#------------------------------------------------------------------------------
#$Date: 2023-04-20 14:53:48 +0300 (Thu, 20 Apr 2023) $
#$Revision: 282777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/00/1520009.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_1520009
loop_
_publ_author_name
'Moreno Pineda, Eufemio'
'Chilton, Nicholas F.'
'Tuna, Floriana'
'Winpenny, Richard E. P.'
'McInnes, Eric J. L.'
_publ_section_title
;
 Systematic Study of a Family of Butterfly-Like {M ₂ Ln
 ₂ } Molecular Magnets (M = Mg II , Mn
 III , Co II , Ni II , and Cu
 II ; Ln = Y III , Gd III , Tb
 III , Dy III , Ho III , and Er
 III )
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5930
_journal_page_last               5941
_journal_paper_doi               10.1021/acs.inorgchem.5b00746
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C50 H92 Co2 Dy2 O22, 2(C6 H16 N), C2 N2'
_chemical_formula_sum            'C64 H124 Co2 Dy2 N4 O22'
_chemical_formula_weight         1744.52
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2015-02-16
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                103.070(3)
_cell_angle_beta                 98.378(3)
_cell_angle_gamma                109.653(3)
_cell_formula_units_Z            1
_cell_length_a                   11.3913(4)
_cell_length_b                   13.3809(5)
_cell_length_c                   15.4188(5)
_cell_measurement_reflns_used    9325
_cell_measurement_temperature    104.2(2)
_cell_measurement_theta_max      28.5870
_cell_measurement_theta_min      3.0930
_cell_volume                     2092.03(14)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      104.2(2)
_diffrn_detector_area_resol_mean 8.3367
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega -109.00    7.90   0.7000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      -21.2308  -37.0000   30.0000 167

  2 omega  -82.00  -47.00   0.7000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      -21.2308  179.0000  -90.0000 50

  3 omega   86.00  121.00   0.7000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6371  179.0000 -180.0000 50

  4 omega  -27.00   60.50   0.7000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6371  -77.0000  -90.0000 125

  5 omega  -68.00   51.00   0.7000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6371  -77.0000 -180.0000 170
;
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0104729000
_diffrn_orient_matrix_UB_12      -0.0470643000
_diffrn_orient_matrix_UB_13      -0.0369713000
_diffrn_orient_matrix_UB_21      -0.0112645000
_diffrn_orient_matrix_UB_22      -0.0340053000
_diffrn_orient_matrix_UB_23      0.0295778000
_diffrn_orient_matrix_UB_31      -0.0663819000
_diffrn_orient_matrix_UB_32      -0.0099780000
_diffrn_orient_matrix_UB_33      -0.0112635000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13979
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.909
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.219
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       irregular
_exptl_crystal_F_000             898
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.149
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         8551
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0315
_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)+(0.0288P)²+0.3830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0752
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7833
_reflns_number_total             8551
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            CoDy.cif
_cod_data_source_block           CoDy
_cod_original_cell_volume        2092.04(14)
_cod_database_code               1520009
_shelxl_version_number           2014/6
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C17B)=Sof(H17D)=Sof(H17E)=Sof(H17F)=Sof(C18B)=Sof(H18D)=Sof(H18E)=
 Sof(H18F)=Sof(C19B)=Sof(H19D)=Sof(H19E)=Sof(H19F)=1-FVAR(1)
 Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(H18C)=
 Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C25(H25), C28(H28)
3.b Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B)
3.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C7(H7A,H7B,H7C), C8(H8A,
 H8B,H8C), C9(H9A,H9B,H9C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,
 H14B,H14C), C17(H17A,H17B,H17C), C17B(H17D,H17E,H17F), C18(H18A,H18B,H18C),
 C18B(H18D,H18E,H18F), C19(H19A,H19B,H19C), C19B(H19D,H19E,H19F), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C)
;
_shelx_shelxl_version_number     2014/7
_olex2_date_sample_data_collection 2012-08-31
_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.03635(2) 0.42423(2) 0.30442(2) 0.01797(6) Uani 1 1 d . . . .
Co1 Co 0.03685(4) 0.62366(3) 0.49266(3) 0.01595(9) Uani 1 1 d . . . .
