#------------------------------------------------------------------------------
#$Date: 2020-05-05 16:25:09 +0300 (Tue, 05 May 2020) $
#$Revision: 251643 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/37/7703732.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7703732
loop_
_publ_author_name
'Meng, Ting'
'Liu, Tong'
'Qin, Qi-Pin'
'Chen, Zi-Lu'
'Zou, Hua-Hong'
'Wang, Kai'
'Liang, Fu-Pei'
_publ_section_title
;
 Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism
 of in vitro anticancer activity.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4404
_journal_page_last               4415
_journal_paper_doi               10.1039/d0dt00210k
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C71 H53 Dy5 N16 O22, 2(C H4 O)'
_chemical_formula_sum            'C73 H61 Dy5 N16 O24'
_chemical_formula_weight         2358.87
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-03-10
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-07-01 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_cell_angle_alpha                111.135(2)
_cell_angle_beta                 90.178(2)
_cell_angle_gamma                101.146(2)
_cell_formula_units_Z            2
_cell_length_a                   15.3966(8)
_cell_length_b                   17.1849(9)
_cell_length_c                   20.4428(10)
_cell_measurement_reflns_used    9233
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.42
_cell_volume                     4934.2(4)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150.01
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0831
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            97397
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.474
_diffrn_reflns_theta_min         2.143
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.809
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6377
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0884 before and 0.0689 after correction.
The Ratio of minimum to maximum transmission is 0.8555.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_description       block
_exptl_crystal_F_000             2266
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         4.575
_refine_diff_density_min         -2.643
_refine_diff_density_rms         0.277
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1077
_refine_ls_number_reflns         20341
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0668
_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)+(0.0763P)²+132.5444P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1562
_refine_ls_wR_factor_ref         0.2054
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13248
_reflns_number_total             20341
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00210k2.cif
_cod_data_source_block           mo_1219_1_0m_sq
_cod_depositor_comments
'Adding full bibliography for 7703732--7703737.cif.'
_cod_database_code               7703732
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_max   0.618
_shelx_estimated_absorpt_t_min   0.405
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O22-H22
 0.87 with sigma of 0.01
 H22-H23
 2.2 with sigma of 0.02
 C71-H22
 1.956966 with sigma of 0.02
 Dy1-H22
 2.958828 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C29 \\sim C30 \\sim C25: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C67 \\sim C68: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C54) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C4)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C37) \\sim Ueq, Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C67) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C21) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Rotating group:
 O20(H20A,H20B)
4.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C10(H10), C41(H41), C19(H19), C40(H40), C11(H11), C20(H20), C15(H15),
 C59(H59), C52(H52), C16(H16), C51(H51), C45(H45), C3(H3), C2(H2), C37(H37),
 C54(H54), C24(H24), C46(H46), C5(H5), C56(H56), C32(H32), C57(H57), C4(H4),
 C58(H58), C34(H34), C29(H29), C33(H33), C35(H35), C28(H28), C26(H26), C27(H27)
4.c Idealised Me refined as rotating group:
 C65(H65A,H65B,H65C), C71(H71A,H71B,H71C), C67(H67A,H67B,H67C), C63(H63A,H63B,
 H63C), C61(H61A,H61B,H61C), C72(H72A,H72B,H72C), C73(H73A,H73B,H73C), C69(H69A,
 H69B,H69C)
4.d Idealised tetrahedral OH refined as rotating group:
 O24(H24A), O23(H23)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.66640(4) 0.71428(4) 0.37756(3) 0.02388(14) Uani 1 1 d D . . . .
Dy2 Dy 0.65990(4) 0.51219(4) 0.16198(3) 0.02310(14) Uani 1 1 d . . . . .
Dy3 Dy 0.53289(4) 0.68770(4) 0.21214(3) 0.02452(14) Uani 1 1 d . . . . .
Dy4 Dy 0.64312(4) 0.45421(4) 0.33165(3) 0.02664(15) Uani 1 1 d . . . . .
Dy5 Dy 0.89424(4) 0.80631(4) 0.29798(3) 0.02671(15) Uani 1 1 d . . . . .
O19 O 0.6591(5) 0.6489(5) 0.2504(4) 0.0219(17) Uani 1 1 d . . . . .
O16 O 0.7455(5) 0.5837(5) 0.3434(5) 0.0293(19) Uani 1 1 d . . . . .
O6 O 0.7669(5) 0.8344(5) 0.3647(5) 0.0282(19) Uani 1 1 d . . . . .
O21 O 0.5493(5) 0.7416(6) 0.3298(4) 0.0279(19) Uani 1 1 d . . . . .
O15 O 0.8282(5) 0.6988(5) 0.3410(4) 0.0268(18) Uani 1 1 d . . . . .
O20 O 0.5395(5) 0.3964(5) 0.0996(4) 0.0242(18) Uani 1 1 d . . . . .
H20A H 0.544560 0.349700 0.107329 0.036 Uiso 1 1 d GR . . . .
H20B H 0.543186 0.381603 0.053541 0.036 Uiso 1 1 d GR . . . .
O9 O 0.9225(5) 0.6832(6) 0.2083(5) 0.030(2) Uani 1 1 d . . . . .
O3 O 0.7003(5) 0.4280(5) 0.2193(4) 0.0254(18) Uani 1 1 d . . . . .
O2 O 0.5847(6) 0.5894(5) 0.1167(4) 0.0270(19) Uani 1 1 d . . . . .
O14 O 0.5547(5) 0.4859(5) 0.2452(4) 0.0254(18) Uani 1 1 d . . . . .
O7 O 0.5920(6) 0.5843(5) 0.3918(4) 0.0279(19) Uani 1 1 d . . . . .
O1 O 0.4190(5) 0.7524(6) 0.2210(5) 0.031(2) Uani 1 1 d . . . . .
O12 O 0.6400(5) 0.7930(5) 0.1963(5) 0.0268(18) Uani 1 1 d . . . . .
O13 O 0.4644(5) 0.5577(6) 0.2193(5) 0.031(2) Uani 1 1 d . . . . .
O10 O 0.8008(6) 0.5793(6) 0.1721(5) 0.031(2) Uani 1 1 d . . . . .
O11 O 0.7755(6) 0.7726(6) 0.2132(5) 0.033(2) Uani 1 1 d . . . . .
O4 O 0.7054(6) 0.4678(6) 0.4324(5) 0.035(2) Uani 1 1 d . . . . .
O5 O 0.9791(6) 0.8701(6) 0.2382(5) 0.037(2) Uani 1 1 d . . . . .
O8 O 0.5742(6) 0.3161(5) 0.2818(5) 0.033(2) Uani 1 1 d . . . . .
O17 O 1.0285(6) 0.7842(7) 0.3451(5) 0.038(2) Uani 1 1 d . . . . .
N2 N 0.5340(6) 0.6328(6) 0.0328(5) 0.025(2) Uani 1 1 d . . . . .
O22 O 0.7513(7) 0.7447(6) 0.4856(5) 0.040(2) Uani 1 1 d D . . . .
H22 H 0.782(5) 0.7962(14) 0.509(3) 0.060 Uiso 1 1 d DR . . . .
N6 N 0.7418(6) 0.3980(6) 0.0915(5) 0.023(2) Uani 1 1 d . . . . .
N1 N 0.4902(6) 0.6821(6) 0.0908(5) 0.023(2) Uani 1 1 d . . . . .
N12 N 0.5479(7) 0.7296(6) 0.4689(6) 0.028(2) Uani 1 1 d . . . . .
N9 N 0.6512(6) 0.8673(7) 0.4591(5) 0.025(2) Uani 1 1 d . . . . .
N3 N 0.6728(6) 0.4903(6) 0.0318(5) 0.023(2) Uani 1 1 d . . . . .
N14 N 0.4972(7) 0.4351(7) 0.3841(5) 0.029(2) Uani 1 1 d . . . . .
O18 O 0.9574(6) 0.8714(6) 0.4195(5) 0.041(2) Uani 1 1 d . . . . .
N13 N 0.4701(7) 0.5089(7) 0.4261(6) 0.029(2) Uani 1 1 d . . . . .
N8 N 0.8148(7) 0.9799(7) 0.3875(6) 0.030(2) Uani 1 1 d . . . . .
N5 N 0.8735(6) 0.2629(7) -0.1234(6) 0.030(2) Uani 1 1 d . . . . .
N10 N 0.4927(7) 1.0492(7) 0.6320(6) 0.033(2) Uani 1 1 d . . . . .
C8 C 0.5804(7) 0.5907(7) 0.0534(6) 0.023(2) Uani 1 1 d . . . . .
O24 O 0.3663(9) 0.7645(7) 0.3575(6) 0.058(3) Uani 1 1 d . . . . .
H24A H 0.374218 0.764868 0.317008 0.087 Uiso 1 1 calc GR . . . .
N7 N 0.8753(7) 0.9571(7) 0.3358(6) 0.033(3) Uani 1 1 d . . . . .
