#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:48:33 +0300 (Tue, 06 Oct 2020) $
#$Revision: 258135 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/99/7239914.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_7239914
loop_
_publ_author_name
'Li, Rong-fang'
'Li, Rui-hao'
'Liu, Xin-fang'
'Chang, Xin-hong'
'Feng, Xun'
_publ_section_title
;
 Lanthanide complexes based on a conjugated pyridine carboxylate ligand:
 structures, luminescence and magnetic properties
;
_journal_issue                   11
_journal_name_full               'RSC Advances'
_journal_page_first              6192
_journal_page_last               6199
_journal_paper_doi               10.1039/C9RA10975G
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         '4(C36 H24 Dy2 N6 O15), 0.5(H4 O2)'
_chemical_formula_sum            'C144 H98 Dy8 N24 O61'
_chemical_formula_weight         4440.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-12-24
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2020-01-17 deposited with the CCDC.	2020-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.892(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.329(4)
_cell_length_b                   18.257(4)
_cell_length_c                   23.014(4)
_cell_measurement_reflns_used    9948
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.499
_cell_measurement_theta_min      2.415
_cell_volume                     7729(3)
_computing_cell_refinement       'SAINT v7.60A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.60A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_unetI/netI     0.0756
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            48479
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.600
_diffrn_reflns_theta_min         1.107
_exptl_absorpt_coefficient_mu    3.917
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.573
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.908
_exptl_crystal_description       flake
_exptl_crystal_F_000             4292
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.415
_refine_diff_density_min         -2.785
_refine_diff_density_rms         0.234
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1084
_refine_ls_number_reflns         19178
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.077
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0895P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_ref         0.1502
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14705
_reflns_number_total             19178
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ra10975g2.cif
_cod_data_source_block           222_sq
_cod_depositor_comments
'Adding full bibliography for 7239914--7239916.cif.'
_cod_original_cell_volume        7728(3)
_cod_database_code               7239914
_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   0.610
_shelx_estimated_absorpt_t_min   0.493
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H21A-O21
 0.82 with sigma of 0.02
 O21-H21B
 0.82 with sigma of 0.02
 H21A-H21B
 1.4 with sigma of 0.02
3. Others
 Fixed Sof: H1A(0.5) H1B(0.5)
4.a Free rotating group:
 O1(H1A,H1B)
4.b Rotating group:
 O22(H22A,H22B), O15(H15A,H15B), O23(H23A,H23B), O16(H16A,H16B), O14(H14A,H14B)
4.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C8(H8), C20(H20), C52(H52), C68(H68), C10(H10), C51(H51), C53(H53),
 C39(H39), C56(H56), C32(H32), C58(H58), C40(H40), C65(H65), C5(H5), C15(H15),
 C69(H69), C27(H27), C28(H28), C64(H64), C17(H17), C46(H46), C33(H33), C29(H29),
  C57(H57), C63(H63), C21(H21), C34(H34), C16(H16), C41(H41), C22(H22),
 C70(H70), C3(H3), C4(H4), C44(H44), C45(H45)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
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
Dy2 Dy 0.44635(2) 0.31233(2) 0.52153(2) 0.02448(8) Uani 1 1 d . . .
Dy3 Dy 0.03987(2) 0.20002(2) 0.46705(2) 0.02527(8) Uani 1 1 d . . .
Dy4 Dy -0.21611(2) 0.42850(2) 0.36462(2) 0.02596(8) Uani 1 1 d . . .
Dy1 Dy 0.70226(2) 0.09127(2) 0.63029(2) 0.02910(8) Uani 1 1 d . . .
O28 O -0.1276(2) 0.5167(2) 0.37026(19) 0.0402(10) Uani 1 1 d . . .
O17 O 0.1206(2) 0.2804(2) 0.44824(19) 0.0379(10) Uani 1 1 d . . .
O30 O -0.2994(2) 0.3365(3) 0.3328(2) 0.0425(11) Uani 1 1 d . . .
O12 O 0.5324(2) 0.3992(2) 0.51733(19) 0.0354(10) Uani 1 1 d . . .
O21 O 0.0466(3) 0.1454(3) 0.3760(2) 0.0508(13) Uani 1 1 d D . .
O22 O 0.1356(2) 0.1136(2) 0.4917(2) 0.0361(10) Uani 1 1 d . . .
H22A H 0.150242 0.105469 0.460443 0.054 Uiso 1 1 d GR . .
H22B H 0.119682 0.071440 0.499125 0.054 Uiso 1 1 d GR . .
O26 O -0.3083(2) 0.5109(2) 0.35844(19) 0.0380(10) Uani 1 1 d . . .
O5 O 0.5335(2) 0.2632(2) 0.60967(19) 0.0413(10) Uani 1 1 d . . .
O15 O 0.3500(2) 0.3988(2) 0.4846(2) 0.0409(11) Uani 1 1 d . . .
H15A H 0.365157 0.443862 0.495269 0.061 Uiso 1 1 d GR . .
H15B H 0.316026 0.392290 0.502374 0.061 Uiso 1 1 d GR . .
O6 O 0.7879(3) 0.1813(3) 0.6641(2) 0.0532(13) Uani 1 1 d . . .
O23 O -0.0217(2) 0.2942(2) 0.50397(19) 0.0319(9) Uani 1 1 d . . .
H23A H -0.044629 0.323071 0.474361 0.048 Uiso 1 1 d GR . .
H23B H 0.009661 0.322790 0.528721 0.048 Uiso 1 1 d GR . .
O4 O 0.6078(2) 0.1768(2) 0.59421(19) 0.0372(10) Uani 1 1 d . . .
O8 O 0.6200(2) -0.0023(3) 0.6262(2) 0.0430(11) Uani 1 1 d . . .
O25 O -0.0454(2) 0.2578(3) 0.38004(19) 0.0410(11) Uani 1 1 d . . .
O24 O -0.1207(2) 0.3411(2) 0.39854(18) 0.0340(9) Uani 1 1 d . . .
O3 O 0.7952(2) 0.0103(2) 0.6369(2) 0.0428(11) Uani 1 1 d . . .
O2 O 0.8900(3) -0.0541(3) 0.6902(2) 0.0574(14) Uani 1 1 d . . .
O11 O 0.2765(2) 0.1593(2) 0.5363(2) 0.0414(10) Uani 1 1 d . . .
O10 O 0.3701(2) 0.2359(2) 0.55290(18) 0.0363(10) Uani 1 1 d . . .
O16 O 0.5072(2) 0.2147(2) 0.48859(19) 0.0349(9) Uani 1 1 d . . .
H16A H 0.475868 0.181988 0.467807 0.052 Uiso 1 1 d GR . .
H16B H 0.533889 0.189629 0.520117 0.052 Uiso 1 1 d GR . .
O18 O 0.2173(2) 0.3530(3) 0.4765(2) 0.0505(13) Uani 1 1 d . . .
N12 N -0.2579(3) 0.3767(3) 0.4469(2) 0.0315(11) Uani 1 1 d . . .
O14 O 0.4497(2) 0.3949(2) 0.60217(19) 0.0434(11) Uani 1 1 d . . .
H14A H 0.474303 0.435231 0.599394 0.065 Uiso 1 1 d GR . .
H14B H 0.475493 0.376541 0.638029 0.065 Uiso 1 1 d GR . .
N8 N 0.0322(3) 0.1511(3) 0.5656(2) 0.0313(11) Uani 1 1 d . . .
O20 O -0.1035(3) 0.0257(3) 0.4940(2) 0.0572(14) Uani 1 1 d . . .
C9 C 0.6101(4) 0.2182(4) 0.7979(3) 0.0462(17) Uani 1 1 d . . .
