#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:20:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179686 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/08/7000832.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_7000832
loop_
_publ_author_name
'Zhao, Xiao-Qing'
'Zhao, Bin'
'Shi, Wei'
'Cheng, Peng'
'Liao, Dai-Zheng'
'Yan, Shi-Ping'
_publ_section_title
;
 Self-assembly of novel 3d--4d--4f heterometal--organic framework based
 on double-stranded helical motifs
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2281
_journal_page_last               2283
_journal_paper_doi               10.1039/b821295n
_journal_year                    2009
_chemical_formula_moiety         'C21 H36 Cd Co Dy N3 O29'
_chemical_formula_sum            'C21 H36 Cd Co Dy N3 O29'
_chemical_formula_weight         1128.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.71(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9449(18)
_cell_length_b                   24.424(5)
_cell_length_c                   18.089(5)
_cell_measurement_reflns_used    5628
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.0983
_cell_measurement_theta_min      2.4342
_cell_volume                     3696.5(16)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.1380
_diffrn_reflns_av_sigmaI/netI    0.1299
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27845
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    3.122
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    2.027
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.323
_refine_diff_density_min         -1.651
_refine_diff_density_rms         0.236
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         6494
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.1118
_refine_ls_R_factor_gt           0.0747
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0369P)²+8.0652P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1348
_refine_ls_wR_factor_ref         0.1502
_reflns_number_gt                4820
_reflns_number_total             6494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b821295n.txt
_cod_data_source_block           r71127d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3696.5(15)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7000832
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.97694(6) 0.81231(2) 0.43894(3) 0.01483(16) Uani 1 1 d . . .
Cd1 Cd 1.59171(12) 0.91230(4) 0.58530(6) 0.0185(3) Uani 0.75 1 d P . .
Co2 Co 1.59171(12) 0.91230(4) 0.58530(6) 0.0185(3) Uani 0.25 1 d P . .
Co1 Co 0.52704(15) 0.66395(5) 0.50685(8) 0.0194(3) Uani 0.75 1 d P . .
Cd2 Cd 0.52704(15) 0.66395(5) 0.50685(8) 0.0194(3) Uani 0.25 1 d P . .
C1 C 0.8562(13) 0.7268(4) 0.5485(7) 0.015(3) Uani 1 1 d . . .
C2 C 1.0051(13) 0.7496(4) 0.6093(6) 0.014(2) Uani 1 1 d . . .
C3 C 1.0651(13) 0.7306(4) 0.6855(7) 0.015(3) Uani 1 1 d . . .
H3A H 1.0121 0.7030 0.7018 0.018 Uiso 1 1 d R . .
C4 C 1.2075(14) 0.7528(4) 0.7377(7) 0.019(3) Uani 1 1 d . . .
C5 C 1.2801(14) 0.7944(4) 0.7101(7) 0.017(3) Uani 1 1 d . . .
H5 H 1.3736 0.8110 0.7430 0.020 Uiso 1 1 d R . .
C6 C 1.2098(13) 0.8110(4) 0.6320(7) 0.015(3) Uani 1 1 d . . .
C7 C 1.2841(13) 0.8528(4) 0.5934(8) 0.017(3) Uani 1 1 d . . .
C8 C 0.7985(14) 0.9209(5) 0.4792(7) 0.020(3) Uani 1 1 d . . .
C9 C 0.8697(13) 0.9456(4) 0.4222(7) 0.015(3) Uani 1 1 d . . .
C10 C 0.8550(14) 1.0009(5) 0.4035(7) 0.021(3) Uani 1 1 d . . .
H10 H 0.7959 1.0244 0.4230 0.026 Uiso 1 1 d R . .
C11 C 0.9354(13) 1.0193(4) 0.3531(7) 0.018(3) Uani 1 1 d . . .
C12 C 1.0180(13) 0.9828(5) 0.3224(7) 0.020(3) Uani 1 1 d . . .
H12 H 1.0675 0.9937 0.2875 0.025 Uiso 1 1 d R . .
C13 C 1.0210(13) 0.9284(4) 0.3464(7) 0.017(3) Uani 1 1 d . . .
C14 C 1.1078(13) 0.8842(4) 0.3193(7) 0.012(2) Uani 1 1 d . . .
C15 C 0.6764(15) 0.7850(5) 0.2709(8) 0.025(3) Uani 1 1 d . . .
C16 C 0.7840(12) 0.7340(4) 0.2800(6) 0.011(2) Uani 1 1 d . . .