O1 O 0.1079(2) 0.2501(2) 0.05451(18) 0.0402(7) Uani 1 1 d . . . .
O1OH O 0.0953(2) 0.49059(18) 0.46240(16) 0.0177(5) Uani 1 1 d . . . .
H1OH H 0.154(4) 0.509(4) 0.479(3) 0.053(17) Uiso 1 1 d . . . .
O2 O 0.0973(2) 0.28905(18) 0.34395(16) 0.0258(5) Uani 1 1 d . . . .
O3 O -0.0774(3) 0.4978(2) 0.20595(17) 0.0393(6) Uani 1 1 d . . . .
O4 O -0.07505(19) 0.54792(17) 0.35151(15) 0.0217(5) Uani 1 1 d . . . .
O5 O 0.1966(2) 0.59749(18) 0.33063(16) 0.0282(5) Uani 1 1 d . . . .
O6 O 0.10631(19) 0.36947(18) 0.17955(15) 0.0250(5) Uani 1 1 d . . . .
O8 O 0.0418(2) 0.26105(17) 0.47273(15) 0.0234(5) Uani 1 1 d . . . .
O9 O 0.18118(19) 0.72143(17) 0.44873(15) 0.0205(5) Uani 1 1 d . . . .
O10 O 0.14295(19) 0.67507(17) 0.63516(15) 0.0226(5) Uani 1 1 d . . . .
O11 O -0.1663(2) 0.26250(19) 0.21745(15) 0.0276(5) Uani 1 1 d . . . .
C1 C 0.1648(3) 0.3279(3) 0.1266(2) 0.0267(7) Uani 1 1 d . . . .
C2 C 0.3131(3) 0.3811(3) 0.1522(2) 0.0287(8) Uani 1 1 d . . . .
C3 C 0.3682(4) 0.3043(4) 0.1036(5) 0.094(3) Uani 1 1 d . . . .
H3A H 0.3503 0.2408 0.1260 0.141 Uiso 1 1 calc GR . . .
H3B H 0.4595 0.3423 0.1147 0.141 Uiso 1 1 calc GR . . .
H3C H 0.3303 0.2806 0.0389 0.141 Uiso 1 1 calc GR . . .
C4 C 0.3627(4) 0.4145(5) 0.2553(3) 0.0784(19) Uani 1 1 d . . . .
H4A H 0.3342 0.4707 0.2840 0.118 Uiso 1 1 calc GR . . .
H4B H 0.4548 0.4431 0.2706 0.118 Uiso 1 1 calc GR . . .
H4C H 0.3303 0.3508 0.2767 0.118 Uiso 1 1 calc GR . . .
C5 C 0.3490(4) 0.4861(4) 0.1219(3) 0.0521(12) Uani 1 1 d . . . .
H5A H 0.3182 0.4665 0.0566 0.078 Uiso 1 1 calc GR . . .
H5B H 0.4407 0.5241 0.1384 0.078 Uiso 1 1 calc GR . . .
H5C H 0.3108 0.5339 0.1517 0.078 Uiso 1 1 calc GR . . .
C6 C -0.1716(3) 0.6316(3) 0.2531(2) 0.0273(7) Uani 1 1 d . . . .
C7 C -0.2354(4) 0.5997(4) 0.1525(3) 0.0523(12) Uani 1 1 d . . . .
H7A H -0.2787 0.6482 0.1430 0.078 Uiso 1 1 calc GR . . .
H7B H -0.2966 0.5244 0.1331 0.078 Uiso 1 1 calc GR . . .
H7C H -0.1716 0.6063 0.1175 0.078 Uiso 1 1 calc GR . . .
C8 C -0.0687(4) 0.7508(3) 0.2869(3) 0.0476(11) Uani 1 1 d . . . .
H8A H -0.0054 0.7566 0.2514 0.071 Uiso 1 1 calc GR . . .
H8B H -0.0282 0.7678 0.3504 0.071 Uiso 1 1 calc GR . . .
H8C H -0.1085 0.8023 0.2798 0.071 Uiso 1 1 calc GR . . .
C9 C -0.2714(4) 0.6245(4) 0.3099(3) 0.0454(10) Uani 1 1 d . . . .
H9A H -0.3152 0.6720 0.2987 0.068 Uiso 1 1 calc GR . . .