C9 C 0.6337(8) 0.5346(8) 0.0034(6) 0.025(3) Uani 1 1 d . . . . .
C66 C 0.8219(8) 0.6225(8) 0.3368(6) 0.023(2) Uani 1 1 d . . . . .
N4 N 0.8022(7) 0.3622(7) -0.1847(6) 0.033(3) Uani 1 1 d . . . . .
N15 N 0.7982(8) 0.3507(8) 0.2374(6) 0.038(3) Uani 1 1 d . . . . .
N16 N 0.7774(7) 0.3854(8) 0.3089(6) 0.034(3) Uani 1 1 d . . . . .
C21 C 0.7786(7) 0.3519(7) 0.1216(6) 0.019(2) Uani 1 1 d . U . . .
N11 N 0.3750(8) 0.9022(8) 0.6340(6) 0.036(3) Uani 1 1 d . . . . .
C64 C 0.7234(8) 0.8100(8) 0.1933(7) 0.027(3) Uani 1 1 d . . . . .
C68 C 0.4761(9) 0.4988(8) 0.2373(6) 0.027(3) Uani 1 1 d . U . . .
C7 C 0.4456(8) 0.7300(8) 0.0732(6) 0.027(3) Uani 1 1 d . . . . .
H7 H 0.445243 0.726152 0.025679 0.032 Uiso 1 1 calc R . . . .
C42 C 0.5741(8) 0.9608(8) 0.5453(6) 0.026(3) Uani 1 1 d . . . . .
C38 C 0.7660(8) 0.9152(8) 0.3972(7) 0.032(3) Uani 1 1 d . . . . .
C43 C 0.5875(8) 0.8804(8) 0.5052(6) 0.025(3) Uani 1 1 d . . . . .
C44 C 0.5014(8) 0.9703(8) 0.5924(6) 0.029(3) Uani 1 1 d . . . . .
C13 C 0.7209(7) 0.4353(8) -0.0086(6) 0.023(2) Uani 1 1 d . . . . .
C49 C 0.5292(8) 0.8044(8) 0.5085(6) 0.026(3) Uani 1 1 d . . . . .
C39 C 0.7011(8) 0.9350(8) 0.4515(6) 0.024(3) Uani 1 1 d . . . . .
C22 C 0.7588(8) 0.3863(8) 0.0241(7) 0.028(3) Uani 1 1 d . . . . .
C10 C 0.6428(8) 0.5291(9) -0.0655(6) 0.031(3) Uani 1 1 d . . . . .
H10 H 0.613927 0.561526 -0.084204 0.038 Uiso 1 1 calc R . . . .
O23 O 0.8678(9) 0.8862(9) 0.5363(8) 0.078(4) Uani 1 1 d . . . . .
H23 H 0.891516 0.896485 0.502512 0.117 Uiso 1 1 calc DGR . . . .
C12 C 0.7354(7) 0.4286(8) -0.0775(6) 0.024(3) Uani 1 1 d . . . . .
C47 C 0.4452(8) 0.8963(8) 0.5939(7) 0.029(3) Uani 1 1 d . . . . .
C23 C 0.7576(8) 0.3789(8) 0.1980(7) 0.029(3) Uani 1 1 d . . . . .
C1 C 0.3847(8) 0.7972(9) 0.1904(7) 0.032(3) Uani 1 1 d . . . . .
C41 C 0.6306(9) 1.0323(8) 0.5383(6) 0.030(3) Uani 1 1 d . . . . .
H41 H 0.624969 1.088426 0.566481 0.036 Uiso 1 1 calc R . . . .
C62 C 0.8834(8) 0.6106(8) 0.1711(7) 0.032(3) Uani 1 1 d . . . . .
C19 C 0.8458(9) 0.2830(8) 0.0212(7) 0.033(3) Uani 1 1 d . . . . .
H19 H 0.881431 0.243636 -0.002683 0.040 Uiso 1 1 calc R . . . .
C14 C 0.7892(8) 0.3686(8) -0.1172(7) 0.027(3) Uani 1 1 d . . . . .
C6 C 0.3971(8) 0.7878(9) 0.1197(8) 0.035(3) Uani 1 1 d . . . . .
C48 C 0.4579(9) 0.8135(8) 0.5497(6) 0.030(3) Uani 1 1 d . . . . .
C53 C 0.5215(8) 0.5778(8) 0.4265(6) 0.027(3) Uani 1 1 d . . . . .
C18 C 0.8107(8) 0.3289(8) -0.0146(7) 0.031(3) Uani 1 1 d . . . . .
C65 C 0.8995(9) 0.5825(10) 0.3250(8) 0.038(3) Uani 1 1 d . . . . .
H65A H 0.901819 0.552354 0.357252 0.058 Uiso 1 1 calc GR . . . .
H65B H 0.953692 0.626623 0.333416 0.058 Uiso 1 1 calc GR . . . .
H65C H 0.894720 0.541995 0.276302 0.058 Uiso 1 1 calc GR . . . .
C40 C 0.6932(8) 1.0198(8) 0.4905(6) 0.027(3) Uani 1 1 d . . . . .
H40 H 0.730474 1.066685 0.483662 0.032 Uiso 1 1 calc R . . . .
C31 C 1.0077(8) 0.9431(9) 0.2307(8) 0.034(3) Uani 1 1 d . . . . .
C50 C 0.4960(8) 0.6592(8) 0.4693(7) 0.028(3) Uani 1 1 d . . . . .
C70 C 1.0176(9) 0.8282(10) 0.4074(7) 0.037(3) Uani 1 1 d . . . . .
C17 C 0.8249(7) 0.3193(8) -0.0876(7) 0.028(3) Uani 1 1 d . . . . .
C11 C 0.6944(8) 0.4758(9) -0.1066(7) 0.030(3) Uani 1 1 d . . . . .
H11 H 0.701868 0.471250 -0.153862 0.036 Uiso 1 1 calc R . . . .
C20 C 0.8291(9) 0.2946(9) 0.0889(7) 0.036(3) Uani 1 1 d . . . . .
H20 H 0.851977 0.263664 0.112673 0.044 Uiso 1 1 calc R . . . .
C15 C 0.8482(9) 0.3039(8) -0.2204(8) 0.034(3) Uani 1 1 d . . . . .
H15 H 0.856987 0.294746 -0.268353 0.041 Uiso 1 1 calc R . . . .
C59 C 0.5137(9) 0.1718(9) 0.2587(8) 0.037(3) Uani 1 1 d . . . . .
H59 H 0.560128 0.154997 0.229761 0.045 Uiso 1 1 calc R . . . .
C52 C 0.4049(8) 0.7361(8) 0.5510(7) 0.030(3) Uani 1 1 d . . . . .
H52 H 0.356533 0.738180 0.579946 0.036 Uiso 1 1 calc R . . . .
C16 C 0.8834(7) 0.2564(8) -0.1885(7) 0.029(3) Uani 1 1 d . . . . .
H16 H 0.916698 0.216723 -0.215847 0.035 Uiso 1 1 calc R . . . .
C60 C 0.5136(9) 0.2591(9) 0.2922(7) 0.033(3) Uani 1 1 d . . . . .
C55 C 0.4469(8) 0.2816(9) 0.3402(7) 0.033(3) Uani 1 1 d . . . . .
C51 C 0.4232(9) 0.6595(8) 0.5113(6) 0.031(3) Uani 1 1 d . . . . .
H51 H 0.388201 0.607693 0.511684 0.037 Uiso 1 1 calc R . . . .
C45 C 0.4255(9) 1.0535(9) 0.6724(7) 0.038(3) Uani 1 1 d . . . . .
H45 H 0.416765 1.107948 0.702164 0.046 Uiso 1 1 calc R . . . .
C3 C 0.2957(8) 0.9015(9) 0.1999(9) 0.042(4) Uani 1 1 d . . . . .
H3 H 0.260191 0.938834 0.227202 0.050 Uiso 1 1 calc R . . . .
C2 C 0.3337(8) 0.8548(10) 0.2279(8) 0.041(4) Uani 1 1 d . . . . .
H2 H 0.325349 0.861632 0.275566 0.049 Uiso 1 1 calc R . . . .
C37 C 0.9145(9) 1.0228(10) 0.3218(8) 0.039(3) Uani 1 1 d . U . . .
H37 H 0.901502 1.076738 0.348100 0.047 Uiso 1 1 calc R . . . .
C71 C 0.7855(12) 0.6845(10) 0.5106(8) 0.052(4) Uani 1 1 d D . . . .
H71A H 0.835428 0.666428 0.483797 0.078 Uiso 1 1 calc GR . . . .
H71B H 0.738122 0.634494 0.503814 0.078 Uiso 1 1 calc GR . . . .
H71C H 0.805444 0.712787 0.560666 0.078 Uiso 1 1 calc GR . . . .
C30 C 0.7728(9) 0.4562(10) 0.4702(9) 0.042(3) Uani 1 1 d . U . . .
C54 C 0.4401(10) 0.3672(9) 0.3813(9) 0.044(4) Uani 1 1 d . U . . .