C17 C 0.7402(13) 0.6912(4) 0.2253(7) 0.018(3) Uani 1 1 d . . .
H17 H 0.6438 0.6921 0.1829 0.022 Uiso 1 1 d R . .
C18 C 0.8441(14) 0.6471(5) 0.2363(7) 0.019(3) Uani 1 1 d . . .
C19 C 0.9852(13) 0.6474(5) 0.3035(7) 0.018(3) Uani 1 1 d . . .
H19 H 1.0552 0.6179 0.3138 0.022 Uiso 1 1 d R . .
C20 C 1.0165(13) 0.6922(4) 0.3532(7) 0.016(3) Uani 1 1 d . . .
C21 C 1.1633(15) 0.6968(4) 0.4238(8) 0.021(3) Uani 1 1 d . . .
N1 N 1.0728(10) 0.7899(4) 0.5818(5) 0.014(2) Uani 1 1 d . . .
N2 N 0.9489(10) 0.9096(4) 0.3950(6) 0.017(2) Uani 1 1 d . . .
N3 N 0.9174(10) 0.7352(3) 0.3440(5) 0.012(2) Uani 1 1 d . . .
O1 O 0.8134(9) 0.7492(3) 0.4806(5) 0.0181(18) Uani 1 1 d . . .
O2 O 0.7821(9) 0.6891(3) 0.5676(5) 0.0223(19) Uani 1 1 d . . .
O3 O 1.2783(10) 0.7352(3) 0.8117(5) 0.025(2) Uani 1 1 d . . .
H3 H 1.2158 0.7159 0.8241 0.038 Uiso 1 1 d R . .
O4 O 1.4131(9) 0.8750(3) 0.6348(5) 0.0208(19) Uani 1 1 d . . .
O5 O 1.2094(9) 0.8619(3) 0.5210(4) 0.0163(18) Uani 1 1 d . . .
O6 O 0.8233(9) 0.8701(3) 0.4909(5) 0.0160(18) Uani 1 1 d . . .
O7 O 0.7250(9) 0.9504(3) 0.5112(5) 0.0199(19) Uani 1 1 d . . .
O8 O 0.9298(10) 1.0738(3) 0.3367(5) 0.026(2) Uani 1 1 d . . .
H8 H 1.0178 1.0842 0.3379 0.039 Uiso 1 1 d R . .
O9 O 1.1721(10) 0.8955(3) 0.2699(5) 0.026(2) Uani 1 1 d . . .
O10 O 1.1110(9) 0.8364(3) 0.3506(5) 0.0172(18) Uani 1 1 d . . .
O11 O 0.7263(8) 0.8177(3) 0.3304(5) 0.0178(18) Uani 1 1 d . . .
O12 O 0.5565(9) 0.7917(3) 0.2123(5) 0.0228(19) Uani 1 1 d . . .
O13 O 0.8141(10) 0.6065(3) 0.1838(5) 0.0208(19) Uani 1 1 d . . .
O14 O 1.2693(10) 0.6604(3) 0.4383(5) 0.024(2) Uani 1 1 d . . .
O15 O 1.1781(9) 0.7405(3) 0.4661(5) 0.0168(18) Uani 1 1 d . . .
O16 O 0.5358(10) 0.7047(3) 0.4033(5) 0.031(2) Uani 1 1 d . . .
H16A H 0.4688 0.7293 0.3840 0.037 Uiso 1 1 d R . .
H16B H 0.6208 0.7281 0.4164 0.037 Uiso 1 1 d R . .
O17 O 0.5678(12) 0.5909(4) 0.4613(6) 0.055(3) Uani 1 1 d . . .
H17A H 0.5409 0.5611 0.4776 0.066 Uiso 1 1 d R . .
H17B H 0.6114 0.5901 0.4265 0.066 Uiso 1 1 d R . .
O18 O 0.5164(11) 0.6223(4) 0.6075(6) 0.046(3) Uani 1 1 d . . .
H18A H 0.4969 0.6399 0.6436 0.055 Uiso 1 1 d R . .
H18B H 0.5319 0.5879 0.6118 0.055 Uiso 1 1 d R . .
O19 O 0.4714(9) 0.7396(3) 0.5625(5) 0.0211(19) Uani 1 1 d . . .
H19A H 0.5473 0.7598 0.5911 0.025 Uiso 1 1 d R . .