H9B H -0.2295 0.6478 0.3739 0.068 Uiso 1 1 calc GR . . .
H9C H -0.3323 0.5493 0.2930 0.068 Uiso 1 1 calc GR . . .
C10 C 0.2287(3) 0.6952(3) 0.3824(2) 0.0192(6) Uani 1 1 d . . . .
C11 C 0.3340(3) 0.7884(3) 0.3629(2) 0.0206(7) Uani 1 1 d . . . .
C12 C 0.4614(3) 0.7775(3) 0.3943(3) 0.0451(11) Uani 1 1 d . . . .
H12A H 0.4764 0.7833 0.4584 0.068 Uiso 1 1 calc GR . . .
H12B H 0.5298 0.8356 0.3840 0.068 Uiso 1 1 calc GR . . .
H12C H 0.4580 0.7067 0.3600 0.068 Uiso 1 1 calc GR . . .
C13 C 0.3399(4) 0.9021(3) 0.4148(3) 0.0443(10) Uani 1 1 d . . . .
H13A H 0.2576 0.9064 0.3980 0.066 Uiso 1 1 calc GR . . .
H13B H 0.4036 0.9588 0.3993 0.066 Uiso 1 1 calc GR . . .
H13C H 0.3621 0.9126 0.4796 0.066 Uiso 1 1 calc GR . . .
C14 C 0.3052(4) 0.7773(3) 0.2611(2) 0.0391(9) Uani 1 1 d . . . .
H14A H 0.3060 0.7080 0.2271 0.059 Uiso 1 1 calc GR . . .
H14B H 0.3694 0.8374 0.2495 0.059 Uiso 1 1 calc GR . . .
H14C H 0.2222 0.7794 0.2424 0.059 Uiso 1 1 calc GR . . .
C15 C 0.0880(3) 0.2390(3) 0.4050(2) 0.0217(7) Uani 1 1 d . . . .
C16 C 0.1372(3) 0.1440(3) 0.3942(2) 0.0262(7) Uani 1 1 d . . . .
C17 C 0.0880(8) 0.0711(6) 0.2918(5) 0.047(2) Uani 0.564(7) 1 d . P A 1
H17A H -0.0042 0.0418 0.2751 0.071 Uiso 0.564(7) 1 calc GR P A 1
H17B H 0.1173 0.0109 0.2840 0.071 Uiso 0.564(7) 1 calc GR P A 1
H17C H 0.1208 0.1157 0.2533 0.071 Uiso 0.564(7) 1 calc GR P A 1
C17B C 0.0295(8) 0.0397(6) 0.3436(7) 0.033(2) Uani 0.436(7) 1 d . P A 2
H17D H -0.0386 0.0299 0.3749 0.050 Uiso 0.436(7) 1 calc GR P A 2
H17E H 0.0574 -0.0210 0.3399 0.050 Uiso 0.436(7) 1 calc GR P A 2
H17F H -0.0008 0.0418 0.2829 0.050 Uiso 0.436(7) 1 calc GR P A 2
C18 C 0.0804(8) 0.0700(6) 0.4528(6) 0.048(2) Uani 0.564(7) 1 d . P A 1
H18A H 0.1155 0.1108 0.5166 0.073 Uiso 0.564(7) 1 calc GR P A 1
H18B H 0.1016 0.0054 0.4398 0.073 Uiso 0.564(7) 1 calc GR P A 1
H18C H -0.0112 0.0476 0.4386 0.073 Uiso 0.564(7) 1 calc GR P A 1
C18B C 0.1959(10) 0.1388(8) 0.4902(6) 0.043(3) Uani 0.436(7) 1 d . P A 2
H18D H 0.2632 0.2092 0.5239 0.065 Uiso 0.436(7) 1 calc GR P A 2
H18E H 0.2303 0.0819 0.4825 0.065 Uiso 0.436(7) 1 calc GR P A 2
H18F H 0.1302 0.1221 0.5234 0.065 Uiso 0.436(7) 1 calc GR P A 2
C19 C 0.2794(7) 0.1956(6) 0.4219(7) 0.044(2) Uani 0.564(7) 1 d . P A 1
H19A H 0.3098 0.2457 0.3870 0.066 Uiso 0.564(7) 1 calc GR P A 1
H19B H 0.3136 0.1387 0.4106 0.066 Uiso 0.564(7) 1 calc GR P A 1
H19C H 0.3067 0.2357 0.4861 0.066 Uiso 0.564(7) 1 calc GR P A 1
C19B C 0.2501(9) 0.1657(8) 0.3451(9) 0.045(3) Uani 0.436(7) 1 d . P A 2
H19D H 0.2179 0.1600 0.2823 0.068 Uiso 0.436(7) 1 calc GR P A 2
H19E H 0.2876 0.1116 0.3472 0.068 Uiso 0.436(7) 1 calc GR P A 2
H19F H 0.3140 0.2388 0.3755 0.068 Uiso 0.436(7) 1 calc GR P A 2
C20 C -0.2081(3) 0.2553(3) 0.2886(2) 0.0204(7) Uani 1 1 d . . . .