H9 H 0.594108 0.242104 0.827074 0.055 Uiso 1 1 calc R . .
O29 O -0.0469(3) 0.5985(2) 0.4197(2) 0.0429(11) Uani 1 1 d . . .
O27 O -0.3945(3) 0.5895(3) 0.3071(2) 0.0532(13) Uani 1 1 d . . .
O19 O -0.0461(2) 0.1107(2) 0.45658(19) 0.0396(10) Uani 1 1 d . . .
N10 N -0.2748(3) 0.4763(3) 0.2599(2) 0.0295(10) Uani 1 1 d . . .
C8 C 0.6616(4) 0.1625(4) 0.8147(3) 0.0455(17) Uani 1 1 d . . .
H8 H 0.680564 0.148752 0.855408 0.055 Uiso 1 1 calc R . .
O9 O 0.5521(3) -0.0964(3) 0.5809(2) 0.0538(13) Uani 1 1 d . . .
N4 N 0.6506(3) 0.0350(3) 0.5274(2) 0.0351(11) Uani 1 1 d . . .
N2 N 0.6572(3) 0.1465(3) 0.7108(2) 0.0316(11) Uani 1 1 d . . .
N6 N 0.4460(3) 0.3444(3) 0.4165(2) 0.0308(11) Uani 1 1 d . . .
N1 N 0.7618(3) 0.0499(3) 0.7358(2) 0.0356(11) Uani 1 1 d . . .
C12 C 0.5796(3) 0.2145(3) 0.6279(3) 0.0321(12) Uani 1 1 d . . .
C50 C -0.1197(3) 0.3253(3) 0.2970(3) 0.0290(12) Uani 1 1 d . . .
N9 N -0.1716(3) 0.3766(3) 0.2820(2) 0.0306(10) Uani 1 1 d . . .
O31 O -0.3830(3) 0.2604(3) 0.3464(3) 0.0742(18) Uani 1 1 d . . .
O13 O 0.5844(2) 0.4750(2) 0.4672(2) 0.0464(12) Uani 1 1 d . . .
N5 N 0.3532(2) 0.2499(3) 0.4365(2) 0.0287(10) Uani 1 1 d . . .
N11 N -0.1575(3) 0.4765(3) 0.4694(2) 0.0289(10) Uani 1 1 d . . .
C31 C 0.4007(3) 0.3129(3) 0.3665(3) 0.0324(13) Uani 1 1 d . . .
C20 C 0.6343(4) 0.0291(5) 0.4201(3) 0.055(2) Uani 1 1 d . . .
H20 H 0.645447 0.047015 0.386210 0.065 Uiso 1 1 calc R . .
C7 C 0.6842(3) 0.1279(3) 0.7704(3) 0.0349(13) Uani 1 1 d . . .
C52 C -0.1200(5) 0.3149(4) 0.1944(3) 0.056(2) Uani 1 1 d . . .
H52 H -0.102202 0.294494 0.164776 0.067 Uiso 1 1 calc R . .
C54 C -0.1990(3) 0.3980(3) 0.2235(3) 0.0322(13) Uani 1 1 d . . .
C43 C 0.0726(4) 0.1778(3) 0.6201(3) 0.0368(14) Uani 1 1 d . . .
N7 N 0.1286(2) 0.2498(3) 0.5610(2) 0.0293(10) Uani 1 1 d . . .
C38 C 0.1776(3) 0.2969(3) 0.5529(3) 0.0319(13) Uani 1 1 d . . .
O7 O 0.8755(3) 0.2519(4) 0.6504(3) 0.097(2) Uani 1 1 d . . .
C67 C -0.2335(3) 0.3980(3) 0.5056(3) 0.0317(13) Uani 1 1 d . . .
C55 C -0.2583(3) 0.4520(3) 0.2113(3) 0.0325(13) Uani 1 1 d . . .
C26 C 0.3076(3) 0.2040(3) 0.4507(3) 0.0311(12) Uani 1 1 d . . .
C49 C -0.0924(3) 0.3066(3) 0.3633(3) 0.0317(13) Uani 1 1 d . . .
C68 C -0.2619(4) 0.3694(4) 0.5490(3) 0.0435(16) Uani 1 1 d . . .
H68 H -0.243177 0.383360 0.589699 0.052 Uiso 1 1 calc R . .
C6 C 0.7424(4) 0.0715(3) 0.7835(3) 0.0373(14) Uani 1 1 d . . .
C25 C 0.3179(3) 0.1977(3) 0.5187(3) 0.0294(12) Uani 1 1 d . . .
C23 C 0.6022(3) -0.0196(3) 0.5202(3) 0.0378(14) Uani 1 1 d . . .
C18 C 0.7256(4) 0.1153(3) 0.4907(3) 0.0401(15) Uani 1 1 d . . .
C62 C -0.1032(3) 0.5248(3) 0.4776(3) 0.0283(12) Uani 1 1 d . . .
C10 C 0.5832(4) 0.2374(4) 0.7366(3) 0.0399(15) Uani 1 1 d . . .
H10 H 0.549751 0.275300 0.724052 0.048 Uiso 1 1 calc R . .
C59 C -0.3295(3) 0.5243(3) 0.2521(3) 0.0321(12) Uani 1 1 d . . .
N3 N 0.7481(3) 0.1384(3) 0.5489(3) 0.0429(14) Uani 1 1 d . . .
C66 C -0.1726(3) 0.4518(3) 0.5195(3) 0.0328(13) Uani 1 1 d . . .
C60 C -0.3460(3) 0.5439(3) 0.3100(3) 0.0353(13) Uani 1 1 d . . .
C51 C -0.0926(4) 0.2930(4) 0.2548(3) 0.0450(17) Uani 1 1 d . . .
H51 H -0.056749 0.257199 0.266444 0.054 Uiso 1 1 calc R . .
C37 C 0.1727(3) 0.3128(3) 0.4875(3) 0.0349(14) Uani 1 1 d . . .
C61 C -0.0907(3) 0.5493(3) 0.4186(3) 0.0337(13) Uani 1 1 d . . .
C35 C 0.4939(3) 0.3941(3) 0.4102(3) 0.0334(13) Uani 1 1 d . . .
C53 C -0.1734(4) 0.3667(4) 0.1789(3) 0.0451(17) Uani 1 1 d . . .
H53 H -0.192808 0.381089 0.138422 0.054 Uiso 1 1 calc R . .
C24 C 0.5907(4) -0.0422(4) 0.5802(3) 0.0389(14) Uani 1 1 d . . .
C72 C -0.3349(3) 0.3055(3) 0.3639(3) 0.0383(15) Uani 1 1 d . . .
C11 C 0.6071(3) 0.1990(3) 0.6950(3) 0.0311(13) Uani 1 1 d . . .
C2 C 0.8171(3) 0.0020(4) 0.7436(3) 0.0409(15) Uani 1 1 d . . .
C71 C -0.3123(3) 0.3273(3) 0.4305(3) 0.0321(13) Uani 1 1 d . . .
C47 C -0.0171(3) 0.1006(3) 0.5635(3) 0.0349(13) Uani 1 1 d . . .
C39 C 0.2276(4) 0.3291(4) 0.6019(3) 0.0429(15) Uani 1 1 d . . .
H39 H 0.261550 0.361891 0.595782 0.051 Uiso 1 1 calc R . .
C13 C 0.8250(4) 0.2084(4) 0.6326(4) 0.0530(19) Uani 1 1 d . . .
C1 C 0.8363(4) -0.0158(3) 0.6862(3) 0.0397(14) Uani 1 1 d . . .