H19B H 0.3751 0.7482 0.5550 0.025 Uiso 1 1 d R . .
O20 O 1.5608(10) 0.8363(3) 0.5147(5) 0.029(2) Uani 1 1 d . . .
H20A H 1.4858 0.8339 0.4701 0.035 Uiso 1 1 d R . .
H20B H 1.6240 0.8095 0.5324 0.035 Uiso 1 1 d R . .
O21 O 1.3730(10) 0.9425(3) 0.4817(5) 0.0190(19) Uani 1 1 d . . .
H21A H 1.350(14) 0.973(5) 0.482(7) 0.023 Uiso 1 1 d . . .
H21B H 1.310(14) 0.918(5) 0.483(7) 0.023 Uiso 1 1 d . . .
O22 O 1.5895(10) 0.9907(3) 0.6428(5) 0.035(2) Uani 1 1 d . . .
H22A H 1.5191 1.0145 0.6199 0.042 Uiso 1 1 d R . .
H22B H 1.6587 0.9973 0.6881 0.042 Uiso 1 1 d R . .
O23 O 0.5077(11) 0.9003(4) 0.3100(6) 0.048(3) Uani 1 1 d . . .
H23A H 0.5894 0.8799 0.3199 0.057 Uiso 1 1 d R . .
H23B H 0.4885 0.9133 0.3494 0.057 Uiso 1 1 d R . .
O24 O 0.2502(14) 0.5554(4) 0.5718(7) 0.069(4) Uani 1 1 d . . .
H24A H 0.2254 0.5473 0.5230 0.082 Uiso 1 1 d R . .
H24B H 0.1804 0.5732 0.5842 0.082 Uiso 1 1 d R . .
O25 O 0.9827(13) 0.9112(5) 0.1108(7) 0.073(4) Uani 1 1 d . . .
H25A H 0.9066 0.8881 0.0987 0.088 Uiso 1 1 d R . .
H25B H 1.0658 0.9035 0.1505 0.088 Uiso 1 1 d R . .
O26 O 0.3387(14) 0.5489(5) 0.3263(7) 0.076(4) Uani 1 1 d . . .
H26A H 0.4146 0.5449 0.3084 0.092 Uiso 1 1 d R . .
H26B H 0.2699 0.5736 0.3040 0.092 Uiso 1 1 d R . .
O27 O 0.5413(17) 0.0138(5) 0.7814(8) 0.093(5) Uani 1 1 d . . .
H27A H 0.5906 0.0059 0.8299 0.112 Uiso 1 1 d R . .
H27B H 0.5189 0.0475 0.7707 0.112 Uiso 1 1 d R . .
O28 O 0.7577(17) 0.5057(5) 0.5586(9) 0.097(5) Uani 1 1 d . . .
H28A H 0.6699 0.4968 0.5640 0.117 Uiso 1 1 d R . .
H28B H 0.8247 0.4799 0.5632 0.117 Uiso 1 1 d R . .
O29 O 0.779(7) 0.980(2) 0.824(4) 0.095(16) Uani 0.25 1 d PU . .
O30 O 0.366(7) 0.026(2) 0.795(4) 0.103(17) Uani 0.25 1 d PU . .
O31 O 0.498(7) 0.584(2) 0.292(3) 0.097(16) Uani 0.25 1 d PU . .
O32 O 0.939(12) 0.472(4) 0.595(6) 0.07(2) Uani 0.13 1 d PU . .
O33 O 0.78(2) 0.593(7) 0.651(10) 0.17(3) Uani 0.13 1 d PU . .
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O6 Dy1 O10 127.9(2) . . ?
O6 Dy1 O11 77.8(3) . . ?
O10 Dy1 O11 89.1(3) . . ?
O6 Dy1 O5 87.2(2) . . ?
O10 Dy1 O5 76.1(3) . . ?
O11 Dy1 O5 145.8(2) . . ?
O6 Dy1 O1 76.0(2) . . ?
O10 Dy1 O1 150.1(3) . . ?
O11 Dy1 O1 78.3(3) . . ?
O5 Dy1 O1 127.8(3) . . ?
O6 Dy1 O15 146.6(3) . . ?
O10 Dy1 O15 78.6(2) . . ?
O11 Dy1 O15 127.8(3) . . ?
O5 Dy1 O15 79.8(2) . . ?
O1 Dy1 O15 87.9(2) . . ?
O6 Dy1 N3 135.4(3) . . ?
O10 Dy1 N3 76.1(3) . . ?