C21 C -0.3336(3) 0.1622(3) 0.2842(2) 0.0261(7) Uani 1 1 d . . . .
C22 C -0.4143(3) 0.1041(3) 0.1851(3) 0.0424(10) Uani 1 1 d . . . .
H22A H -0.4342 0.1573 0.1596 0.064 Uiso 1 1 calc GR . . .
H22B H -0.4926 0.0466 0.1847 0.064 Uiso 1 1 calc GR . . .
H22C H -0.3667 0.0721 0.1491 0.064 Uiso 1 1 calc GR . . .
C23 C -0.2973(3) 0.0789(3) 0.3246(3) 0.0377(9) Uani 1 1 d . . . .
H23A H -0.2491 0.0485 0.2880 0.057 Uiso 1 1 calc GR . . .
H23B H -0.3740 0.0201 0.3248 0.057 Uiso 1 1 calc GR . . .
H23C H -0.2461 0.1160 0.3863 0.057 Uiso 1 1 calc GR . . .
C24 C -0.4098(3) 0.2117(3) 0.3429(3) 0.0414(10) Uani 1 1 d . . . .
H24A H -0.3584 0.2485 0.4046 0.062 Uiso 1 1 calc GR . . .
H24B H -0.4869 0.1534 0.3431 0.062 Uiso 1 1 calc GR . . .
H24C H -0.4317 0.2643 0.3177 0.062 Uiso 1 1 calc GR . . .
C40 C -0.1043(3) 0.5547(3) 0.2706(2) 0.0243(7) Uani 1 1 d . . . .
N1 N -0.1492(2) 0.1951(2) 0.03226(19) 0.0245(6) Uani 1 1 d . . . .
H1A H -0.1598 0.2166 0.0886 0.029 Uiso 1 1 calc R . . .
H1B H -0.0651 0.2190 0.0364 0.029 Uiso 1 1 calc R . . .
C25 C -0.2034(3) 0.0694(3) 0.0000(3) 0.0321(8) Uani 1 1 d . . . .
H25 H -0.2967 0.0417 -0.0073 0.039 Uiso 1 1 calc R . . .
C26 C -0.1744(4) 0.0286(3) -0.0910(3) 0.0473(11) Uani 1 1 d . . . .
H26A H -0.2224 0.0462 -0.1377 0.071 Uiso 1 1 calc GR . . .
H26B H -0.1982 -0.0504 -0.1066 0.071 Uiso 1 1 calc GR . . .
H26C H -0.0842 0.0641 -0.0865 0.071 Uiso 1 1 calc GR . . .
C27 C -0.1440(4) 0.0298(3) 0.0732(3) 0.0443(10) Uani 1 1 d . . . .
H27A H -0.0529 0.0548 0.0794 0.066 Uiso 1 1 calc GR . . .
H27B H -0.1807 -0.0499 0.0559 0.066 Uiso 1 1 calc GR . . .
H27C H -0.1610 0.0593 0.1307 0.066 Uiso 1 1 calc GR . . .
C28 C -0.2051(3) 0.2522(3) -0.0258(2) 0.0315(8) Uani 1 1 d . . . .
H28 H -0.2266 0.2084 -0.0903 0.038 Uiso 1 1 calc R . . .