C56 C -0.2953(4) 0.4775(4) 0.1531(3) 0.0422(15) Uani 1 1 d . . .
H56 H -0.283113 0.460689 0.119314 0.051 Uiso 1 1 calc R . .
C32 C 0.4003(4) 0.3326(4) 0.3087(3) 0.0478(17) Uani 1 1 d . . .
H32 H 0.367504 0.311255 0.274619 0.057 Uiso 1 1 calc R . .
C58 C -0.3672(4) 0.5525(4) 0.1964(3) 0.0402(15) Uani 1 1 d . . .
H58 H -0.403508 0.587318 0.192613 0.048 Uiso 1 1 calc R . .
C40 C 0.2273(4) 0.3129(4) 0.6601(4) 0.054(2) Uani 1 1 d . . .
H40 H 0.261014 0.334059 0.693729 0.065 Uiso 1 1 calc R . .
C65 C -0.1338(4) 0.4738(4) 0.5774(3) 0.0415(15) Uani 1 1 d . . .
H65 H -0.145013 0.455312 0.611067 0.050 Uiso 1 1 calc R . .
C5 C 0.7758(4) 0.0452(4) 0.8413(3) 0.057(2) Uani 1 1 d . . .
H5 H 0.761225 0.060819 0.874190 0.068 Uiso 1 1 calc R . .
C19 C 0.6679(4) 0.0579(4) 0.4783(3) 0.0414(15) Uani 1 1 d . . .
C15 C 0.8352(4) 0.2161(4) 0.5260(4) 0.061(2) Uani 1 1 d . . .
H15 H 0.873721 0.248805 0.539364 0.073 Uiso 1 1 calc R . .
C42 C 0.1281(3) 0.2323(3) 0.6176(3) 0.0330(13) Uani 1 1 d . . .
C69 C -0.3178(4) 0.3202(4) 0.5315(3) 0.0442(17) Uani 1 1 d . . .
H69 H -0.338141 0.301653 0.560188 0.053 Uiso 1 1 calc R . .
C27 C 0.2571(4) 0.1635(4) 0.4076(3) 0.0455(16) Uani 1 1 d . . .
H27 H 0.226896 0.130124 0.418584 0.055 Uiso 1 1 calc R . .
C30 C 0.3490(3) 0.2601(3) 0.3779(3) 0.0319(12) Uani 1 1 d . . .
C28 C 0.2533(5) 0.1745(4) 0.3478(3) 0.059(2) Uani 1 1 d . . .
H28 H 0.219370 0.148509 0.317341 0.070 Uiso 1 1 calc R . .
C64 C -0.0790(4) 0.5227(4) 0.5850(3) 0.0486(17) Uani 1 1 d . . .
H64 H -0.052215 0.538203 0.623873 0.058 Uiso 1 1 calc R . .
C17 C 0.7541(4) 0.1442(4) 0.4477(4) 0.054(2) Uani 1 1 d . . .
H17 H 0.736216 0.129976 0.407027 0.064 Uiso 1 1 calc R . .
C46 C -0.0300(4) 0.0716(5) 0.6140(3) 0.060(2) Uani 1 1 d . . .
H46 H -0.064708 0.035349 0.611083 0.072 Uiso 1 1 calc R . .
C33 C 0.4495(4) 0.3847(4) 0.3021(3) 0.0526(19) Uani 1 1 d . . .
H33 H 0.450244 0.398602 0.263414 0.063 Uiso 1 1 calc R . .
C29 C 0.2980(4) 0.2227(4) 0.3321(3) 0.0511(18) Uani 1 1 d . . .
H29 H 0.294447 0.230351 0.291328 0.061 Uiso 1 1 calc R . .
C36 C 0.5407(3) 0.4268(3) 0.4693(3) 0.0344(14) Uani 1 1 d . . .
C57 C -0.3499(4) 0.5278(4) 0.1463(3) 0.0458(16) Uani 1 1 d . . .
H57 H -0.375197 0.545239 0.107606 0.055 Uiso 1 1 calc R . .
C63 C -0.0633(4) 0.5497(4) 0.5334(3) 0.0385(14) Uani 1 1 d . . .
H63 H -0.026411 0.583833 0.537317 0.046 Uiso 1 1 calc R . .
C21 C 0.5855(5) -0.0251(5) 0.4144(3) 0.059(2) Uani 1 1 d . . .
H21 H 0.562281 -0.044814 0.376076 0.070 Uiso 1 1 calc R . .
C34 C 0.4969(4) 0.4153(4) 0.3530(3) 0.0479(18) Uani 1 1 d . . .
H34 H 0.530734 0.449818 0.349469 0.057 Uiso 1 1 calc R . .
C48 C -0.0587(4) 0.0743(4) 0.5007(3) 0.0424(16) Uani 1 1 d . . .
C16 C 0.8102(4) 0.1952(4) 0.4665(4) 0.062(2) Uani 1 1 d . . .
H16 H 0.830523 0.214913 0.438205 0.074 Uiso 1 1 calc R . .
C14 C 0.8022(4) 0.1877(4) 0.5653(4) 0.0450(17) Uani 1 1 d . . .
C41 C 0.1758(4) 0.2644(4) 0.6676(3) 0.0470(17) Uani 1 1 d . . .
H41 H 0.173643 0.253610 0.706533 0.056 Uiso 1 1 calc R . .
C22 C 0.5693(4) -0.0520(4) 0.4660(3) 0.0493(17) Uani 1 1 d . . .
H22 H 0.537047 -0.090660 0.462941 0.059 Uiso 1 1 calc R . .
C70 C -0.3441(4) 0.2982(4) 0.4715(3) 0.0420(16) Uani 1 1 d . . .
H70 H -0.382062 0.264750 0.458990 0.050 Uiso 1 1 calc R . .
C3 C 0.8518(4) -0.0271(5) 0.8000(3) 0.062(2) Uani 1 1 d . . .
H3 H 0.888695 -0.061392 0.804644 0.074 Uiso 1 1 calc R . .
C4 C 0.8317(4) -0.0051(5) 0.8495(3) 0.065(2) Uani 1 1 d . . .
H4 H 0.855308 -0.023720 0.888134 0.078 Uiso 1 1 calc R . .
C44 C 0.0625(5) 0.1520(5) 0.6729(3) 0.072(3) Uani 1 1 d . . .
H44 H 0.090223 0.170309 0.710494 0.086 Uiso 1 1 calc R . .
C45 C 0.0117(6) 0.0994(6) 0.6699(4) 0.091(4) Uani 1 1 d . . .
H45 H 0.004826 0.081865 0.705667 0.110 Uiso 1 1 calc R . .
O1 O 1.000000 -0.1404(4) 0.750000 0.0515(17) Uani 1 2 d S T P
H1A H 0.959078 -0.118729 0.738605 0.077 Uiso 0.5 1 d G . .
H1B H 1.030977 -0.105912 0.759938 0.077 Uiso 0.5 1 d G . .
H21A H 0.0088(19) 0.147(4) 0.348(2) 0.06(3) Uiso 1 1 d D . .
H21B H 0.0800(19) 0.122(3) 0.372(2) 0.030(17) Uiso 1 1 d D . .
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
O12 Dy2 O5 87.95(15) . .
O12 Dy2 O15 91.35(15) . .
O12 Dy2 O16 93.90(15) . .
O12 Dy2 O14 75.57(15) . .
O12 Dy2 N6 65.57(15) . .
O12 Dy2 N5 129.35(15) . .
O5 Dy2 O15 145.36(15) . .
O5 Dy2 O16 72.55(14) . .
O5 Dy2 N6 135.05(15) . .
O5 Dy2 N5 130.49(16) . .
O15 Dy2 N6 74.32(15) . .