O11 Dy1 N3 64.2(3) . . ?
O5 Dy1 N3 137.4(3) . . ?
O1 Dy1 N3 74.1(3) . . ?
O15 Dy1 N3 63.5(3) . . ?
O6 Dy1 N1 75.8(3) . . ?
O10 Dy1 N1 133.0(3) . . ?
O11 Dy1 N1 137.9(3) . . ?
O5 Dy1 N1 64.2(3) . . ?
O1 Dy1 N1 63.9(3) . . ?
O15 Dy1 N1 70.9(3) . . ?
N3 Dy1 N1 117.7(3) . . ?
O6 Dy1 N2 63.5(3) . . ?
O10 Dy1 N2 64.4(3) . . ?
O11 Dy1 N2 74.2(3) . . ?
O5 Dy1 N2 71.6(3) . . ?
O1 Dy1 N2 134.7(3) . . ?
O15 Dy1 N2 137.4(3) . . ?
N3 Dy1 N2 122.1(3) . . ?
N1 Dy1 N2 120.1(3) . . ?
O22 Cd1 O13 87.4(3) . 4_676 ?
O22 Cd1 O20 171.9(3) . . ?
O13 Cd1 O20 100.7(3) 4_676 . ?
O22 Cd1 O4 92.2(3) . . ?
O13 Cd1 O4 99.1(3) 4_676 . ?
O20 Cd1 O4 86.0(3) . . ?
O22 Cd1 O7 90.9(3) . 1_655 ?
O13 Cd1 O7 92.9(3) 4_676 1_655 ?
O20 Cd1 O7 89.3(3) . 1_655 ?
O4 Cd1 O7 167.8(3) . 1_655 ?
O22 Cd1 O21 87.6(3) . . ?
O13 Cd1 O21 172.8(3) 4_676 . ?
O20 Cd1 O21 84.4(3) . . ?
O4 Cd1 O21 86.3(3) . . ?
O7 Cd1 O21 82.0(3) 1_655 . ?
O17 Co1 O18 89.7(4) . . ?
O17 Co1 O16 89.2(4) . . ?
O18 Co1 O16 178.8(3) . . ?
O17 Co1 O14 92.3(3) . 1_455 ?
O18 Co1 O14 96.3(3) . 1_455 ?
O16 Co1 O14 83.1(3) . 1_455 ?
O17 Co1 O2 98.1(3) . . ?
O18 Co1 O2 93.3(3) . . ?
O16 Co1 O2 87.4(3) . . ?
O14 Co1 O2 165.9(3) 1_455 . ?
O17 Co1 O19 174.9(4) . . ?
O18 Co1 O19 85.7(3) . . ?
O16 Co1 O19 95.3(3) . . ?
O14 Co1 O19 86.0(3) 1_455 . ?
O2 Co1 O19 84.4(3) . . ?
O2 C1 O1 125.0(11) . . ?
O2 C1 C2 119.2(10) . . ?
O1 C1 C2 115.8(9) . . ?
N1 C2 C3 123.7(10) . . ?
N1 C2 C1 113.5(9) . . ?
C3 C2 C1 122.8(10) . . ?
C2 C3 C4 119.1(10) . . ?
C2 C3 H3A 120.1 . . ?
C4 C3 H3A 120.8 . . ?
O3 C4 C5 118.6(11) . . ?
O3 C4 C3 123.3(10) . . ?
C5 C4 C3 118.1(11) . . ?
C6 C5 C4 118.6(11) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 121.1 . . ?
N1 C6 C5 123.4(10) . . ?
N1 C6 C7 113.1(10) . . ?
C5 C6 C7 123.4(10) . . ?
O4 C7 O5 125.5(10) . . ?
O4 C7 C6 118.5(11) . . ?
O5 C7 C6 116.0(10) . . ?
O7 C8 O6 125.4(11) . . ?
O7 C8 C9 120.2(10) . . ?
O6 C8 C9 114.4(10) . . ?
N2 C9 C10 124.9(11) . . ?
N2 C9 C8 113.3(9) . . ?
C10 C9 C8 121.8(10) . . ?
C9 C10 C11 116.0(10) . . ?
C9 C10 H10 121.7 . . ?
C11 C10 H10 122.3 . . ?
O8 C11 C12 121.5(11) . . ?
O8 C11 C10 117.5(10) . . ?
C12 C11 C10 121.0(10) . . ?
C11 C12 C13 116.1(11) . . ?