C29 C -0.3273(4) 0.2574(4) -0.0014(3) 0.0535(12) Uani 1 1 d . . . .
H29A H -0.3845 0.1842 -0.0050 0.080 Uiso 1 1 calc GR . . .
H29B H -0.3679 0.2857 -0.0436 0.080 Uiso 1 1 calc GR . . .
H29C H -0.3071 0.3055 0.0598 0.080 Uiso 1 1 calc GR . . .
C30 C -0.1074(4) 0.3657(3) -0.0143(3) 0.0376(9) Uani 1 1 d . . . .
H30A H -0.0856 0.4101 0.0484 0.056 Uiso 1 1 calc GR . . .
H30B H -0.1424 0.4005 -0.0534 0.056 Uiso 1 1 calc GR . . .
H30C H -0.0316 0.3590 -0.0306 0.056 Uiso 1 1 calc GR . . .
N2 N -0.3764(6) 0.4828(8) 0.4895(6) 0.124(3) Uani 1 1 d . . . .
C31 C -0.4490(6) 0.4917(6) 0.4954(5) 0.073(2) Uani 1 1 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'
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
Co1 Dy1 Co1 54.712(12) . 2_566
O1OH Dy1 Co1 35.63(6) . .
O1OH Dy1 Co1 34.97(6) . 2_566
O1OH Dy1 O2 77.94(8) . .
O1OH Dy1 O3 124.28(8) . .
O1OH Dy1 O4 72.37(7) . .
O1OH Dy1 O5 77.54(8) . .
O1OH Dy1 O10 71.50(8) . 2_566
O1OH Dy1 O11 123.14(8) . .
O1OH Dy1 C20 97.15(9) . .
O1OH Dy1 C40 98.39(9) . .
O2 Dy1 Co1 113.12(6) . .
O2 Dy1 Co1 66.23(6) . 2_566
O2 Dy1 O3 155.40(8) . .
O2 Dy1 O4 142.24(8) . .
O2 Dy1 O5 117.39(8) . .
O2 Dy1 O10 77.12(7) . 2_566
O2 Dy1 O11 83.18(8) . .
O2 Dy1 C20 78.50(8) . .
O2 Dy1 C40 163.01(9) . .
O3 Dy1 Co1 88.68(6) . .
O3 Dy1 Co1 124.53(6) . 2_566
O3 Dy1 O4 53.17(8) . .
O3 Dy1 O10 98.81(8) . 2_566
O3 Dy1 O11 75.61(8) . .
O3 Dy1 C20 87.49(9) . .
O3 Dy1 C40 26.34(9) . .
O4 Dy1 Co1 38.41(5) . .
O4 Dy1 Co1 76.08(5) . 2_566
O4 Dy1 O10 71.74(7) . 2_566
O4 Dy1 O11 93.84(7) . .
O4 Dy1 C20 82.55(8) . .
O4 Dy1 C40 26.87(8) . .
O5 Dy1 Co1 112.21(6) . 2_566
O5 Dy1 Co1 66.65(6) . .
O5 Dy1 O3 80.85(9) . .
O5 Dy1 O4 78.47(7) . .
O5 Dy1 O10 142.07(7) . 2_566
O5 Dy1 O11 154.98(8) . .
O5 Dy1 C20 161.01(8) . .
O5 Dy1 C40 77.30(8) . .
O6 Dy1 Co1 147.09(6) . 2_566
O6 Dy1 Co1 152.68(6) . .
O6 Dy1 O1OH 143.57(8) . .
O6 Dy1 O2 81.19(8) . .
O6 Dy1 O3 83.96(8) . .
O6 Dy1 O4 136.02(8) . .
O6 Dy1 O5 86.19(8) . .
O6 Dy1 O10 131.68(7) . 2_566
O6 Dy1 O11 83.04(7) . .
O6 Dy1 C20 107.54(8) . .
O6 Dy1 C40 109.61(9) . .
O10 Dy1 Co1 75.42(5) 2_566 .
O10 Dy1 Co1 38.21(5) 2_566 2_566
O10 Dy1 O11 52.05(7) 2_566 .
O10 Dy1 C20 25.91(8) 2_566 .
O10 Dy1 C40 85.97(8) 2_566 .