O15 Dy2 N5 74.13(15) . .
O10 Dy2 O12 164.47(14) . .
O10 Dy2 O5 81.82(15) . .
O10 Dy2 O15 90.48(15) . .
O10 Dy2 O16 94.13(15) . .
O10 Dy2 O14 90.38(15) . .
O10 Dy2 N6 129.61(15) . .
O10 Dy2 N5 65.85(15) . .
O16 Dy2 O15 141.96(15) . .
O16 Dy2 N6 73.78(15) . .
O16 Dy2 N5 73.52(15) . .
O14 Dy2 O5 74.38(15) . .
O14 Dy2 O15 71.94(16) . .
O14 Dy2 O16 145.58(15) . .
O14 Dy2 N6 126.97(16) . .
O14 Dy2 N5 138.03(15) . .
N6 Dy2 N5 63.80(15) . .
O17 Dy3 O21 82.86(18) . .
O17 Dy3 O22 86.78(15) . .
O17 Dy3 O23 92.81(15) . .
O17 Dy3 O25 83.91(16) . .
O17 Dy3 N8 129.89(15) . .
O17 Dy3 O19 163.12(15) . .
O17 Dy3 N7 66.41(15) . .
O21 Dy3 O22 71.23(17) . .
O21 Dy3 O23 142.08(16) . .
O21 Dy3 O25 69.98(16) . .
O21 Dy3 N8 133.94(19) . .
O21 Dy3 N7 135.75(17) . .
O22 Dy3 O23 146.40(15) . .
O22 Dy3 O25 140.92(14) . .
O22 Dy3 N8 78.65(15) . .
O22 Dy3 N7 75.82(15) . .
O23 Dy3 O25 72.10(14) . .
O23 Dy3 N8 76.00(15) . .
O23 Dy3 N7 73.33(14) . .
O25 Dy3 N8 134.29(15) . .
O25 Dy3 N7 132.57(16) . .
O19 Dy3 O21 80.88(18) . .
O19 Dy3 O22 92.25(16) . .
O19 Dy3 O23 97.22(15) . .
O19 Dy3 O25 86.29(16) . .
O19 Dy3 N8 66.10(15) . .
O19 Dy3 N7 129.61(15) . .
N7 Dy3 N8 63.57(15) . .
O28 Dy4 O24 87.88(16) . .
O28 Dy4 N12 129.21(16) . .
O28 Dy4 N10 85.41(15) . .
O28 Dy4 N9 83.42(15) . .
O28 Dy4 N11 66.02(14) . .
O30 Dy4 O28 163.94(15) . .
O30 Dy4 O26 90.25(17) . .
O30 Dy4 O24 90.64(17) . .
O30 Dy4 N12 66.42(16) . .
O30 Dy4 N10 83.13(16) . .
O30 Dy4 N9 81.43(16) . .
O30 Dy4 N11 129.48(15) . .
O26 Dy4 O28 95.38(16) . .
O26 Dy4 O24 164.69(14) . .
O26 Dy4 N12 82.41(15) . .
O26 Dy4 N10 66.20(15) . .
O26 Dy4 N9 129.85(15) . .
O26 Dy4 N11 86.74(15) . .
O24 Dy4 N12 83.95(14) . .
O24 Dy4 N10 129.06(14) . .
O24 Dy4 N9 65.35(14) . .
O24 Dy4 N11 80.92(15) . .
N12 Dy4 N10 136.08(16) . .
N12 Dy4 N9 135.18(16) . .
N12 Dy4 N11 63.19(16) . .
N10 Dy4 N9 63.73(15) . .
N10 Dy4 N11 138.80(16) . .
N11 Dy4 N9 135.21(15) . .
O6 Dy1 O4 92.58(18) . .
O6 Dy1 O8 163.31(17) . .
O6 Dy1 O3 88.30(18) . .
O6 Dy1 N4 130.93(17) . .
O6 Dy1 N2 80.69(16) . .
O6 Dy1 N1 79.37(18) . .
O6 Dy1 N3 67.42(19) . .
O4 Dy1 N4 84.09(16) . .
O4 Dy1 N2 65.36(15) . .
O4 Dy1 N1 128.92(15) . .
O4 Dy1 N3 85.49(16) . .
O8 Dy1 O4 91.50(16) . .
O8 Dy1 N4 65.61(16) . .
O8 Dy1 N2 86.34(15) . .
O8 Dy1 N1 85.49(16) . .
O8 Dy1 N3 129.07(18) . .
O3 Dy1 O4 163.36(15) . .
O3 Dy1 O8 92.40(17) . .
O3 Dy1 N4 82.80(16) . .
O3 Dy1 N2 131.05(16) . .
O3 Dy1 N1 67.56(16) . .
O3 Dy1 N3 79.50(16) . .
N2 Dy1 N4 138.12(16) . .
N1 Dy1 N4 137.70(17) . .
N1 Dy1 N2 63.56(16) . .
N3 Dy1 N4 63.51(18) . .
N3 Dy1 N2 135.66(18) . .
N3 Dy1 N1 133.52(18) . .
C61 O28 Dy4 125.4(4) . .
C37 O17 Dy3 127.1(4) . .
C72 O30 Dy4 126.7(4) . .
C36 O12 Dy2 126.2(4) . .
Dy3 O21 H21A 114(4) . .
Dy3 O21 H21B 127(4) . .
H21A O21 H21B 119(4) . .
Dy3 O22 H22A 110.3 . .
Dy3 O22 H22B 109.9 . .
H22A O22 H22B 103.9 . .
C60 O26 Dy4 125.7(4) . .
C12 O5 Dy2 143.8(4) . .
Dy2 O15 H15A 111.2 . .
Dy2 O15 H15B 110.8 . .
H15A O15 H15B 103.1 . .
C13 O6 Dy1 124.2(5) . .
Dy3 O23 H23A 110.4 . .
Dy3 O23 H23B 110.1 . .
H23A O23 H23B 103.6 . .
C12 O4 Dy1 125.0(4) . .
C24 O8 Dy1 125.7(4) . .
C49 O25 Dy3 144.8(4) . .
C49 O24 Dy4 124.2(4) . .
C1 O3 Dy1 124.5(4) . .
C25 O10 Dy2 126.7(4) . .
Dy2 O16 H16A 110.9 . .
Dy2 O16 H16B 110.4 . .
H16A O16 H16B 103.1 . .
C67 N12 Dy4 124.4(4) . .
C67 N12 C71 118.5(5) . .
C71 N12 Dy4 116.9(4) . .
Dy2 O14 H14A 110.9 . .
Dy2 O14 H14B 111.0 . .
H14A O14 H14B 102.7 . .
C43 N8 Dy3 122.7(4) . .
C47 N8 Dy3 117.6(4) . .
C47 N8 C43 119.6(5) . .
C8 C9 H9 120.7 . .
C10 C9 H9 120.7 . .
C10 C9 C8 118.6(6) . .
C48 O19 Dy3 125.9(4) . .
C55 N10 Dy4 122.8(4) . .
C55 N10 C59 119.2(5) . .
C59 N10 Dy4 117.8(4) . .
C9 C8 H8 120.3 . .
C7 C8 C9 119.5(6) . .
C7 C8 H8 120.3 . .
C23 N4 Dy1 119.0(4) . .
C19 N4 Dy1 122.7(4) . .
C19 N4 C23 118.2(6) . .
C7 N2 Dy1 122.6(4) . .
C11 N2 Dy1 118.5(4) . .
C11 N2 C7 118.8(5) . .
C31 N6 Dy2 122.6(4) . .
C35 N6 Dy2 118.1(4) . .
C35 N6 C31 119.3(5) . .
