P B 4
H55D H 0.120825 -0.146027 0.117499 0.286 Uiso 0.5 1 calc GR . P B 4
H55E H 0.257231 -0.128511 0.090666 0.286 Uiso 0.5 1 calc GR . P B 4
H55F H 0.176850 -0.053251 0.072632 0.286 Uiso 0.5 1 calc GR . P B 4
C56A C 0.258(3) -0.0299(19) 0.2390(9) 0.157(7) Uani 0.5 1 d D U P B 4
H56D H 0.327794 0.027991 0.273309 0.236 Uiso 0.5 1 calc GR . P B 4
H56E H 0.265965 -0.106223 0.232947 0.236 Uiso 0.5 1 calc GR . P B 4
H56F H 0.174643 -0.035208 0.253841 0.236 Uiso 0.5 1 calc GR . P B 4
N1 N 0.5013(3) 0.4351(3) 0.17913(17) 0.0533(8) Uani 1 1 d . . . . .
N2 N 0.2999(3) 0.5018(3) 0.14992(16) 0.0492(7) Uani 1 1 d . . . . .
N3 N 0.7578(6) 0.6664(4) 0.0317(3) 0.1043(19) Uani 1 1 d . . . . .
H3A H 0.824756 0.649494 0.042433 0.125 Uiso 1 1 calc R . . . .
N4 N 0.5452(6) 0.7287(4) -0.0023(2) 0.1013(19) Uani 1 1 d . . . . .
O1 O 0.1892(2) 0.2949(2) 0.32419(14) 0.0508(6) Uani 1 1 d . . . . .
O2 O 0.4576(2) 0.3766(2) 0.32779(14) 0.0527(6) Uani 1 1 d . . . . .
O3 O 0.4603(2) 0.5902(2) 0.29055(15) 0.0516(6) Uani 1 1 d . . . . .
O4 O 0.1957(2) 0.5177(2) 0.29230(14) 0.0510(6) Uani 1 1 d . . . . .
O5 O 0.1077(3) 0.2895(2) 0.17932(14) 0.0531(6) Uani 1 1 d . . . . .
O6 O 0.3107(3) 0.2127(2) 0.19615(15) 0.0556(7) Uani 1 1 d . . . . .
Dy1 Dy 0.30695(2) 0.39739(2) 0.25107(2) 0.03993(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.395(6) . ?
C1 N2 1.312(6) . ?
C2 C3 1.353(8) . ?
C3 C4 1.378(8) . ?
C4 C5 1.407(5) . ?
C4 C11 1.450(7) . ?
C5 C6 1.446(6) . ?
C5 N2 1.348(5) . ?
C6 C7 1.403(6) . ?
C6 N1 1.360(5) . ?
C7 C8 1.381(8) . ?
C7 C12 1.448(7) . ?
C8 C9 1.353(8) . ?
C9 C10 1.397(7) . ?
C10 N1 1.313(6) . ?
C11 C12 1.376(8) . ?
C11 N4 1.354(6) . ?
C12 N3 1.359(6) . ?
C13 C14 1.337(12) . ?
C13 N4 1.325(10) . ?
C14 N3 1.319(10) . ?
C16 C17 1.534(5) . ?
C16 C31 1.503(7) . ?
C16 C32 1.513(7) . ?
C16 C33 1.514(7) . ?
C17 C18 1.391(5) . ?
C17 O1 1.252(4) . ?
C18 C19 1.387(5) . ?
C19 C20 1.549(6) . ?
C19 O2 1.259(5) . ?
C20 C34 1.496(11) . ?
C20 C35 1.513(11) . ?
C20 C36 1.487(12) . ?
C20 C34A 1.517(12) . ?
C20 C35A 1.497(12) . ?
C20 C36A 1.487(11) . ?
C21 C22 1.530(5) . ?
C21 C41 1.458(8) . ?
C21 C42 1.487(8) . ?
C21 C43 1.486(8) . ?
C22 C23 1.398(6) . ?
C22 O3 1.250(4) . ?
C23 C24 1.381(6) . ?
C24 C25 1.533(5) . ?