O11 Dy1 Co1 88.43(5) . 2_566
O11 Dy1 Co1 120.51(5) . .
O11 Dy1 C20 26.15(8) . .
O11 Dy1 C40 85.15(8) . .
C20 Dy1 Co1 98.34(6) . .
C20 Dy1 Co1 62.85(6) . 2_566
C40 Dy1 Co1 101.20(7) . 2_566
C40 Dy1 Co1 63.10(7) . .
C40 Dy1 C20 85.59(9) . .
Dy1 Co1 Dy1 125.287(12) . 2_566
O1OH Co1 Dy1 39.49(6) 2_566 2_566
O1OH Co1 Dy1 93.13(7) . 2_566
O1OH Co1 Dy1 93.97(6) 2_566 .
O1OH Co1 Dy1 40.12(7) . .
O1OH Co1 O1OH 79.55(10) 2_566 .
O1OH Co1 O4 82.69(9) . .
O1OH Co1 O4 91.91(9) 2_566 .
O1OH Co1 O10 90.62(9) . .
O1OH Co1 O10 81.96(9) 2_566 .
O4 Co1 Dy1 130.62(6) . 2_566
O4 Co1 Dy1 44.58(6) . .
O4 Co1 O10 171.67(8) . .
O8 Co1 Dy1 141.07(6) 2_566 .
O8 Co1 Dy1 80.91(6) 2_566 2_566
O8 Co1 O1OH 92.29(9) 2_566 2_566
O8 Co1 O1OH 171.80(9) 2_566 .
O8 Co1 O4 96.87(8) 2_566 .
O8 Co1 O10 89.04(9) 2_566 .
O9 Co1 Dy1 81.14(6) . .
O9 Co1 Dy1 140.13(6) . 2_566
O9 Co1 O1OH 171.74(9) . 2_566
O9 Co1 O1OH 92.49(9) . .
O9 Co1 O4 89.25(8) . .
O9 Co1 O8 95.70(9) . 2_566
O9 Co1 O10 96.02(8) . .
O10 Co1 Dy1 44.50(6) . 2_566
O10 Co1 Dy1 129.88(6) . .
Co1 O1OH Dy1 104.25(10) . .
Co1 O1OH Dy1 105.54(10) 2_566 .
Co1 O1OH Co1 100.44(10) 2_566 .
C15 O2 Dy1 138.4(2) . .
C40 O3 Dy1 94.3(2) . .
Co1 O4 Dy1 97.01(8) . .
C40 O4 Dy1 92.74(19) . .
C40 O4 Co1 149.9(2) . .
C10 O5 Dy1 137.4(2) . .
C1 O6 Dy1 161.8(2) . .
C15 O8 Co1 129.2(2) . 2_566
C10 O9 Co1 129.30(19) . .
Co1 O10 Dy1 97.29(7) . 2_566
C20 O10 Dy1 95.16(18) 2_566 2_566
C20 O10 Co1 154.7(2) 2_566 .
C20 O11 Dy1 93.59(18) . .
O1 C1 O6 123.1(3) . .
O1 C1 C2 119.5(3) . .
O6 C1 C2 117.4(3) . .
C3 C2 C1 111.0(3) . .
C3 C2 C4 111.6(4) . .
C3 C2 C5 109.9(4) . .
C4 C2 C1 109.8(3) . .
C4 C2 C5 108.3(4) . .
C5 C2 C1 106.1(3) . .
C7 C6 C8 111.5(3) . .
C7 C6 C9 110.1(3) . .
C7 C6 C40 110.7(3) . .
C9 C6 C8 108.6(3) . .
C40 C6 C8 107.1(3) . .
C40 C6 C9 108.8(3) . .
O5 C10 C11 117.2(3) . .
O9 C10 O5 125.0(3) . .
O9 C10 C11 117.8(3) . .
C12 C11 C10 107.4(3) . .
C13 C11 C10 110.9(3) . .
C13 C11 C12 109.9(3) . .
C14 C11 C10 109.7(2) . .
C14 C11 C12 111.2(3) . .
C14 C11 C13 107.9(3) . .
O2 C15 C16 116.8(3) . .
O8 C15 O2 125.1(3) . .
O8 C15 C16 118.1(3) . .
C15 C16 C17 108.4(4) . .