C6 N1 Dy1 124.1(4) . .
C6 N1 C2 119.8(5) . .
C2 N1 Dy1 116.2(4) . .
O5 C12 O4 125.4(6) . .
O5 C12 C11 118.5(5) . .
O4 C12 C11 116.1(5) . .
N9 C50 C49 115.2(5) . .
N9 C50 C51 122.6(5) . .
C51 C50 C49 122.3(6) . .
C50 N9 Dy4 118.3(3) . .
C50 N9 C54 119.7(5) . .
C54 N9 Dy4 121.9(4) . .
C26 N5 Dy2 118.1(4) . .
C26 N5 C30 119.7(5) . .
C30 N5 Dy2 122.2(4) . .
C62 N11 Dy4 118.1(3) . .
C62 N11 C66 117.8(5) . .
C66 N11 Dy4 123.8(4) . .
N6 C31 C32 121.7(6) . .
N6 C31 C30 115.4(5) . .
C32 C31 C30 122.8(6) . .
C19 C20 H20 120.8 . .
C21 C20 H20 120.8 . .
C21 C20 C19 118.4(7) . .
C8 C7 C6 124.1(6) . .
N2 C7 C8 121.5(6) . .
N2 C7 C6 114.3(5) . .
C51 C52 H52 120.5 . .
C53 C52 H52 120.5 . .
C53 C52 C51 119.1(6) . .
N9 C54 C55 115.4(5) . .
N9 C54 C53 119.9(6) . .
C53 C54 C55 124.6(6) . .
N8 C43 C42 115.3(5) . .
N8 C43 C44 120.0(6) . .
C44 C43 C42 124.7(6) . .
C38 N7 Dy3 116.3(4) . .
C38 N7 C42 120.4(5) . .
C42 N7 Dy3 123.3(4) . .
N7 C38 C37 115.8(5) . .
N7 C38 C39 120.8(6) . .
C39 C38 C37 123.4(6) . .
N12 C67 C68 121.5(6) . .
N12 C67 C66 114.5(5) . .
C68 C67 C66 123.9(6) . .
N10 C55 C54 116.0(5) . .
N10 C55 C56 120.9(6) . .
C56 C55 C54 123.1(5) . .
N5 C26 C25 114.4(5) . .
N5 C26 C27 122.8(6) . .
C27 C26 C25 122.7(5) . .
O25 C49 O24 124.8(6) . .
O25 C49 C50 118.3(5) . .
O24 C49 C50 116.9(5) . .
C67 C68 H68 120.3 . .
C69 C68 C67 119.3(6) . .
C69 C68 H68 120.3 . .
N1 C6 C7 115.3(5) . .
N1 C6 C5 122.0(6) . .
C5 C6 C7 122.7(6) . .
O11 C25 O10 125.6(6) . .
O11 C25 C26 119.5(5) . .
O10 C25 C26 114.9(5) . .
N4 C23 C24 112.3(5) . .
N4 C23 C22 123.6(6) . .
C22 C23 C24 124.1(6) . .
N3 C18 C19 113.9(5) . .
N3 C18 C17 121.1(7) . .
C17 C18 C19 124.9(7) . .
N11 C62 C61 113.7(5) . .
N11 C62 C63 123.1(5) . .
C63 C62 C61 123.3(5) . .
C9 C10 H10 120.8 . .
C11 C10 C9 118.5(6) . .
C11 C10 H10 120.8 . .
N10 C59 C60 114.1(5) . .
N10 C59 C58 122.9(6) . .
C58 C59 C60 123.0(6) . .
C18 N3 Dy1 124.5(4) . .
C14 N3 Dy1 116.9(5) . .
C14 N3 C18 118.5(5) . .
N11 C66 C67 113.7(5) . .
N11 C66 C65 122.2(6) . .
C65 C66 C67 124.1(5) . .
O26 C60 C59 116.2(5) . .
O27 C60 O26 125.6(6) . .
O27 C60 C59 118.2(6) . .
C50 C51 C52 118.4(6) . .
C50 C51 H51 120.8 . .
C52 C51 H51 120.8 . .
O17 C37 C38 114.4(5) . .
O18 C37 O17 126.0(6) . .
O18 C37 C38 119.6(6) . .
O28 C61 C62 116.4(5) . .
O29 C61 O28 124.0(6) . .
O29 C61 C62 119.6(6) . .
N6 C35 C36 114.5(5) . .
N6 C35 C34 121.6(6) . .
C34 C35 C36 123.9(6) . .
C52 C53 C54 120.4(6) . .
C52 C53 H53 119.8 . .
C54 C53 H53 119.8 . .
O8 C24 C23 116.8(6) . .
O9 C24 O8 124.3(6) . .
O9 C24 C23 118.9(6) . .
O30 C72 C71 114.6(5) . .
O31 C72 O30 127.4(7) . .
O31 C72 C71 117.9(6) . .
N2 C11 C12 114.7(5) . .
N2 C11 C10 123.1(6) . .
C10 C11 C12 122.2(6) . .
N1 C2 C1 114.7(6) . .
N1 C2 C3 121.0(6) . .
C3 C2 C1 124.3(6) . .
N12 C71 C72 114.7(5) . .
N12 C71 C70 122.6(6) . .
C70 C71 C72 122.7(6) . .
N8 C47 C46 123.9(6) . .
N8 C47 C48 115.3(5) . .
C46 C47 C48 120.8(6) . .
C38 C39 H39 120.2 . .
C40 C39 C38 119.7(6) . .
C40 C39 H39 120.2 . .
O6 C13 C14 116.6(6) . .
O7 C13 O6 126.4(8) . .
O7 C13 C14 117.0(7) . .
O3 C1 C2 116.7(5) . .
O2 C1 O3 124.4(6) . .
O2 C1 C2 118.9(6) . .
C55 C56 H56 120.5 . .
C57 C56 C55 118.9(6) . .
C57 C56 H56 120.5 . .
C31 C32 H32 120.5 . .
C31 C32 C33 119.1(7) . .
C33 C32 H32 120.5 . .
C59 C58 H58 121.1 . .
C59 C58 C57 117.8(6) . .
C57 C58 H58 121.1 . .
C39 C40 H40 120.6 . .
C39 C40 C41 118.7(7) . .
C41 C40 H40 120.6 . .
C66 C65 H65 120.3 . .
C64 C65 C66 119.3(6) . .
C64 C65 H65 120.3 . .
C6 C5 H5 120.7 . .
C6 C5 C4 118.6(7) . .
C4 C5 H5 120.7 . .
N4 C19 C20 121.8(7) . .
N4 C19 C18 115.1(6) . .
C20 C19 C18 123.1(6) . .
C16 C15 H15 121.0 . .
C14 C15 H15 121.0 . .
C14 C15 C16 117.9(8) . .
N7 C42 C43 114.7(5) . .
N7 C42 C41 120.8(6) . .
C41 C42 C43 124.5(6) . .
C68 C69 H69 119.9 . .
C68 C69 C70 120.2(6) . .
C70 C69 H69 119.9 . .
C26 C27 H27 121.6 . .
C28 C27 C26 116.8(6) . .
C28 C27 H27 121.6 . .
N5 C30 C31 115.9(5) . .
N5 C30 C29 120.6(6) . .
C29 C30 C31 123.5(6) . .
C27 C28 H28 119.3 . .
C29 C28 C27 121.4(7) . .
C29 C28 H28 119.3 . .
C65 C64 H64 120.4 . .
C65 C64 C63 119.1(6) . .
C63 C64 H64 120.4 . .
C18 C17 H17 120.7 . .
C18 C17 C16 118.6(8) . .
C16 C17 H17 120.7 . .