C11 C12 H12 122.3 . . ?
C13 C12 H12 121.6 . . ?
N2 C13 C12 124.7(11) . . ?
N2 C13 C14 112.9(9) . . ?
C12 C13 C14 122.4(10) . . ?
O9 C14 O10 124.5(10) . . ?
O9 C14 C13 119.5(9) . . ?
O10 C14 C13 115.9(9) . . ?
O12 C15 O11 125.5(10) . . ?
O12 C15 C16 121.5(11) . . ?
O11 C15 C16 113.0(11) . . ?
N3 C16 C17 124.7(9) . . ?
N3 C16 C15 114.0(9) . . ?
C17 C16 C15 121.2(10) . . ?
C18 C17 C16 118.2(11) . . ?
C18 C17 H17 121.1 . . ?
C16 C17 H17 120.7 . . ?
O13 C18 C17 121.2(11) . . ?
O13 C18 C19 120.7(10) . . ?
C17 C18 C19 118.0(10) . . ?
C20 C19 C18 118.6(10) . . ?
C20 C19 H19 121.1 . . ?
C18 C19 H19 120.2 . . ?
N3 C20 C19 124.4(11) . . ?
N3 C20 C21 113.2(9) . . ?
C19 C20 C21 122.4(10) . . ?
O14 C21 O15 123.2(12) . . ?
O14 C21 C20 120.1(10) . . ?
O15 C21 C20 116.6(10) . . ?
C2 N1 C6 117.1(10) . . ?
C2 N1 Dy1 121.0(7) . . ?
C6 N1 Dy1 121.0(7) . . ?
C9 N2 C13 117.3(10) . . ?
C9 N2 Dy1 121.4(7) . . ?
C13 N2 Dy1 121.2(7) . . ?
C16 N3 C20 116.0(9) . . ?
C16 N3 Dy1 121.6(6) . . ?
C20 N3 Dy1 122.5(7) . . ?
C1 O1 Dy1 124.4(7) . . ?
C1 O2 Co1 127.8(8) . . ?
C4 O3 H3 109.3 . . ?
C7 O4 Cd1 124.3(7) . . ?
C7 O5 Dy1 125.2(7) . . ?
C8 O6 Dy1 127.3(7) . . ?
C8 O7 Co2 120.5(7) . 1_455 ?
C8 O7 Cd1 120.5(7) . 1_455 ?
Co2 O7 Cd1 0.00(6) 1_455 1_455 ?
C11 O8 H8 109.7 . . ?
C14 O10 Dy1 125.3(7) . . ?
C15 O11 Dy1 126.6(7) . . ?
C18 O13 Co2 128.9(7) . 4_475 ?
C18 O13 Cd1 128.9(7) . 4_475 ?
Co2 O13 Cd1 0.00(6) 4_475 4_475 ?
C21 O14 Cd2 130.8(8) . 1_655 ?
C21 O14 Co1 130.8(8) . 1_655 ?
Cd2 O14 Co1 0.00(10) 1_655 1_655 ?
C21 O15 Dy1 124.2(8) . . ?
Co1 O16 H16A 117.2 . . ?
Co1 O16 H16B 110.4 . . ?
H16A O16 H16B 93.7 . . ?
Co1 O17 H17A 119.4 . . ?
Co1 O17 H17B 120.6 . . ?
H17A O17 H17B 120.0 . . ?
Co1 O18 H18A 120.1 . . ?
Co1 O18 H18B 119.9 . . ?
H18A O18 H18B 120.0 . . ?
Co1 O19 H19A 119.6 . . ?
Co1 O19 H19B 120.4 . . ?
H19A O19 H19B 120.0 . . ?
Cd1 O20 H20A 120.2 . . ?
Cd1 O20 H20B 119.8 . . ?
H20A O20 H20B 120.0 . . ?
Cd1 O21 H21A 117(9) . . ?
Cd1 O21 H21B 98(8) . . ?
H21A O21 H21B 121(10) . . ?
Cd1 O22 H22A 120.0 . . ?
Cd1 O22 H22B 120.0 . . ?
H22A O22 H22B 120.0 . . ?
H23A O23 H23B 117.1 . . ?
H24A O24 H24B 116.2 . . ?
H25A O25 H25B 116.6 . . ?
H26A O26 H26B 116.0 . . ?
O30 O27 H27A 93.6 . . ?
O30 O27 H27B 73.4 . . ?