H54 H 0.390336 0.374993 0.408507 0.053 Uiso 1 1 calc R . . . .
C24 C 0.8342(10) 0.3765(11) 0.3515(9) 0.048(4) Uani 1 1 d . . . . .
H24 H 0.880672 0.348504 0.331460 0.058 Uiso 1 1 calc R . . . .
C67 C 0.3987(10) 0.4393(10) 0.2472(8) 0.042(3) Uani 1 1 d . U . . .
H67A H 0.416358 0.386345 0.244275 0.064 Uiso 1 1 calc GR . . . .
H67B H 0.351369 0.426480 0.210462 0.064 Uiso 1 1 calc GR . . . .
H67C H 0.377218 0.465539 0.293495 0.064 Uiso 1 1 calc GR . . . .
C46 C 0.3663(10) 0.9801(9) 0.6726(8) 0.041(3) Uani 1 1 d . . . . .
H46 H 0.318271 0.986911 0.701783 0.050 Uiso 1 1 calc R . . . .
C5 C 0.3577(10) 0.8380(9) 0.0914(9) 0.042(4) Uani 1 1 d . . . . .
H5 H 0.365686 0.831858 0.043838 0.050 Uiso 1 1 calc R . . . .
C56 C 0.3816(11) 0.2162(9) 0.3479(9) 0.046(4) Uani 1 1 d . . . . .
H56 H 0.336874 0.231975 0.378981 0.055 Uiso 1 1 calc R . . . .
C32 C 1.0711(10) 0.9465(11) 0.1799(10) 0.053(4) Uani 1 1 d . . . . .
H32 H 1.092049 0.896832 0.153038 0.063 Uiso 1 1 calc R . . . .
C63 C 0.7613(10) 0.8766(11) 0.1647(9) 0.049(4) Uani 1 1 d . . . . .
H63A H 0.742557 0.856163 0.114446 0.074 Uiso 1 1 calc GR . . . .
H63B H 0.826219 0.888469 0.171144 0.074 Uiso 1 1 calc GR . . . .
H63C H 0.739909 0.928853 0.189656 0.074 Uiso 1 1 calc GR . . . .
C25 C 0.8318(10) 0.4060(11) 0.4271(9) 0.046(3) Uani 1 1 d . U . . .
C36 C 0.9782(10) 1.0183(10) 0.2672(9) 0.045(4) Uani 1 1 d . . . . .
C57 C 0.3795(10) 0.1314(10) 0.3130(9) 0.047(4) Uani 1 1 d . . . . .
H57 H 0.334546 0.088939 0.319352 0.056 Uiso 1 1 calc R . . . .
C4 C 0.3092(10) 0.8943(9) 0.1291(9) 0.044(4) Uani 1 1 d . U . . .
H4 H 0.284816 0.928133 0.109003 0.053 Uiso 1 1 calc R . . . .
C58 C 0.4465(10) 0.1091(9) 0.2672(8) 0.044(4) Uani 1 1 d . . . . .
H58 H 0.446119 0.050575 0.241608 0.053 Uiso 1 1 calc R . . . .
C61 C 0.9370(11) 0.5508(11) 0.1222(10) 0.067(6) Uani 1 1 d . . . . .
H61A H 0.925058 0.546523 0.073751 0.100 Uiso 1 1 calc GR . . . .
H61B H 0.919788 0.494113 0.124874 0.100 Uiso 1 1 calc GR . . . .
H61C H 1.000433 0.573271 0.136460 0.100 Uiso 1 1 calc GR . . . .
C72 C 0.8651(15) 0.9623(13) 0.5906(12) 0.077(6) Uani 1 1 d . . . . .
H72A H 0.823721 0.990937 0.576184 0.116 Uiso 1 1 calc GR . . . .
H72B H 0.924550 0.999116 0.601776 0.116 Uiso 1 1 calc GR . . . .
H72C H 0.845177 0.950649 0.632260 0.116 Uiso 1 1 calc GR . . . .
C73 C 0.3192(13) 0.6821(13) 0.3523(11) 0.067(5) Uani 1 1 d . . . . .
H73A H 0.273516 0.659761 0.312890 0.100 Uiso 1 1 calc GR . . . .
H73B H 0.291106 0.686456 0.396057 0.100 Uiso 1 1 calc GR . . . .
H73C H 0.360722 0.643568 0.344319 0.100 Uiso 1 1 calc GR . . . .
C69 C 1.0648(14) 0.8271(11) 0.4672(9) 0.066(5) Uani 1 1 d . U . . .
H69A H 1.085404 0.885654 0.500713 0.099 Uiso 1 1 calc GR . . . .
H69B H 1.116051 0.800778 0.452120 0.099 Uiso 1 1 calc GR . . . .
H69C H 1.025442 0.794109 0.489797 0.099 Uiso 1 1 calc GR . . . .
C34 C 1.0742(15) 1.0945(12) 0.2104(13) 0.087(8) Uani 1 1 d . . . . .
H34 H 1.098726 1.146771 0.205041 0.104 Uiso 1 1 calc R . . . .
C29 C 0.7791(12) 0.4828(12) 0.5398(10) 0.060(4) Uani 1 1 d . U . . .
H29 H 0.738606 0.514596 0.566426 0.072 Uiso 1 1 calc R . . . .
C33 C 1.1011(14) 1.0212(13) 0.1704(14) 0.086(8) Uani 1 1 d . . . . .
H33 H 1.141257 1.022705 0.135547 0.103 Uiso 1 1 calc R . . . .
C35 C 1.0134(14) 1.0925(11) 0.2573(13) 0.078(7) Uani 1 1 d . . . . .
H35 H 0.994482 1.143447 0.283914 0.093 Uiso 1 1 calc R . . . .
C28 C 0.8446(14) 0.4636(15) 0.5722(11) 0.076(6) Uani 1 1 d . . . . .
H28 H 0.848779 0.482837 0.622150 0.091 Uiso 1 1 calc R . . . .
C26 C 0.8999(15) 0.391(2) 0.4629(13) 0.102(9) Uani 1 1 d . . . . .
H26 H 0.942613 0.361423 0.436878 0.122 Uiso 1 1 calc R . . . .
C27 C 0.906(2) 0.417(2) 0.5358(14) 0.121(11) Uani 1 1 d . . . . .
H27 H 0.950923 0.403767 0.559990 0.145 Uiso 1 1 calc R . . . .
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'
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
O19 Dy1 Dy3 37.74(18) . . ?
O19 Dy1 O16 71.4(3) . . ?
O19 Dy1 O6 86.0(3) . . ?
O19 Dy1 O15 72.1(3) . . ?
O19 Dy1 N12 133.7(3) . . ?
O19 Dy1 N9 130.6(3) . . ?
O16 Dy1 Dy3 106.0(2) . . ?
O16 Dy1 O15 48.2(3) . . ?
O6 Dy1 Dy3 88.7(2) . . ?
O6 Dy1 O16 108.9(3) . . ?
O6 Dy1 O15 60.8(3) . . ?
O6 Dy1 N12 123.7(3) . . ?
O6 Dy1 N9 62.4(3) . . ?
O21 Dy1 Dy3 32.3(2) . . ?
O21 Dy1 O19 70.1(3) . . ?
O21 Dy1 O16 134.2(3) . . ?
O21 Dy1 O6 92.2(3) . . ?
O21 Dy1 O15 134.6(3) . . ?
O21 Dy1 O7 98.2(3) . . ?
O21 Dy1 O22 144.2(3) . . ?
O21 Dy1 N12 73.8(3) . . ?
O21 Dy1 N9 74.0(3) . . ?
O15 Dy1 Dy3 106.17(19) . . ?
O7 Dy1 Dy3 98.1(2) . . ?
O7 Dy1 O19 93.9(3) . . ?
O7 Dy1 O16 60.8(3) . . ?
O7 Dy1 O6 168.9(3) . . ?
O7 Dy1 O15 108.6(3) . . ?
O7 Dy1 N12 63.5(3) . . ?
O7 Dy1 N9 124.3(3) . . ?
O22 Dy1 Dy3 174.8(2) . . ?
O22 Dy1 O19 145.4(3) . . ?
O22 Dy1 O16 78.7(3) . . ?
O22 Dy1 O6 87.7(3) . . ?
O22 Dy1 O15 75.2(3) . . ?
O22 Dy1 O7 86.1(3) . . ?
O22 Dy1 N12 76.6(3) . . ?
O22 Dy1 N9 74.3(3) . . ?
N12 Dy1 Dy3 102.4(2) . . ?
N12 Dy1 O16 119.9(3) . . ?
N12 Dy1 O15 151.2(3) . . ?
N12 Dy1 N9 61.3(3) . . ?
N9 Dy1 Dy3 100.8(2) . . ?
N9 Dy1 O16 151.8(3) . . ?
N9 Dy1 O15 115.4(3) . . ?
Dy3 Dy2 Dy4 99.964(17) . . ?