C47 C46 H46 121.9 . .
C47 C46 C45 116.2(7) . .
C45 C46 H46 121.9 . .
C32 C33 H33 120.4 . .
C34 C33 C32 119.2(6) . .
C34 C33 H33 120.4 . .
C30 C29 H29 120.7 . .
C28 C29 C30 118.7(6) . .
C28 C29 H29 120.7 . .
O12 C36 C35 115.4(5) . .
O13 C36 O12 126.2(6) . .
O13 C36 C35 118.4(5) . .
C56 C57 C58 120.1(6) . .
C56 C57 H57 119.9 . .
C58 C57 H57 119.9 . .
C62 C63 C64 118.4(6) . .
C62 C63 H63 120.8 . .
C64 C63 H63 120.8 . .
C20 C21 H21 119.8 . .
C20 C21 C22 120.3(7) . .
C22 C21 H21 119.8 . .
C35 C34 H34 120.4 . .
C33 C34 C35 119.1(6) . .
C33 C34 H34 120.4 . .
O20 C48 O19 124.9(7) . .
O20 C48 C47 120.3(6) . .
O19 C48 C47 114.7(5) . .
C15 C16 C17 120.1(7) . .
C15 C16 H16 119.9 . .
C17 C16 H16 119.9 . .
N3 C14 C13 114.1(6) . .
N3 C14 C15 123.6(8) . .
C15 C14 C13 122.3(7) . .
C40 C41 H41 120.2 . .
C42 C41 C40 119.6(7) . .
C42 C41 H41 120.2 . .
C23 C22 C21 117.6(7) . .
C23 C22 H22 121.2 . .
C21 C22 H22 121.2 . .
C71 C70 H70 121.0 . .
C69 C70 C71 117.9(6) . .
C69 C70 H70 121.0 . .
C2 C3 H3 120.3 . .
C2 C3 C4 119.4(7) . .
C4 C3 H3 120.3 . .
C5 C4 H4 120.4 . .
C3 C4 C5 119.3(7) . .
C3 C4 H4 120.4 . .
C43 C44 H44 120.1 . .
C45 C44 C43 119.7(7) . .
C45 C44 H44 120.1 . .
C46 C45 H45 119.7 . .
C44 C45 C46 120.6(7) . .
C44 C45 H45 119.7 . .
H1A O1 H1A 124.5 . 2_756
H1A O1 H1B 104.5 2_756 2_756
H1A O1 H1B 104.5 . .
H1A O1 H1B 20.2 . 2_756
H1B O1 H1A 20.2 . 2_756
H1B O1 H1B 84.5 . 2_756
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy2 O12 2.322(4) .
Dy2 O5 2.378(4) .
Dy2 O15 2.390(4) .
Dy2 O10 2.301(4) .
Dy2 O16 2.383(4) .
Dy2 O14 2.377(4) .
Dy2 N6 2.486(5) .
Dy2 N5 2.490(5) .
Dy3 O17 2.279(4) .
Dy3 O21 2.360(4) .
Dy3 O22 2.365(4) .
Dy3 O23 2.390(4) .
Dy3 O25 2.411(4) .
Dy3 N8 2.484(4) .
Dy3 O19 2.288(4) .
Dy3 N7 2.483(5) .
Dy4 O28 2.323(4) .
Dy4 O30 2.286(4) .
Dy4 O26 2.303(4) .
Dy4 O24 2.381(4) .
Dy4 N12 2.464(4) .
Dy4 N10 2.485(5) .
Dy4 N9 2.502(4) .
Dy4 N11 2.488(5) .
Dy1 O6 2.292(5) .
Dy1 O4 2.352(4) .
Dy1 O8 2.316(4) .
Dy1 O3 2.295(4) .
Dy1 N4 2.491(5) .
Dy1 N2 2.490(4) .
Dy1 N1 2.463(5) .
Dy1 N3 2.460(5) .
O28 C61 1.270(7) .
O17 C37 1.272(7) .
O30 C72 1.268(7) .
O12 C36 1.268(7) .
O21 H21A 0.814(19) .
O21 H21B 0.801(19) .
O22 H22A 0.8622 .
O22 H22B 0.8651 .
O26 C60 1.279(7) .
O5 C12 1.237(7) .
O15 H15A 0.8822 .
O15 H15B 0.8823 .
O6 C13 1.268(8) .
O23 H23A 0.8681 .
O23 H23B 0.8670 .
O4 C12 1.277(7) .
O8 C24 1.266(8) .
O25 C49 1.247(7) .
O24 C49 1.275(7) .
O3 C1 1.261(8) .
O2 C1 1.232(7) .
O11 C25 1.222(6) .
O10 C25 1.279(7) .
O16 H16A 0.8798 .
O16 H16B 0.8791 .
O18 C37 1.217(7) .
N12 C67 1.344(7) .
N12 C71 1.349(7) .
O14 H14A 0.8887 .
O14 H14B 0.8883 .
N8 C43 1.349(8) .
N8 C47 1.317(7) .
O20 C48 1.217(7) .
C9 H9 0.9300 .
C9 C8 1.392(10) .
C9 C10 1.389(9) .
O29 C61 1.230(7) .
O27 C60 1.241(7) .
O19 C48 1.297(7) .
N10 C55 1.330(7) .
N10 C59 1.343(7) .
C8 H8 0.9300 .
C8 C7 1.380(8) .
O9 C24 1.243(8) .
N4 C23 1.341(8) .
N4 C19 1.340(8) .
N2 C7 1.351(7) .
N2 C11 1.332(7) .
N6 C31 1.341(7) .
N6 C35 1.335(7) .
N1 C6 1.325(7) .
N1 C2 1.350(8) .
C12 C11 1.497(8) .
C50 N9 1.337(7) .
C50 C49 1.492(8) .
C50 C51 1.370(8) .
N9 C54 1.345(7) .
O31 C72 1.213(7) .
O13 C36 1.230(7) .
N5 C26 1.327(7) .
N5 C30 1.338(7) .
N11 C62 1.340(7) .
N11 C66 1.350(7) .
C31 C32 1.375(8) .
C31 C30 1.470(8) .
C20 H20 0.9300 .
C20 C19 1.400(10) .
C20 C21 1.345(11) .
C7 C6 1.484(9) .
C52 H52 0.9300 .
C52 C51 1.386(9) .
C52 C53 1.364(9) .
C54 C55 1.472(8) .
C54 C53 1.391(8) .
C43 C42 1.477(8) .
C43 C44 1.371(9) .
N7 C38 1.334(7) .
N7 C42 1.344(7) .
C38 C37 1.507(9) .
C38 C39 1.373(9) .
O7 C13 1.227(9) .
C67 C68 1.382(7) .
C67 C66 1.490(8) .
C55 C56 1.391(8) .
C26 C25 1.521(8) .
C26 C27 1.374(9) .
C68 H68 0.9300 .
C68 C69 1.366(10) .
C6 C5 1.375(9) .
C23 C24 1.522(9) .
C23 C22 1.349(9) .
C18 N3 1.343(9) .
C18 C19 1.491(9) .
C18 C17 1.377(8) .
C62 C61 1.517(8) .
C62 C63 1.357(8) .
C10 H10 0.9300 .
C10 C11 1.378(8) .
C59 C60 1.506(8) .
C59 C58 1.364(8) .
N3 C14 1.343(8) .
C66 C65 1.374(9) .
C51 H51 0.9300 .
C35 C36 1.507(9) .
C35 C34 1.389(8) .
C53 H53 0.9300 .
C72 C71 1.512(9) .
C2 C1 1.513(9) .
C2 C3 1.372(9) .
C71 C70 1.381(8) .