C15 C16 C18B 110.3(4) . .
C15 C16 C19B 110.9(4) . .
C17B C16 C15 108.5(4) . .
C17B C16 C18B 110.5(6) . .
C17B C16 C19B 111.7(6) . .
C18 C16 C15 109.5(4) . .
C18 C16 C17 107.7(5) . .
C18B C16 C19B 105.0(6) . .
C19 C16 C15 107.2(4) . .
C19 C16 C17 111.4(5) . .
C19 C16 C18 112.6(5) . .
O10 C20 Dy1 58.93(15) 2_566 .
O10 C20 O11 119.2(3) 2_566 .
O10 C20 C21 119.4(3) 2_566 .
O11 C20 Dy1 60.26(15) . .
O11 C20 C21 121.4(3) . .
C21 C20 Dy1 176.2(2) . .
C20 C21 C22 111.5(3) . .
C20 C21 C23 107.0(3) . .
C20 C21 C24 108.7(3) . .
C22 C21 C24 110.0(3) . .
C23 C21 C22 109.9(3) . .
C23 C21 C24 109.7(3) . .
O3 C40 Dy1 59.40(17) . .
O3 C40 O4 119.6(3) . .
O3 C40 C6 120.4(3) . .
O4 C40 Dy1 60.39(16) . .
O4 C40 C6 120.0(3) . .
C6 C40 Dy1 176.1(2) . .
C28 N1 C25 116.9(3) . .
N1 C25 C27 107.9(3) . .
C26 C25 N1 110.2(3) . .
C26 C25 C27 111.3(3) . .
N1 C28 C29 110.0(3) . .
C30 C28 N1 109.9(3) . .
C30 C28 C29 112.0(3) . .
N2 C31 C31 177.9(14) . 2_466
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Co1 3.4680(4) .
Dy1 Co1 3.4933(4) 2_566
Dy1 O1OH 2.306(2) .
Dy1 O2 2.312(2) .
Dy1 O3 2.432(2) .
Dy1 O4 2.453(2) .
Dy1 O5 2.320(2) .
Dy1 O6 2.254(2) .
Dy1 O10 2.469(2) 2_566
Dy1 O11 2.497(2) .
Dy1 C20 2.870(3) .
Dy1 C40 2.818(3) .
Co1 Dy1 3.4933(4) 2_566
Co1 O1OH 2.078(2) 2_566
Co1 O1OH 2.084(2) .
Co1 O4 2.171(2) .
Co1 O8 2.041(2) 2_566
Co1 O9 2.038(2) .
Co1 O10 2.178(2) .
O1 C1 1.246(4) .
O1OH Co1 2.078(2) 2_566
O2 C15 1.269(4) .
O3 C40 1.254(4) .
O4 C40 1.275(4) .
O5 C10 1.266(4) .
O6 C1 1.274(4) .
O8 Co1 2.041(2) 2_566
O8 C15 1.257(4) .
O9 C10 1.260(4) .
O10 Dy1 2.469(2) 2_566
O10 C20 1.259(4) 2_566
O11 C20 1.268(4) .
C1 C2 1.544(4) .
C2 C3 1.495(5) .
C2 C4 1.515(6) .
C2 C5 1.524(5) .
C6 C7 1.510(5) .
C6 C8 1.542(5) .
C6 C9 1.525(5) .
C6 C40 1.521(4) .
C10 C11 1.534(4) .
C11 C12 1.526(4) .
C11 C13 1.525(5) .
C11 C14 1.518(4) .
C15 C16 1.539(4) .
C16 C17 1.561(8) .
C16 C17B 1.462(8) .
C16 C18 1.535(8) .
C16 C18B 1.560(9) .
C16 C19 1.481(8) .
C16 C19B 1.563(10) .
C20 O10 1.259(4) 2_566
C20 C21 1.528(4) .
C21 C22 1.535(5) .
C21 C23 1.533(5) .
C21 C24 1.535(5) .
N1 C25 1.513(4) .
N1 C28 1.505(4) .
C25 C26 1.512(5) .
C25 C27 1.517(5) .
C28 C29 1.513(5) .
C28 C30 1.503(5) .
N2 C31 0.888(8) .
C31 C31 1.276(13) 2_466