O19 Dy2 Dy3 38.37(18) . . ?
O19 Dy2 Dy4 79.24(19) . . ?
O19 Dy2 O20 130.6(3) . . ?
O19 Dy2 O14 73.9(3) . . ?
O19 Dy2 N6 150.9(3) . . ?
O19 Dy2 N3 122.4(3) . . ?
O20 Dy2 Dy3 97.93(19) . . ?
O20 Dy2 Dy4 92.2(2) . . ?
O20 Dy2 O14 70.5(3) . . ?
O20 Dy2 N6 78.2(3) . . ?
O20 Dy2 N3 74.7(3) . . ?
O3 Dy2 Dy3 133.6(2) . . ?
O3 Dy2 Dy4 33.72(19) . . ?
O3 Dy2 O19 106.9(3) . . ?
O3 Dy2 O20 88.6(3) . . ?
O3 Dy2 O2 165.2(3) . . ?
O3 Dy2 O14 66.0(3) . . ?
O3 Dy2 N6 63.9(3) . . ?
O3 Dy2 N3 126.8(3) . . ?
O2 Dy2 Dy3 36.63(19) . . ?
O2 Dy2 Dy4 134.0(2) . . ?
O2 Dy2 O19 70.0(3) . . ?
O2 Dy2 O20 83.3(3) . . ?
O2 Dy2 O14 99.6(3) . . ?
O2 Dy2 N6 125.8(3) . . ?
O2 Dy2 N3 62.7(3) . . ?
O14 Dy2 Dy3 73.2(2) . . ?
O14 Dy2 Dy4 37.75(19) . . ?
O14 Dy2 N6 120.5(3) . . ?
O14 Dy2 N3 142.7(3) . . ?
O10 Dy2 Dy3 104.2(2) . . ?
O10 Dy2 Dy4 102.6(2) . . ?
O10 Dy2 O19 77.7(3) . . ?
O10 Dy2 O20 150.6(3) . . ?
O10 Dy2 O3 89.9(3) . . ?
O10 Dy2 O2 103.2(3) . . ?
O10 Dy2 O14 134.5(3) . . ?
O10 Dy2 N6 74.9(3) . . ?
O10 Dy2 N3 82.8(3) . . ?
N6 Dy2 Dy3 162.3(2) . . ?
N6 Dy2 Dy4 97.5(2) . . ?
N6 Dy2 N3 63.3(3) . . ?
N3 Dy2 Dy3 99.0(2) . . ?
N3 Dy2 Dy4 158.3(2) . . ?
Dy2 Dy3 Dy1 73.491(16) . . ?
O19 Dy3 Dy1 38.43(17) . . ?
O19 Dy3 Dy2 38.48(18) . . ?
O19 Dy3 N1 128.5(3) . . ?
O21 Dy3 Dy1 32.6(2) . . ?
O21 Dy3 Dy2 104.0(2) . . ?
O21 Dy3 O19 71.0(3) . . ?
O21 Dy3 O2 140.1(3) . . ?
O21 Dy3 O12 96.0(3) . . ?
O21 Dy3 O13 87.7(3) . . ?
O21 Dy3 N1 156.3(3) . . ?
O2 Dy3 Dy1 108.1(2) . . ?
O2 Dy3 Dy2 36.6(2) . . ?
O2 Dy3 O19 70.0(3) . . ?
O2 Dy3 N1 62.7(3) . . ?
O1 Dy3 Dy1 119.4(2) . . ?
O1 Dy3 Dy2 159.5(2) . . ?
O1 Dy3 O19 157.7(3) . . ?
O1 Dy3 O21 86.9(3) . . ?
O1 Dy3 O2 132.2(3) . . ?
O1 Dy3 O12 97.5(3) . . ?
O1 Dy3 O13 101.6(3) . . ?
O1 Dy3 N1 72.5(3) . . ?
O12 Dy3 Dy1 89.4(2) . . ?
O12 Dy3 Dy2 98.6(2) . . ?
O12 Dy3 O19 82.8(3) . . ?
O12 Dy3 O2 87.5(3) . . ?
O12 Dy3 O13 160.7(3) . . ?
O12 Dy3 N1 75.9(3) . . ?
O13 Dy3 Dy1 83.5(2) . . ?
O13 Dy3 Dy2 62.2(2) . . ?
O13 Dy3 O19 80.5(3) . . ?
O13 Dy3 O2 77.8(3) . . ?
O13 Dy3 N1 107.3(3) . . ?
N1 Dy3 Dy1 162.7(2) . . ?
N1 Dy3 Dy2 99.2(2) . . ?
O16 Dy4 Dy2 64.3(2) . . ?
O16 Dy4 O14 85.8(3) . . ?
O16 Dy4 O7 64.4(3) . . ?
O16 Dy4 N14 129.0(3) . . ?
O16 Dy4 N16 85.6(3) . . ?
O3 Dy4 Dy2 32.88(19) . . ?
O3 Dy4 O16 74.9(3) . . ?
O3 Dy4 O14 64.5(3) . . ?
O3 Dy4 O7 120.7(3) . . ?
O3 Dy4 N14 139.6(3) . . ?
O3 Dy4 N16 62.8(3) . . ?
O14 Dy4 Dy2 36.92(18) . . ?
O14 Dy4 N14 83.5(3) . . ?
O14 Dy4 N16 127.0(3) . . ?
O7 Dy4 Dy2 89.2(2) . . ?
O7 Dy4 O14 70.9(3) . . ?
O7 Dy4 N14 64.9(3) . . ?
O7 Dy4 N16 145.1(3) . . ?
O4 Dy4 Dy2 148.1(2) . . ?
O4 Dy4 O16 86.1(3) . . ?
O4 Dy4 O3 131.1(3) . . ?
O4 Dy4 O14 159.2(3) . . ?
O4 Dy4 O7 88.2(3) . . ?
O4 Dy4 O8 105.6(3) . . ?
O4 Dy4 N14 86.8(3) . . ?
O4 Dy4 N16 71.3(3) . . ?
O8 Dy4 Dy2 99.0(2) . . ?
O8 Dy4 O16 157.5(3) . . ?
O8 Dy4 O3 83.0(3) . . ?
O8 Dy4 O14 88.8(3) . . ?
O8 Dy4 O7 133.6(3) . . ?
O8 Dy4 N14 71.8(3) . . ?
O8 Dy4 N16 80.3(3) . . ?
N14 Dy4 Dy2 120.4(2) . . ?
N14 Dy4 N16 138.2(3) . . ?
N16 Dy4 Dy2 93.8(2) . . ?
O6 Dy5 O17 123.6(3) . . ?
O6 Dy5 O18 76.4(3) . . ?
O6 Dy5 N7 65.7(3) . . ?
O6 Dy5 C70 99.3(4) . . ?
O15 Dy5 O6 64.7(3) . . ?
O15 Dy5 O17 81.3(3) . . ?
O15 Dy5 O18 80.0(3) . . ?
O15 Dy5 N7 128.6(3) . . ?
O15 Dy5 C70 77.3(4) . . ?
O9 Dy5 O6 132.6(3) . . ?
O9 Dy5 O15 79.4(3) . . ?
O9 Dy5 O17 76.8(3) . . ?
O9 Dy5 O18 128.2(3) . . ?
O9 Dy5 N7 149.0(4) . . ?
O9 Dy5 C70 101.9(4) . . ?
O11 Dy5 O6 74.9(3) . . ?
O11 Dy5 O15 93.4(3) . . ?
O11 Dy5 O9 77.6(3) . . ?
O11 Dy5 O17 154.4(3) . . ?
O11 Dy5 O18 150.6(3) . . ?
O11 Dy5 N7 86.5(3) . . ?
O11 Dy5 C70 170.6(4) . . ?
O5 Dy5 O6 134.8(3) . . ?
O5 Dy5 O15 160.0(3) . . ?
O5 Dy5 O9 81.9(3) . . ?
O5 Dy5 O11 89.3(4) . . ?
O5 Dy5 O17 87.6(3) . . ?
O5 Dy5 O18 106.6(4) . . ?
O5 Dy5 N7 71.4(3) . . ?
O5 Dy5 C70 99.9(4) . . ?
O17 Dy5 O18 53.3(3) . . ?
O17 Dy5 N7 116.4(4) . . ?
O17 Dy5 C70 26.6(4) . . ?
O18 Dy5 N7 75.9(4) . . ?
O18 Dy5 C70 26.9(4) . . ?
N7 Dy5 C70 98.0(4) . . ?
Dy2 O19 Dy1 138.6(4) . . ?
Dy3 O19 Dy1 103.8(3) . . ?
Dy3 O19 Dy2 103.1(3) . . ?
Dy4 O16 Dy1 111.6(3) . . ?
C66 O16 Dy1 97.7(7) . . ?
C66 O16 Dy4 150.5(8) . . ?
Dy5 O6 Dy1 117.8(3) . . ?
C38 O6 Dy1 126.6(7) . . ?
C38 O6 Dy5 115.1(7) . . ?