H27A O27 H27B 116.4 . . ?
O32 O28 H28A 128.0 . . ?
O32 O28 H28B 23.1 . . ?
H28A O28 H28B 116.3 . . ?
O28 O32 H28B 19.6 . . ?
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 O6 2.383(7) . ?
Dy1 O10 2.385(7) . ?
Dy1 O11 2.405(7) . ?
Dy1 O5 2.410(8) . ?
Dy1 O1 2.421(7) . ?
Dy1 O15 2.435(7) . ?
Dy1 N3 2.477(8) . ?
Dy1 N1 2.480(9) . ?
Dy1 N2 2.489(9) . ?
Cd1 O22 2.182(8) . ?
Cd1 O13 2.199(8) 4_676 ?
Cd1 O20 2.213(8) . ?
Cd1 O4 2.279(8) . ?
Cd1 O7 2.283(8) 1_655 ?
Cd1 O21 2.300(9) . ?
Co1 O17 2.052(10) . ?
Co1 O18 2.116(10) . ?
Co1 O16 2.147(9) . ?
Co1 O14 2.199(8) 1_455 ?
Co1 O2 2.240(8) . ?
Co1 O19 2.242(8) . ?
C1 O2 1.253(12) . ?
C1 O1 1.273(13) . ?
C1 C2 1.503(15) . ?
C2 N1 1.340(13) . ?
C2 C3 1.371(15) . ?
C3 C4 1.398(16) . ?
C3 H3A 0.9299 . ?
C4 O3 1.334(14) . ?
C4 C5 1.391(14) . ?
C5 C6 1.389(15) . ?
C5 H5 0.9300 . ?
C6 N1 1.344(13) . ?
C6 C7 1.516(14) . ?
C7 O4 1.255(13) . ?
C7 O5 1.262(14) . ?
C8 O7 1.247(13) . ?
C8 O6 1.265(12) . ?
C8 C9 1.516(15) . ?
C9 N2 1.329(13) . ?
C9 C10 1.388(15) . ?
C10 C11 1.417(16) . ?
C10 H10 0.9298 . ?
C11 O8 1.362(12) . ?
C11 C12 1.393(15) . ?
C12 C13 1.394(15) . ?
C12 H12 0.9300 . ?
C13 N2 1.343(14) . ?
C13 C14 1.509(15) . ?
C14 O9 1.253(12) . ?
C14 O10 1.293(12) . ?
C15 O12 1.223(14) . ?
C15 O11 1.288(14) . ?
C15 C16 1.545(14) . ?
C16 N3 1.337(13) . ?
C16 C17 1.399(15) . ?
C17 C18 1.389(15) . ?
C17 H17 0.9301 . ?
C18 O13 1.334(13) . ?
C18 C19 1.409(16) . ?
C19 C20 1.380(15) . ?
C19 H19 0.9300 . ?
C20 N3 1.345(13) . ?
C20 C21 1.477(16) . ?
C21 O14 1.257(13) . ?
C21 O15 1.292(12) . ?
O3 H3 0.8201 . ?
O7 Co2 2.283(8) 1_455 ?
O7 Cd1 2.283(8) 1_455 ?
O8 H8 0.8200 . ?
O13 Co2 2.199(8) 4_475 ?
O13 Cd1 2.199(8) 4_475 ?
O14 Cd2 2.199(8) 1_655 ?
O14 Co1 2.199(8) 1_655 ?
O16 H16A 0.8344 . ?
O16 H16B 0.9132 . ?
O17 H17A 0.8501 . ?
O17 H17B 0.8499 . ?
O18 H18A 0.8500 . ?
O18 H18B 0.8502 . ?
O19 H19A 0.8502 . ?
O19 H19B 0.8500 . ?
O20 H20A 0.8499 . ?
O20 H20B 0.8500 . ?
O21 H21A 0.78(12) . ?
O21 H21B 0.84(12) . ?
O22 H22A 0.8499 . ?
O22 H22B 0.8500 . ?
O23 H23A 0.8498 . ?
O23 H23B 0.8509 . ?
O24 H24A 0.8537 . ?
O24 H24B 0.8534 . ?
O25 H25A 0.8522 . ?
O25 H25B 0.8519 . ?
O26 H26A 0.8552 . ?
O26 H26B 0.8535 . ?
O27 H27A 0.8526 . ?
O27 H27B 0.8534 . ?
O28 H28A 0.8532 . ?
O28 H28B 0.8534 . ?