C47 C46 1.368(8) .
C47 C48 1.500(9) .
C39 H39 0.9300 .
C39 C40 1.373(10) .
C13 C14 1.522(11) .
C56 H56 0.9300 .
C56 C57 1.372(9) .
C32 H32 0.9300 .
C32 C33 1.386(10) .
C58 H58 0.9300 .
C58 C57 1.374(9) .
C40 H40 0.9300 .
C40 C41 1.382(10) .
C65 H65 0.9300 .
C65 C64 1.355(9) .
C5 H5 0.9300 .
C5 C4 1.386(10) .
C15 H15 0.9300 .
C15 C16 1.360(13) .
C15 C14 1.359(9) .
C42 C41 1.365(9) .
C69 H69 0.9300 .
C69 C70 1.377(10) .
C27 H27 0.9300 .
C27 C28 1.372(9) .
C30 C29 1.383(9) .
C28 H28 0.9300 .
C28 C29 1.357(10) .
C64 H64 0.9300 .
C64 C63 1.402(9) .
C17 H17 0.9300 .
C17 C16 1.393(12) .
C46 H46 0.9300 .
C46 C45 1.386(11) .
C33 H33 0.9300 .
C33 C34 1.366(10) .
C29 H29 0.9300 .
C57 H57 0.9300 .
C63 H63 0.9300 .
C21 H21 0.9300 .
C21 C22 1.407(10) .
C34 H34 0.9300 .
C16 H16 0.9300 .
C41 H41 0.9300 .
C22 H22 0.9300 .
C70 H70 0.9300 .
C3 H3 0.9300 .
C3 C4 1.372(10) .
C4 H4 0.9300 .
C44 H44 0.9300 .
C44 C45 1.360(11) .
C45 H45 0.9300 .
O1 H1A 0.85(16) 2_756
O1 H1A 0.8506 .
O1 H1B 0.85(19) 2_756
O1 H1B 0.8504 .
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
Dy2 O12 C36 O13 176.9(4)
Dy2 O12 C36 C35 -5.8(7)
Dy2 O5 C12 O4 17.2(11)
Dy2 O5 C12 C11 -164.8(5)
Dy2 O10 C25 O11 -177.4(4)
Dy2 O10 C25 C26 1.1(7)
Dy2 N6 C31 C32 178.5(5)
Dy2 N6 C31 C30 2.3(7)
Dy2 N6 C35 C36 -2.3(6)
Dy2 N6 C35 C34 -179.6(5)
Dy2 N5 C26 C25 1.7(6)
Dy2 N5 C26 C27 -176.0(5)
Dy2 N5 C30 C31 -2.6(7)
Dy2 N5 C30 C29 177.9(5)
Dy3 O17 C37 O18 176.4(5)
Dy3 O17 C37 C38 -2.5(7)
Dy3 O25 C49 O24 -12.8(11)
Dy3 O25 C49 C50 169.0(5)
Dy3 N8 C43 C42 -6.9(7)
Dy3 N8 C43 C44 175.6(6)
Dy3 N8 C47 C46 -176.4(6)
Dy3 N8 C47 C48 4.9(7)
Dy3 O19 C48 O20 -178.1(5)
Dy3 O19 C48 C47 6.6(8)
Dy3 N7 C38 C37 -0.6(6)
Dy3 N7 C38 C39 178.0(4)
Dy3 N7 C42 C43 2.9(7)
Dy3 N7 C42 C41 -176.5(5)
Dy4 O28 C61 O29 -175.9(5)
Dy4 O28 C61 C62 3.7(8)
Dy4 O30 C72 O31 174.2(6)
Dy4 O30 C72 C71 -7.1(8)
Dy4 O26 C60 O27 -178.2(5)
Dy4 O26 C60 C59 2.3(8)
Dy4 O24 C49 O25 -175.7(4)
Dy4 O24 C49 C50 2.6(7)
Dy4 N12 C67 C68 176.6(4)
Dy4 N12 C67 C66 -5.6(7)
Dy4 N12 C71 C72 5.6(6)
Dy4 N12 C71 C70 -175.3(5)
Dy4 N10 C55 C54 -4.1(7)
Dy4 N10 C55 C56 176.6(4)
Dy4 N10 C59 C60 1.6(6)
Dy4 N10 C59 C58 -177.9(5)
Dy4 N9 C54 C55 -2.0(7)
Dy4 N9 C54 C53 -178.9(5)
Dy4 N11 C62 C61 6.1(6)
Dy4 N11 C62 C63 -174.1(5)
Dy4 N11 C66 C67 -5.9(7)
Dy4 N11 C66 C65 172.8(5)
Dy1 O6 C13 O7 -173.3(7)
Dy1 O6 C13 C14 9.9(9)
Dy1 O4 C12 O5 174.6(4)
Dy1 O4 C12 C11 -3.4(7)
Dy1 O8 C24 O9 172.9(5)
Dy1 O8 C24 C23 -9.4(8)
Dy1 O3 C1 O2 -173.4(5)
Dy1 O3 C1 C2 6.5(8)
Dy1 N4 C23 C24 -4.1(7)
Dy1 N4 C23 C22 177.7(5)
Dy1 N4 C19 C20 -175.3(5)
Dy1 N4 C19 C18 5.2(7)
Dy1 N2 C7 C8 175.9(5)
Dy1 N2 C7 C6 -0.4(7)
Dy1 N2 C11 C12 4.5(6)
Dy1 N2 C11 C10 -174.3(5)
Dy1 N1 C6 C7 -4.2(8)
Dy1 N1 C6 C5 178.0(5)
Dy1 N1 C2 C1 3.0(7)
Dy1 N1 C2 C3 -177.0(6)
Dy1 N3 C14 C13 -1.9(7)
Dy1 N3 C14 C15 177.0(5)
O30 C72 C71 N12 0.2(8)
O30 C72 C71 C70 -178.9(6)
O5 C12 C11 N2 -179.2(5)
O5 C12 C11 C10 -0.4(9)
O6 C13 C14 N3 -4.6(9)
O6 C13 C14 C15 176.5(7)
O4 C12 C11 N2 -1.0(8)
O4 C12 C11 C10 177.8(6)
N12 C67 C68 C69 -2.4(10)
N12 C67 C66 N11 7.1(7)
N12 C67 C66 C65 -171.6(6)
N12 C71 C70 C69 -1.0(9)
N8 C43 C42 N7 2.5(8)
N8 C43 C42 C41 -178.1(6)
N8 C43 C44 C45 0.1(13)
N8 C47 C46 C45 1.0(12)
N8 C47 C48 O20 177.2(6)
N8 C47 C48 O19 -7.3(9)
C9 C8 C7 N2 -0.4(10)
C9 C8 C7 C6 175.5(6)
C9 C10 C11 N2 -3.0(10)
C9 C10 C11 C12 178.3(6)
N10 C55 C56 C57 -0.8(10)
N10 C59 C60 O26 -2.4(8)
N10 C59 C60 O27 178.0(5)
N10 C59 C58 C57 2.8(9)
C8 C9 C10 C11 1.8(10)
C8 C7 C6 N1 -173.4(6)
C8 C7 C6 C5 4.5(11)
N4 C23 C24 O8 8.3(8)
N4 C23 C24 O9 -173.8(6)
N4 C23 C22 C21 -1.9(11)
N2 C7 C6 N1 2.9(8)
N2 C7 C6 C5 -179.3(7)
N6 C31 C32 C33 2.0(10)
N6 C31 C30 N5 0.2(8)
N6 C31 C30 C29 179.6(6)
N6 C35 C36 O12 5.0(8)
N6 C35 C36 O13 -177.5(5)
N6 C35 C34 C33 0.3(10)
N1 C6 C5 C4 0.4(12)