Dy3 O21 Dy1 115.1(3) . . ?
Dy5 O15 Dy1 111.3(3) . . ?
C66 O15 Dy1 97.5(7) . . ?
C66 O15 Dy5 146.4(7) . . ?
Dy2 O20 H20A 110.3 . . ?
Dy2 O20 H20B 110.2 . . ?
H20A O20 H20B 103.7 . . ?
C62 O9 Dy5 139.7(8) . . ?
Dy2 O3 Dy4 113.4(3) . . ?
C23 O3 Dy2 124.7(8) . . ?
C23 O3 Dy4 121.3(8) . . ?
Dy2 O2 Dy3 106.8(3) . . ?
C8 O2 Dy2 129.9(7) . . ?
C8 O2 Dy3 122.6(7) . . ?
Dy2 O14 Dy4 105.3(3) . . ?
C68 O14 Dy2 116.1(7) . . ?
C68 O14 Dy4 138.2(7) . . ?
Dy4 O7 Dy1 118.8(3) . . ?
C53 O7 Dy1 124.5(8) . . ?
C53 O7 Dy4 116.6(7) . . ?
C1 O1 Dy3 139.2(8) . . ?
C64 O12 Dy3 138.6(8) . . ?
C68 O13 Dy3 144.3(8) . . ?
C62 O10 Dy2 173.1(9) . . ?
C64 O11 Dy5 138.9(8) . . ?
C30 O4 Dy4 149.9(9) . . ?
C31 O5 Dy5 144.5(8) . . ?
C60 O8 Dy4 141.7(8) . . ?
C70 O17 Dy5 93.4(8) . . ?
C8 N2 N1 109.9(10) . . ?
Dy1 O22 H22 120.5(19) . . ?
C71 O22 Dy1 128.4(8) . . ?
C71 O22 H22 108(2) . . ?
C21 N6 Dy2 121.7(7) . . ?
C22 N6 Dy2 121.2(8) . . ?
C22 N6 C21 116.7(10) . . ?
N2 N1 Dy3 117.6(7) . . ?
C7 N1 Dy3 128.9(8) . . ?
C7 N1 N2 112.2(10) . . ?
C49 N12 Dy1 123.4(8) . . ?
C50 N12 Dy1 117.7(8) . . ?
C50 N12 C49 118.3(11) . . ?
C43 N9 Dy1 122.1(8) . . ?
C39 N9 Dy1 119.9(7) . . ?
C39 N9 C43 117.7(10) . . ?
C9 N3 Dy2 120.1(7) . . ?
C9 N3 C13 119.0(10) . . ?
C13 N3 Dy2 120.9(8) . . ?
N13 N14 Dy4 116.9(7) . . ?
C54 N14 Dy4 132.0(10) . . ?
C54 N14 N13 111.1(11) . . ?
C70 O18 Dy5 92.8(8) . . ?
C53 N13 N14 113.3(10) . . ?
C38 N8 N7 113.6(10) . . ?
C16 N5 C17 115.3(11) . . ?
C45 N10 C44 115.4(12) . . ?
O2 C8 C9 113.9(10) . . ?
N2 C8 O2 125.2(10) . . ?
N2 C8 C9 120.9(11) . . ?
C73 O24 H24A 109.5 . . ?
N8 N7 Dy5 115.2(7) . . ?
C37 N7 Dy5 133.6(9) . . ?
C37 N7 N8 111.0(10) . . ?
N3 C9 C8 113.3(10) . . ?
N3 C9 C10 122.6(11) . . ?
C10 C9 C8 124.1(11) . . ?
O16 C66 C65 122.8(12) . . ?
O15 C66 O16 116.2(10) . . ?
O15 C66 C65 121.0(11) . . ?
C15 N4 C14 115.7(12) . . ?
C23 N15 N16 111.2(11) . . ?
N15 N16 Dy4 117.0(7) . . ?
C24 N16 Dy4 131.5(10) . . ?
C24 N16 N15 111.5(11) . . ?
N6 C21 C23 108.4(9) . . ?
N6 C21 C20 125.2(11) . . ?
C20 C21 C23 126.3(11) . . ?
C46 N11 C47 116.2(12) . . ?
O12 C64 O11 122.9(12) . . ?
O12 C64 C63 118.2(11) . . ?
O11 C64 C63 118.9(11) . . ?
O14 C68 C67 118.8(11) . . ?
O13 C68 O14 121.4(11) . . ?
O13 C68 C67 119.8(12) . . ?
N1 C7 H7 117.3 . . ?
N1 C7 C6 125.5(12) . . ?
C6 C7 H7 117.3 . . ?
C43 C42 C44 120.3(11) . . ?
C43 C42 C41 118.0(11) . . ?
C41 C42 C44 121.7(11) . . ?
O6 C38 C39 116.2(11) . . ?
N8 C38 O6 127.6(12) . . ?
N8 C38 C39 116.3(11) . . ?
N9 C43 C42 123.2(11) . . ?
N9 C43 C49 116.4(10) . . ?
C42 C43 C49 120.3(11) . . ?
N10 C44 C42 118.3(11) . . ?
N10 C44 C47 123.3(11) . . ?
C47 C44 C42 118.5(11) . . ?
N3 C13 C22 116.6(11) . . ?
N3 C13 C12 121.5(11) . . ?
C12 C13 C22 121.9(11) . . ?
N12 C49 C43 116.3(10) . . ?
N12 C49 C48 124.6(12) . . ?
C48 C49 C43 119.1(11) . . ?
N9 C39 C38 114.6(10) . . ?
N9 C39 C40 123.4(10) . . ?
C40 C39 C38 121.9(11) . . ?
N6 C22 C13 117.6(11) . . ?
N6 C22 C18 122.9(12) . . ?
C18 C22 C13 119.6(12) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 C9 119.1(12) . . ?
C11 C10 H10 120.5 . . ?
C72 O23 H23 109.5 . . ?
C13 C12 C14 118.0(11) . . ?
C13 C12 C11 118.8(10) . . ?
C11 C12 C14 123.1(11) . . ?
N11 C47 C44 120.3(11) . . ?
N11 C47 C48 119.1(11) . . ?
C44 C47 C48 120.4(11) . . ?
O3 C23 C21 118.5(11) . . ?
N15 C23 O3 124.7(12) . . ?
N15 C23 C21 116.8(11) . . ?
O1 C1 C6 122.2(11) . . ?
O1 C1 C2 119.9(13) . . ?
C2 C1 C6 118.0(13) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 C42 119.4(11) . . ?
C40 C41 H41 120.3 . . ?
O9 C62 O10 125.1(12) . . ?
O9 C62 C61 118.4(11) . . ?
O10 C62 C61 116.4(12) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C20 C19 C18 120.9(12) . . ?
N4 C14 C12 117.4(11) . . ?
N4 C14 C17 121.2(11) . . ?
C17 C14 C12 121.4(11) . . ?
C1 C6 C7 125.1(12) . . ?
C1 C6 C5 118.2(12) . . ?
C5 C6 C7 116.7(13) . . ?
C49 C48 C47 121.1(12) . . ?
C49 C48 C52 115.7(11) . . ?
C52 C48 C47 122.8(11) . . ?
O7 C53 C50 116.2(11) . . ?
N13 C53 O7 127.5(12) . . ?
N13 C53 C50 116.3(11) . . ?
C22 C18 C19 116.4(12) . . ?
C22 C18 C17 119.4(12) . . ?
C19 C18 C17 124.2(11) . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C39 C40 H40 120.9 . . ?
C41 C40 C39 118.2(11) . . ?
C41 C40 H40 120.9 . . ?
O5 C31 C32 118.4(12) . . ?
O5 C31 C36 124.4(12) . . ?
C36 C31 C32 117.2(13) . . ?
N12 C50 C53 116.2(11) . . ?
N12 C50 C51 122.9(12) . . ?
C51 C50 C53 120.7(11) . . ?
O17 C70 Dy5 60.0(7) . . ?
O17 C70 O18 119.6(13) . . ?
O17 C70 C69 123.4(15) . . ?
O18 C70 Dy5 60.3(7) . . ?
O18 C70 C69 116.7(14) . . ?
C69 C70 Dy5 167.1(11) . . ?
N5 C17 C14 122.4(12) . . ?
N5 C17 C18 117.9(12) . . ?
C14 C17 C18 119.7(11) . . ?
C10 C11 C12 118.9(11) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
C21 C20 H20 121.0 . . ?
C19 C20 C21 118.0(12) . . ?
C19 C20 H20 121.0 . . ?
N4 C15 H15 119.4 . . ?
N4 C15 C16 121.2(13) . . ?
C16 C15 H15 119.4 . . ?
C60 C59 H59 119.4 . . ?
C58 C59 H59 119.4 . . ?
C58 C59 C60 121.2(13) . . ?
C48 C52 H52 119.8 . . ?
C51 C52 C48 120.4(11) . . ?
C51 C52 H52 119.8 . . ?