C24 O4 1.265(4) . ?
C25 C44 1.519(7) . ?
C25 C45 1.485(8) . ?
C25 C46 1.512(8) . ?
C26 C27 1.551(6) . ?
C26 C51 1.500(9) . ?
C26 C52 1.525(9) . ?
C26 C53 1.490(8) . ?
C27 C28 1.396(6) . ?
C27 O5 1.256(5) . ?
C28 C29 1.384(7) . ?
C29 C30 1.540(6) . ?
C29 O6 1.254(5) . ?
C30 C54 1.549(10) . ?
C30 C55 1.515(11) . ?
C30 C56 1.494(11) . ?
C30 C54A 1.519(12) . ?
C30 C55A 1.511(12) . ?
C30 C56A 1.476(12) . ?
N1 Dy1 2.579(3) . ?
N2 Dy1 2.614(3) . ?
O1 Dy1 2.270(2) . ?
O2 Dy1 2.311(3) . ?
O3 Dy1 2.319(3) . ?
O4 Dy1 2.291(2) . ?
O5 Dy1 2.331(3) . ?
O6 Dy1 2.334(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 C2 123.1(5) . . ?
C3 C2 C1 118.8(5) . . ?
C2 C3 C4 120.0(4) . . ?
C3 C4 C5 117.8(5) . . ?
C3 C4 C11 123.2(5) . . ?
C5 C4 C11 119.0(5) . . ?
C4 C5 C6 119.8(4) . . ?
N2 C5 C4 122.1(4) . . ?
N2 C5 C6 118.1(3) . . ?
C7 C6 C5 121.1(4) . . ?
N1 C6 C5 116.7(3) . . ?
N1 C6 C7 122.3(4) . . ?
C6 C7 C12 118.1(5) . . ?
C8 C7 C6 118.0(5) . . ?
C8 C7 C12 123.9(5) . . ?
C9 C8 C7 119.3(5) . . ?
C8 C9 C10 119.9(5) . . ?
N1 C10 C9 122.6(5) . . ?
C12 C11 C4 120.5(4) . . ?
N4 C11 C4 117.7(6) . . ?
N4 C11 C12 121.7(5) . . ?
C11 C12 C7 121.5(4) . . ?
N3 C12 C7 117.2(6) . . ?
N3 C12 C11 121.3(5) . . ?
N4 C13 C14 123.1(7) . . ?
N3 C14 C13 123.8(7) . . ?
C31 C16 C17 108.8(4) . . ?
C31 C16 C32 109.1(5) . . ?
C31 C16 C33 108.3(5) . . ?
C32 C16 C17 106.8(4) . . ?
C32 C16 C33 109.5(5) . . ?
C33 C16 C17 114.3(4) . . ?
C18 C17 C16 121.1(3) . . ?
O1 C17 C16 115.0(3) . . ?
O1 C17 C18 123.8(3) . . ?
C19 C18 C17 124.3(4) . . ?
C18 C19 C20 119.5(4) . . ?
O2 C19 C18 124.8(4) . . ?
O2 C19 C20 115.7(4) . . ?
C34 C20 C19 114.1(7) . . ?
C34 C20 C35 102.9(14) . . ?
C35 C20 C19 105.6(7) . . ?
C36 C20 C19 108.1(7) . . ?
C36 C20 C34 118.9(14) . . ?
C36 C20 C35 105.8(12) . . ?
C34A C20 C19 107.6(8) . . ?
C35A C20 C19 111.6(9) . . ?
C35A C20 C34A 115.3(16) . . ?
C36A C20 C19 111.3(7) . . ?
C36A C20 C34A 105.5(12) . . ?
C36A C20 C35A 105.4(12) . . ?
C41 C21 C22 108.0(4) . . ?
C41 C21 C42 109.7(7) . . ?
C41 C21 C43 109.5(8) . . ?
C42 C21 C22 113.1(4) . . ?
C43 C21 C22 109.1(4) . . ?
C43 C21 C42 107.4(7) . . ?
C23 C22 C21 120.5(3) . . ?
O3 C22 C21 116.1(3) . . ?