N1 C2 C1 O3 -6.0(9)
N1 C2 C1 O2 173.9(6)
N1 C2 C3 C4 -2.4(12)
C50 N9 C54 C55 177.1(5)
C50 N9 C54 C53 0.2(9)
N9 C50 C49 O25 178.1(5)
N9 C50 C49 O24 -0.3(8)
N9 C50 C51 C52 0.5(11)
N9 C54 C55 N10 3.9(8)
N9 C54 C55 C56 -176.9(6)
N9 C54 C53 C52 -0.8(10)
O31 C72 C71 N12 179.1(6)
O31 C72 C71 C70 0.0(10)
N5 C26 C25 O11 176.8(5)
N5 C26 C25 O10 -1.8(7)
N5 C26 C27 C28 -2.6(10)
N5 C30 C29 C28 -1.2(11)
N11 C62 C61 O28 -6.4(8)
N11 C62 C61 O29 173.3(5)
N11 C62 C63 C64 1.0(9)
N11 C66 C65 C64 0.9(10)
C31 N6 C35 C36 178.7(5)
C31 N6 C35 C34 1.4(9)
C31 C32 C33 C34 -0.2(11)
C31 C30 C29 C28 179.4(7)
C20 C21 C22 C23 2.5(12)
C7 N2 C11 C12 -178.8(5)
C7 N2 C11 C10 2.4(9)
C7 C6 C5 C4 -177.3(7)
C54 C55 C56 C57 180.0(6)
C43 N8 C47 C46 -1.0(10)
C43 N8 C47 C48 -179.6(6)
C43 C42 C41 C40 177.8(6)
C43 C44 C45 C46 0.0(16)
N7 C38 C37 O17 1.9(7)
N7 C38 C37 O18 -177.1(5)
N7 C38 C39 C40 0.0(10)
N7 C42 C41 C40 -2.9(10)
C38 N7 C42 C43 -178.1(5)
C38 N7 C42 C41 2.5(9)
C38 C39 C40 C41 -0.4(11)
O7 C13 C14 N3 178.2(7)
O7 C13 C14 C15 -0.6(12)
C67 N12 C71 C72 -178.7(5)
C67 N12 C71 C70 0.4(9)
C67 C68 C69 C70 1.7(10)
C67 C66 C65 C64 179.5(6)
C55 N10 C59 C60 176.2(5)
C55 N10 C59 C58 -3.4(9)
C55 C54 C53 C52 -177.4(7)
C55 C56 C57 C58 0.3(10)
C26 N5 C30 C31 178.9(5)
C26 N5 C30 C29 -0.5(9)
C26 C27 C28 C29 0.7(12)
C49 C50 N9 Dy4 -1.8(6)
C49 C50 N9 C54 179.1(5)
C49 C50 C51 C52 -178.6(7)
C68 C67 C66 N11 -175.2(6)
C68 C67 C66 C65 6.1(10)
C68 C69 C70 C71 -0.1(10)
C6 N1 C2 C1 -177.4(6)
C6 N1 C2 C3 2.7(10)
C6 C5 C4 C3 -0.1(13)
C25 C26 C27 C28 179.9(6)
C23 N4 C19 C20 3.4(9)
C23 N4 C19 C18 -176.2(5)
C18 N3 C14 C13 -178.3(6)
C18 N3 C14 C15 0.5(10)
C18 C17 C16 C15 -0.7(11)
C62 N11 C66 C67 -179.6(5)
C62 N11 C66 C65 -0.9(8)
C10 C9 C8 C7 -0.2(11)
C59 N10 C55 C54 -178.5(5)
C59 N10 C55 C56 2.3(9)
C59 C58 C57 C56 -1.2(10)
N3 C18 C19 N4 -3.8(8)
N3 C18 C19 C20 176.6(6)
N3 C18 C17 C16 3.7(10)
C66 N11 C62 C61 -179.9(5)
C66 N11 C62 C63 -0.1(8)
C66 C67 C68 C69 -180.0(6)
C66 C65 C64 C63 0.0(10)
C60 C59 C58 C57 -176.7(6)
C51 C50 N9 Dy4 179.0(5)
C51 C50 N9 C54 -0.1(9)
C51 C50 C49 O25 -2.8(9)
C51 C50 C49 O24 178.8(6)
C51 C52 C53 C54 1.2(12)
C37 C38 C39 C40 178.5(6)
C61 C62 C63 C64 -179.3(6)
C35 N6 C31 C32 -2.6(9)
C35 N6 C31 C30 -178.8(5)
C53 C52 C51 C50 -1.0(12)
C53 C54 C55 N10 -179.4(6)
C53 C54 C55 C56 -0.1(10)
C24 C23 C22 C21 -179.9(7)
C72 C71 C70 C69 178.0(6)
C11 N2 C7 C8 -0.7(9)
C11 N2 C7 C6 -177.0(5)
C2 N1 C6 C7 176.2(5)
C2 N1 C6 C5 -1.7(10)
C2 C3 C4 C5 1.1(14)
C71 N12 C67 C68 1.3(9)
C71 N12 C67 C66 179.1(5)
C47 N8 C43 C42 177.9(5)
C47 N8 C43 C44 0.4(10)
C47 C46 C45 C44 -0.5(15)
C39 C38 C37 O17 -176.7(6)
C39 C38 C37 O18 4.3(9)
C39 C40 C41 C42 1.9(11)
C1 C2 C3 C4 177.7(7)
C32 C31 C30 N5 -175.9(6)
C32 C31 C30 C29 3.5(10)
C32 C33 C34 C35 -0.9(11)
C58 C59 C60 O26 177.1(6)
C58 C59 C60 O27 -2.4(9)
C65 C64 C63 C62 -0.9(10)
C19 N4 C23 C24 177.2(5)
C19 N4 C23 C22 -1.0(10)
C19 C20 C21 C22 -0.3(12)
C19 C18 N3 Dy1 0.9(7)
C19 C18 N3 C14 177.1(6)
C19 C18 C17 C16 -177.1(6)
C42 C43 C44 C45 -177.2(8)
C42 N7 C38 C37 -179.6(5)
C42 N7 C38 C39 -1.0(8)
C27 C26 C25 O11 -5.5(9)
C27 C26 C25 O10 175.9(6)
C27 C28 C29 C30 1.1(13)
C30 N5 C26 C25 -179.8(5)
C30 N5 C26 C27 2.5(9)
C30 C31 C32 C33 177.9(6)
C17 C18 N3 Dy1 -179.8(5)
C17 C18 N3 C14 -3.6(9)
C17 C18 C19 N4 176.9(6)
C17 C18 C19 C20 -2.6(11)
C46 C47 C48 O20 -1.5(11)
C46 C47 C48 O19 174.0(7)
C36 C35 C34 C33 -176.7(6)
C63 C62 C61 O28 173.9(6)
C63 C62 C61 O29 -6.5(9)
C21 C20 C19 N4 -2.7(11)
C21 C20 C19 C18 176.8(7)
C34 C35 C36 O12 -177.8(6)
C34 C35 C36 O13 -0.2(9)
C48 C47 C46 C45 179.6(8)
C16 C15 C14 N3 2.4(11)
C16 C15 C14 C13 -178.9(7)
C14 C15 C16 C17 -2.2(11)
C22 C23 C24 O8 -173.5(7)
C22 C23 C24 O9 4.4(10)
C3 C2 C1 O3 173.9(7)
C3 C2 C1 O2 -6.1(11)
C44 C43 C42 N7 179.9(7)
C44 C43 C42 C41 -0.8(11)