N5 C16 C15 124.2(12) . . ?
N5 C16 H16 117.9 . . ?
C15 C16 H16 117.9 . . ?
O8 C60 C59 120.5(12) . . ?
O8 C60 C55 122.1(12) . . ?
C59 C60 C55 117.4(12) . . ?
C54 C55 C60 124.7(13) . . ?
C56 C55 C60 119.1(13) . . ?
C56 C55 C54 116.2(13) . . ?
C50 C51 H51 121.0 . . ?
C52 C51 C50 118.0(12) . . ?
C52 C51 H51 121.0 . . ?
N10 C45 H45 118.9 . . ?
N10 C45 C46 122.2(13) . . ?
C46 C45 H45 118.9 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(13) . . ?
C4 C3 H3 120.2 . . ?
C1 C2 H2 118.4 . . ?
C3 C2 C1 123.2(14) . . ?
C3 C2 H2 118.4 . . ?
N7 C37 H37 118.1 . . ?
N7 C37 C36 123.7(14) . . ?
C36 C37 H37 118.1 . . ?
O22 C71 H71A 109.5 . . ?
O22 C71 H71B 109.5 . . ?
O22 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O4 C30 C25 114.2(14) . . ?
C29 C30 O4 122.9(16) . . ?
C29 C30 C25 122.7(15) . . ?
N14 C54 C55 124.7(14) . . ?
N14 C54 H54 117.7 . . ?
C55 C54 H54 117.7 . . ?
N16 C24 H24 117.6 . . ?
N16 C24 C25 124.7(14) . . ?
C25 C24 H24 117.6 . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
N11 C46 C45 122.6(13) . . ?
N11 C46 H46 118.7 . . ?
C45 C46 H46 118.7 . . ?
C6 C5 H5 118.5 . . ?
C4 C5 C6 122.9(15) . . ?
C4 C5 H5 118.5 . . ?
C55 C56 H56 118.3 . . ?
C57 C56 C55 123.3(14) . . ?
C57 C56 H56 118.3 . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.6(15) . . ?
C33 C32 H32 120.2 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C24 C25 C30 128.0(13) . . ?
C26 C25 C30 116.5(17) . . ?
C26 C25 C24 115.3(17) . . ?
C31 C36 C37 121.9(13) . . ?
C35 C36 C31 120.5(14) . . ?
C35 C36 C37 117.5(14) . . ?
C56 C57 H57 121.2 . . ?
C56 C57 C58 117.6(14) . . ?
C58 C57 H57 121.2 . . ?
C3 C4 H4 121.0 . . ?
C5 C4 C3 118.1(14) . . ?
C5 C4 H4 121.0 . . ?
C59 C58 C57 121.1(14) . . ?
C59 C58 H58 119.4 . . ?
C57 C58 H58 119.4 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O23 C72 H72A 109.5 . . ?
O23 C72 H72B 109.5 . . ?
O23 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
O24 C73 H73A 109.5 . . ?
O24 C73 H73B 109.5 . . ?
O24 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C35 C34 C33 120.3(16) . . ?
C30 C29 H29 120.7 . . ?
C30 C29 C28 119(2) . . ?
C28 C29 H29 120.7 . . ?
C32 C33 C34 121.2(17) . . ?
C32 C33 H33 119.4 . . ?
C34 C33 H33 119.4 . . ?
C36 C35 H35 119.4 . . ?
C34 C35 C36 121.1(16) . . ?
C34 C35 H35 119.4 . . ?
C29 C28 H28 118.3 . . ?
C29 C28 C27 123(2) . . ?
C27 C28 H28 118.3 . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121(2) . . ?
C27 C26 H26 119.4 . . ?
C28 C27 H27 121.3 . . ?
C26 C27 C28 117(2) . . ?
C26 C27 H27 121.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy3 3.7882(8) . ?
Dy1 O19 2.425(7) . ?
Dy1 O16 2.633(9) . ?
Dy1 O6 2.427(8) . ?
Dy1 O21 2.252(8) . ?
Dy1 O15 2.638(8) . ?
Dy1 O7 2.423(8) . ?
Dy1 O22 2.397(10) . ?
Dy1 N12 2.595(10) . ?
Dy1 N9 2.613(10) . ?
Dy2 Dy3 3.7463(8) . ?
Dy2 Dy4 3.9355(8) . ?
Dy2 O19 2.394(8) . ?
Dy2 O20 2.398(8) . ?
Dy2 O3 2.328(8) . ?
Dy2 O2 2.331(8) . ?
Dy2 O14 2.451(8) . ?
Dy2 O10 2.222(8) . ?
Dy2 N6 2.539(9) . ?
Dy2 N3 2.563(10) . ?
Dy3 O19 2.388(8) . ?
Dy3 O21 2.237(8) . ?
Dy3 O2 2.335(8) . ?
Dy3 O1 2.226(8) . ?
Dy3 O12 2.317(8) . ?
Dy3 O13 2.334(9) . ?
Dy3 N1 2.528(10) . ?
Dy4 O16 2.398(8) . ?
Dy4 O3 2.381(8) . ?
Dy4 O14 2.498(8) . ?
Dy4 O7 2.415(8) . ?
Dy4 O4 2.184(9) . ?
Dy4 O8 2.252(8) . ?
Dy4 N14 2.508(10) . ?
Dy4 N16 2.539(11) . ?
Dy5 O6 2.417(8) . ?
Dy5 O15 2.382(8) . ?
Dy5 O9 2.364(8) . ?
Dy5 O11 2.351(9) . ?
Dy5 O5 2.198(9) . ?
Dy5 O17 2.429(9) . ?
Dy5 O18 2.436(10) . ?
Dy5 N7 2.499(10) . ?
Dy5 C70 2.800(14) . ?
O16 C66 1.268(14) . ?
O6 C38 1.309(15) . ?
O15 C66 1.266(14) . ?
O20 H20A 0.8880 . ?
O20 H20B 0.8879 . ?
O9 C62 1.232(15) . ?
O3 C23 1.307(14) . ?
O2 C8 1.303(15) . ?
O14 C68 1.291(15) . ?
O7 C53 1.306(14) . ?
O1 C1 1.329(16) . ?
O12 C64 1.267(14) . ?
O13 C68 1.238(15) . ?
O10 C62 1.285(15) . ?
O11 C64 1.268(15) . ?
O4 C30 1.378(16) . ?
O5 C31 1.310(16) . ?
O8 C60 1.295(16) . ?
O17 C70 1.257(17) . ?
N2 N1 1.442(13) . ?
N2 C8 1.277(15) . ?
O22 H22 0.877(10) . ?
O22 C71 1.482(19) . ?
N6 C21 1.358(15) . ?
N6 C22 1.353(16) . ?
N1 C7 1.307(15) . ?
N12 C49 1.335(16) . ?
N12 C50 1.319(16) . ?
N9 C43 1.355(15) . ?
N9 C39 1.326(16) . ?
N3 C9 1.332(15) . ?
N3 C13 1.355(15) . ?
N14 N13 1.393(14) . ?
N14 C54 1.301(18) . ?
O18 C70 1.267(17) . ?
N13 C53 1.288(16) . ?
N8 N7 1.410(14) . ?
N8 C38 1.294(16) . ?
N5 C17 1.346(15) . ?
N5 C16 1.306(17) . ?
N10 C44 1.338(16) . ?
N10 C45 1.323(17) . ?
C8 C9 1.499(15) . ?
O24 H24A 0.8400 . ?
O24 C73 1.43(2) . ?
N7 C37 1.300(18) . ?
C9 C10 1.387(17) . ?
C66 C65 1.469(16) . ?
N4 C14 1.363(16) . ?
N4 C15 1.336(16) . ?
N15 N16 1.429(15) . ?
N15 C23 1.292(17) . ?
N16 C24 1.300(19) . ?
C21 C23 1.516(17) . ?
C21 C20 1.359(16) . ?
N11 C47 1.355(15) . ?
N11 C46 1.319(18) . ?
C64 C63 1.489(19) . ?
C68 C67 1.479(19) . ?
C7 H7 0.9500 . ?
C7 C6 1.435(17) . ?
C42 C43 1.385(16) . ?
C42 C44 1.472(16) . ?
C42 C41 1.415(18) . ?
C38 C39 1.487(16) . ?
C43 C49 1.459(17) . ?
C44 C47 1.404(17) . ?
C13 C22 1.446(17) . ?
C13 C12 1.393(17) . ?
C49 C48 1.384(17) . ?
C39 C40 1.416(17) . ?
C22 C18 1.409(17) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(17) . ?
O23 H23 0.8400 . ?
O23 C72 1.39(2) . ?
C12 C14 1.462(15) . ?
C12 C11 1.398(17) . ?
C47 C48 1.436(17) . ?
C1 C6 1.41(2) . ?
C1 C2 1.394(18) . ?
C41 H41 0.9500 . ?
C41 C40 1.365(16) . ?
C62 C61 1.526(19) . ?
C19 H19 0.9500 . ?