O3 C22 C23 123.5(4) . . ?
C24 C23 C22 124.1(4) . . ?
C23 C24 C25 121.1(4) . . ?
O4 C24 C23 124.3(4) . . ?
O4 C24 C25 114.6(3) . . ?
C44 C25 C24 114.2(4) . . ?
C45 C25 C24 108.5(4) . . ?
C45 C25 C44 110.2(6) . . ?
C45 C25 C46 109.6(7) . . ?
C46 C25 C24 107.5(4) . . ?
C46 C25 C44 106.7(5) . . ?
C51 C26 C27 108.7(5) . . ?
C51 C26 C52 108.2(5) . . ?
C52 C26 C27 106.9(4) . . ?
C53 C26 C27 114.4(5) . . ?
C53 C26 C51 110.8(6) . . ?
C53 C26 C52 107.6(7) . . ?
C28 C27 C26 121.2(4) . . ?
O5 C27 C26 115.3(4) . . ?
O5 C27 C28 123.5(4) . . ?
C29 C28 C27 125.0(4) . . ?
C28 C29 C30 120.9(4) . . ?
O6 C29 C28 124.0(4) . . ?
O6 C29 C30 115.1(4) . . ?
C29 C30 C54 113.0(6) . . ?
C55 C30 C29 104.9(7) . . ?
C55 C30 C54 103.3(9) . . ?
C56 C30 C29 109.8(7) . . ?
C56 C30 C54 109.9(9) . . ?
C56 C30 C55 115.8(11) . . ?
C54A C30 C29 109.3(8) . . ?
C55A C30 C29 109.1(8) . . ?
C55A C30 C54A 104.2(14) . . ?
C56A C30 C29 110.5(9) . . ?
C56A C30 C54A 106.0(15) . . ?
C56A C30 C55A 117.3(14) . . ?
C6 N1 Dy1 120.8(3) . . ?
C10 N1 C6 118.0(4) . . ?
C10 N1 Dy1 120.2(3) . . ?
C1 N2 C5 118.2(4) . . ?
C1 N2 Dy1 121.9(3) . . ?
C5 N2 Dy1 119.3(3) . . ?
C14 N3 C12 114.9(7) . . ?
C13 N4 C11 115.0(7) . . ?
C17 O1 Dy1 138.0(2) . . ?
C19 O2 Dy1 135.5(2) . . ?
C22 O3 Dy1 137.8(2) . . ?
C24 O4 Dy1 137.8(2) . . ?
C27 O5 Dy1 133.3(3) . . ?
C29 O6 Dy1 132.5(3) . . ?
N1 Dy1 N2 62.44(11) . . ?
O1 Dy1 N1 148.42(11) . . ?
O1 Dy1 N2 146.12(10) . . ?
O1 Dy1 O2 73.47(9) . . ?
O1 Dy1 O3 121.75(10) . . ?
O1 Dy1 O4 79.87(10) . . ?
O1 Dy1 O5 79.90(10) . . ?
O1 Dy1 O6 84.04(10) . . ?
O2 Dy1 N1 81.61(11) . . ?
O2 Dy1 N2 140.12(10) . . ?
O2 Dy1 O3 76.78(10) . . ?
O2 Dy1 O5 141.93(10) . . ?
O2 Dy1 O6 78.57(10) . . ?
O3 Dy1 N1 69.03(10) . . ?
O3 Dy1 N2 74.70(10) . . ?
O3 Dy1 O5 141.20(9) . . ?
O3 Dy1 O6 136.27(10) . . ?
O4 Dy1 N1 130.06(10) . . ?
O4 Dy1 N2 77.99(10) . . ?
O4 Dy1 O2 118.47(10) . . ?
O4 Dy1 O3 72.19(9) . . ?
O4 Dy1 O5 82.00(10) . . ?
O4 Dy1 O6 151.40(10) . . ?
O5 Dy1 N1 110.61(11) . . ?
O5 Dy1 N2 71.90(10) . . ?
O5 Dy1 O6 71.96(10) . . ?
O6 Dy1 N1 72.07(10) . . ?
O6 Dy1 N2 104.07(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