C19 C18 1.423(18) . ?
C19 C20 1.359(19) . ?
C14 C17 1.391(18) . ?
C6 C5 1.416(19) . ?
C48 C52 1.430(18) . ?
C53 C50 1.486(17) . ?
C18 C17 1.463(19) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C40 H40 0.9500 . ?
C31 C32 1.437(19) . ?
C31 C36 1.402(19) . ?
C50 C51 1.412(16) . ?
C70 C69 1.43(2) . ?
C11 H11 0.9500 . ?
C20 H20 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.392(19) . ?
C59 H59 0.9500 . ?
C59 C60 1.407(19) . ?
C59 C58 1.402(19) . ?
C52 H52 0.9500 . ?
C52 C51 1.359(18) . ?
C16 H16 0.9500 . ?
C60 C55 1.433(17) . ?
C55 C54 1.432(19) . ?
C55 C56 1.410(18) . ?
C51 H51 0.9500 . ?
C45 H45 0.9500 . ?
C45 C46 1.41(2) . ?
C3 H3 0.9500 . ?
C3 C2 1.35(2) . ?
C3 C4 1.43(2) . ?
C2 H2 0.9500 . ?
C37 H37 0.9500 . ?
C37 C36 1.478(18) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C30 C25 1.45(2) . ?
C30 C29 1.32(2) . ?
C54 H54 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.45(2) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C46 H46 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.355(19) . ?
C56 H56 0.9500 . ?
C56 C57 1.37(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.36(2) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C25 C26 1.40(2) . ?
C36 C35 1.37(2) . ?
C57 H57 0.9500 . ?
C57 C58 1.41(2) . ?
C4 H4 0.9500 . ?
C58 H58 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C34 H34 0.9500 . ?
C34 C33 1.37(3) . ?
C34 C35 1.35(2) . ?
C29 H29 0.9500 . ?
C29 C28 1.36(3) . ?
C33 H33 0.9500 . ?
C35 H35 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.41(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.39(3) . ?
C27 H27 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O16 C66 O15 -6.9(11) . . . . ?
Dy1 O16 C66 C65 173.2(11) . . . . ?
Dy1 O6 C38 N8 -174.7(11) . . . . ?
Dy1 O6 C38 C39 5.1(17) . . . . ?
Dy1 O15 C66 O16 6.8(11) . . . . ?
Dy1 O15 C66 C65 -173.2(10) . . . . ?
Dy1 O7 C53 N13 166.9(10) . . . . ?
Dy1 O7 C53 C50 -10.7(15) . . . . ?
Dy1 N12 C49 C43 -8.1(15) . . . . ?
Dy1 N12 C49 C48 169.9(10) . . . . ?
Dy1 N12 C50 C53 10.9(15) . . . . ?
Dy1 N12 C50 C51 -173.2(10) . . . . ?
Dy1 N9 C43 C42 -175.3(9) . . . . ?
Dy1 N9 C43 C49 1.8(15) . . . . ?
Dy1 N9 C39 C38 -2.9(14) . . . . ?
Dy1 N9 C39 C40 176.0(9) . . . . ?
Dy2 O3 C23 N15 160.2(10) . . . . ?
Dy2 O3 C23 C21 -20.2(15) . . . . ?
Dy2 O2 C8 N2 176.9(9) . . . . ?
Dy2 O2 C8 C9 -1.3(15) . . . . ?
Dy2 O14 C68 O13 -36.6(14) . . . . ?
Dy2 O14 C68 C67 140.8(10) . . . . ?
Dy2 N6 C21 C23 2.4(12) . . . . ?
Dy2 N6 C21 C20 -174.6(10) . . . . ?
Dy2 N6 C22 C13 -6.1(15) . . . . ?
Dy2 N6 C22 C18 174.2(9) . . . . ?
Dy2 N3 C9 C8 -3.4(14) . . . . ?
Dy2 N3 C9 C10 176.1(10) . . . . ?
Dy2 N3 C13 C22 4.0(14) . . . . ?
Dy2 N3 C13 C12 -173.9(8) . . . . ?
Dy3 O2 C8 N2 -13.9(16) . . . . ?
Dy3 O2 C8 C9 167.9(8) . . . . ?
Dy3 O1 C1 C6 27(2) . . . . ?
Dy3 O1 C1 C2 -154.2(10) . . . . ?
Dy3 O12 C64 O11 -14(2) . . . . ?
Dy3 O12 C64 C63 165.4(10) . . . . ?
Dy3 O13 C68 O14 -19(2) . . . . ?
Dy3 O13 C68 C67 163.4(10) . . . . ?
Dy3 N1 C7 C6 -11.7(19) . . . . ?
Dy4 O16 C66 O15 165.4(11) . . . . ?
Dy4 O16 C66 C65 -15(2) . . . . ?
Dy4 O3 C23 N15 -10.6(17) . . . . ?
Dy4 O3 C23 C21 169.0(7) . . . . ?
Dy4 O14 C68 O13 135.2(10) . . . . ?
Dy4 O14 C68 C67 -47.4(17) . . . . ?
Dy4 O7 C53 N13 -8.4(17) . . . . ?
Dy4 O7 C53 C50 173.9(8) . . . . ?
Dy4 O4 C30 C25 -7(2) . . . . ?
Dy4 O4 C30 C29 177.6(13) . . . . ?
Dy4 O8 C60 C59 -156.3(11) . . . . ?
Dy4 O8 C60 C55 21(2) . . . . ?
Dy4 N14 N13 C53 6.0(13) . . . . ?
Dy4 N14 C54 C55 -5(2) . . . . ?
Dy4 N16 C24 C25 1(2) . . . . ?
Dy5 O6 C38 N8 14.1(19) . . . . ?
Dy5 O6 C38 C39 -166.1(9) . . . . ?
Dy5 O15 C66 O16 -142.4(10) . . . . ?
Dy5 O15 C66 C65 38(2) . . . . ?
Dy5 O9 C62 O10 1(2) . . . . ?
Dy5 O9 C62 C61 -175.5(12) . . . . ?
Dy5 O11 C64 O12 -117.8(13) . . . . ?
Dy5 O11 C64 C63 62.6(18) . . . . ?
Dy5 O5 C31 C32 177.2(12) . . . . ?
Dy5 O5 C31 C36 -5(3) . . . . ?
Dy5 O17 C70 O18 -9.0(14) . . . . ?
Dy5 O17 C70 C69 165.4(13) . . . . ?
Dy5 O18 C70 O17 9.0(14) . . . . ?
Dy5 O18 C70 C69 -165.8(12) . . . . ?
Dy5 N7 C37 C36 9(2) . . . . ?
O6 C38 C39 N9 -1.0(17) . . . . ?
O6 C38 C39 C40 -179.9(12) . . . . ?
O2 C8 C9 N3 3.0(15) . . . . ?
O2 C8 C9 C10 -176.5(12) . . . . ?
O7 C53 C50 N12 -1.1(17) . . . . ?
O7 C53 C50 C51 -177.1(12) . . . . ?
O1 C1 C6 C7 1(2) . . . . ?
O1 C1 C6 C5 179.7(12) . . . . ?
O1 C1 C2 C3 -179.0(12) . . . . ?
O4 C30 C25 C24 8(2) . . . . ?
O4 C30 C25 C26 -178.4(17) . . . . ?
O4 C30 C29 C28 175.8(16) . . . . ?
O5 C31 C32 C33 179.2(19) . . . . ?
O5 C31 C36 C37 4(3) . . . . ?
O5 C31 C36 C35 178.5(18) . . . . ?
O8 C60 C55 C54 -1(2) . . . . ?
O8 C60 C55 C56 178.6(14) . . . . ?
N2 N1 C7 C6 -178.2(12) . . . . ?
N2 C8 C9 N3 -175.2(11) . . . . ?
N2 C8 C9 C10 5(2) . . . . ?
N6 C21 C23 O3 10.1(15) . . . . ?
N6 C21 C23 N15 -170.2(11) . . . . ?
N6 C21 C20 C19 1(2) . . . . ?
N6 C22 C18 C19 -0.4(18) . . . . ?
N6 C22 C18 C17 179.2(11) . . . . ?
N1 N2 C8 O2 2.6(16) . . . . ?
N1 N2 C8 C9 -179.4(10) . . . . ?
N1 C7 C6 C1 -5(2) . . . . ?
N1 C7 C6 C5 176.1(13) . . . . ?
N12 C49 C48 C47 176.4(12) . . . . ?
N12 C49 C48 C52 3.1(19) . . . . ?
N12 C50 C51 C52 2(2) . . . . ?
N9 C43 C49 N12 3.9(17) . . . . ?
N9 C43 C49 C48 -174.2(11) . . . . ?
N9 C39 C40 C41 -0.3(19) . . . . ?
N3 C9 C10 C11 0(2) . . . . ?
N3 C13 C22 N6 1.3(16) . . . . ?
N3 C13 C22 C18 -179.0(11) . . . . ?
N3 C13 C12 C14 179.1(11) . . . . ?
N3 C13 C12 C11 -4.2(18) . . . . ?
N14 N13 C53 O7 1.5(19) . . . . ?
N14 N13 C53 C50 179.1(10) . . . . ?
N13 N14 C54 C55 177.2(13) . . . . ?
N13 C53 C50 N12 -179.0(12) . . . . ?
N13 C53 C50 C51 5.0(19) . . . . ?
N8 N7 C37 C36 -176.8(13) . . . . ?
N8 C38 C39 N9 178.9(12) . . . . ?
N8 C38 C39 C40 0.0(19) . . . . ?
N10 C44 C47 N11 4(2) . . . . ?
N10 C44 C47 C48 179.7(13) . . . . ?
N10 C45 C46 N11 2(2) . . . . ?
C8 N2 N1 Dy3 8.4(12) . . . . ?
C8 N2 N1 C7 176.6(11) . . . . ?
C8 C9 C10 C11 179.4(12) . . . . ?
N7 N8 C38 O6 -1(2) . . . . ?
N7 N8 C38 C39 179.5(11) . . . . ?
N7 C37 C36 C31 -6(3) . . . . ?
N7 C37 C36 C35 178.9(18) . . . . ?
C9 N3 C13 C22 -177.5(11) . . . . ?
C9 N3 C13 C12 4.6(17) . . . . ?
C9 C10 C11 C12 0(2) . . . . ?
N4 C14 C17 N5 -0.2(19) . . . . ?
N4 C14 C17 C18 179.0(11) . . . . ?
N4 C15 C16 N5 1(2) . . . . ?
N15 N16 C24 C25 179.1(15) . . . . ?
N16 N15 C23 O3 -4.4(19) . . . . ?
N16 N15 C23 C21 176.0(10) . . . . ?
N16 C24 C25 C30 -6(3) . . . . ?
N16 C24 C25 C26 -179(2) . . . . ?
C21 N6 C22 C13 -179.4(10) . . . . ?
C21 N6 C22 C18 0.9(17) . . . . ?
N11 C47 C48 C49 -179.3(13) . . . . ?
N11 C47 C48 C52 -6(2) . . . . ?
C7 C6 C5 C4 179.1(14) . . . . ?
C42 C43 C49 N12 -179.0(12) . . . . ?
C42 C43 C49 C48 3.0(18) . . . . ?
C42 C44 C47 N11 -176.9(12) . . . . ?
C42 C44 C47 C48 -1.0(19) . . . . ?
C42 C41 C40 C39 -2.2(19) . . . . ?
C38 N8 N7 Dy5 -12.8(14) . . . . ?
C38 N8 N7 C37 171.9(13) . . . . ?
C38 C39 C40 C41 178.5(12) . . . . ?
C43 N9 C39 C38 -176.7(11) . . . . ?
C43 N9 C39 C40 2.2(18) . . . . ?
C43 C42 C44 N10 177.7(12) . . . . ?
C43 C42 C44 C47 -1.7(19) . . . . ?
C43 C42 C41 C40 2.8(19) . . . . ?
C43 C49 C48 C47 -5.7(19) . . . . ?
C43 C49 C48 C52 -179.0(11) . . . . ?
C44 N10 C45 C46 -1(2) . . . . ?
C44 C42 C43 N9 177.6(12) . . . . ?
C44 C42 C43 C49 0.7(19) . . . . ?
C44 C42 C41 C40 -175.7(12) . . . . ?
C44 C47 C48 C49 5(2) . . . . ?
C44 C47 C48 C52 177.5(13) . . . . ?
C13 N3 C9 C8 178.1(10) . . . . ?
C13 N3 C9 C10 -2.4(19) . . . . ?
C13 C22 C18 C19 179.9(11) . . . . ?
C13 C22 C18 C17 -0.5(18) . . . . ?
C13 C12 C14 N4 179.5(11) . . . . ?
C13 C12 C14 C17 0.1(18) . . . . ?
C13 C12 C11 C10 1.7(19) . . . . ?
C49 N12 C50 C53 -177.8(11) . . . . ?
C49 N12 C50 C51 -1.9(19) . . . . ?
C49 C48 C52 C51 -2.7(19) . . . . ?
C39 N9 C43 C42 -1.6(18) . . . . ?
C39 N9 C43 C49 175.4(11) . . . . ?
C22 N6 C21 C23 175.8(10) . . . . ?
C22 N6 C21 C20 -1.3(18) . . . . ?
C22 C13 C12 C14 1.3(17) . . . . ?
C22 C13 C12 C11 177.9(11) . . . . ?
C22 C18 C17 N5 -178.9(11) . . . . ?
C22 C18 C17 C14 1.8(18) . . . . ?
C12 C13 C22 N6 179.2(11) . . . . ?
C12 C13 C22 C18 -1.1(18) . . . . ?
C12 C14 C17 N5 179.1(11) . . . . ?
C12 C14 C17 C18 -1.6(18) . . . . ?
C47 N11 C46 C45 1(2) . . . . ?
C47 C48 C52 C51 -175.9(13) . . . . ?
C23 N15 N16 Dy4 15.9(14) . . . . ?
C23 N15 N16 C24 -162.9(13) . . . . ?
C23 C21 C20 C19 -175.4(12) . . . . ?
C1 C6 C5 C4 0(2) . . . . ?
C41 C42 C43 N9 -0.8(19) . . . . ?
C41 C42 C43 C49 -177.8(12) . . . . ?
C41 C42 C44 N10 -3.9(19) . . . . ?
C41 C42 C44 C47 176.7(12) . . . . ?
C19 C18 C17 N5 0.7(18) . . . . ?
C19 C18 C17 C14 -178.6(12) . . . . ?
C14 N4 C15 C16 -2.9(19) . . . . ?
C14 C12 C11 C10 178.2(12) . . . . ?
C6 C1 C2 C3 0(2) . . . . ?
C6 C5 C4 C3 -2(2) . . . . ?
C48 C52 C51 C50 0(2) . . . . ?
C53 C50 C51 C52 177.9(12) . . . . ?
C18 C19 C20 C21 -1(2) . . . . ?
C31 C32 C33 C34 2(4) . . . . ?
C31 C36 C35 C34 3(4) . . . . ?
C50 N12 C49 C43 -178.8(11) . . . . ?
C50 N12 C49 C48 -0.9(19) . . . . ?
C17 N5 C16 C15 0.8(18) . . . . ?
C11 C12 C14 N4 3.0(18) . . . . ?
C11 C12 C14 C17 -176.4(12) . . . . ?
C20 C21 C23 O3 -172.8(12) . . . . ?
C20 C21 C23 N15 6.8(19) . . . . ?
C20 C19 C18 C22 0(2) . . . . ?
C20 C19 C18 C17 -179.4(13) . . . . ?
C15 N4 C14 C12 -177.0(11) . . . . ?
C15 N4 C14 C17 2.3(18) . . . . ?
C59 C60 C55 C54 176.7(14) . . . . ?
C59 C60 C55 C56 -4(2) . . . . ?
C16 N5 C17 C14 -1.3(17) . . . . ?
C16 N5 C17 C18 179.4(11) . . . . ?
C60 C59 C58 C57 -4(2) . . . . ?
C60 C55 C54 N14 -5(2) . . . . ?
C60 C55 C56 C57 2(2) . . . . ?
C55 C56 C57 C58 0(3) . . . . ?
C45 N10 C44 C42 179.1(12) . . . . ?
C45 N10 C44 C47 -2(2) . . . . ?
C2 C1 C6 C7 -178.4(13) . . . . ?
C2 C1 C6 C5 0.5(19) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
C37 C36 C35 C34 178(2) . . . . ?
C30 C25 C26 C27 4(4) . . . . ?
C30 C29 C28 C27 0(4) . . . . ?
C54 N14 N13 C53 -175.5(12) . . . . ?
C54 C55 C56 C57 -179.3(16) . . . . ?
C24 C25 C26 C27 179(3) . . . . ?
C46 N11 C47 C44 -3(2) . . . . ?
C46 N11 C47 C48 -179.0(13) . . . . ?
C56 C55 C54 N14 175.7(15) . . . . ?
C56 C57 C58 C59 1(3) . . . . ?
C32 C31 C36 C37 -178.6(15) . . . . ?
C32 C31 C36 C35 -4(3) . . . . ?
C25 C30 C29 C28 1(3) . . . . ?
C25 C26 C27 C28 -3(5) . . . . ?
C36 C31 C32 C33 1(3) . . . . ?
C4 C3 C2 C1 -2(2) . . . . ?
C58 C59 C60 O8 -177.3(14) . . . . ?
C58 C59 C60 C55 5(2) . . . . ?
C29 C30 C25 C24 -177.1(16) . . . . ?
C29 C30 C25 C26 -3(3) . . . . ?
C29 C28 C27 C26 1(5) . . . . ?
C33 C34 C35 C36 1(4) . . . . ?
C35 C34 C33 C32 -4(4) . . . . ?
