#------------------------------------------------------------------------------
#$Date: 2019-11-23 15:34:54 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/93/4349319.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_4349319
loop_
_publ_author_name
'Novitchi, Ghénadie'
'Shova, Sergiu'
'Lan, Yanhua'
'Wernsdorfer, Wolfgang'
'Train, Cyrille'
_publ_section_title
;
 Verdazyl Radical, a Building Block for a Six-Spin-Center 2p-3d-4f
 Single-Molecule Magnet.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12122
_journal_page_last               12125
_journal_paper_doi               10.1021/acs.inorgchem.6b02380
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C18 H23 Co Dy N5 O10'
_chemical_formula_sum            'C18 H23 Co Dy N5 O10'
_chemical_formula_weight         690.84
_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   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-09-26
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_cell_angle_alpha                108.594(11)
_cell_angle_beta                 94.039(9)
_cell_angle_gamma                117.126(15)
_cell_formula_units_Z            2
_cell_length_a                   10.2001(13)
_cell_length_b                   10.6945(18)
_cell_length_c                   13.1719(12)
_cell_measurement_reflns_used    1254
_cell_measurement_temperature    173.05(10)
_cell_measurement_theta_max      23.8820
_cell_measurement_theta_min      1.6780
_cell_volume                     1171.7(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      173.05(10)
_diffrn_detector_area_resol_mean 16.1593
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -6.00   83.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       19.5127   76.0000  -33.0000 89

#__ type_ start__ end____ width___ exp.time_
  2 omega  -46.00   49.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       19.5127  -76.0000 -159.0000 95

#__ type_ start__ end____ width___ exp.time_
  3 omega   -4.00   55.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.0127   38.0000   90.0000 59

#__ type_ start__ end____ width___ exp.time_
  4 omega  -25.00   18.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.0127  -99.0000   90.0000 43

#__ type_ start__ end____ width___ exp.time_
  5 omega   35.00   93.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       19.5127  178.0000  150.0000 58

#__ type_ start__ end____ width___ exp.time_
  6 omega   55.00   87.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       19.5127   57.0000  120.0000 32
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0047345000
_diffrn_orient_matrix_UB_12      0.0702472000
_diffrn_orient_matrix_UB_13      0.0056294000
_diffrn_orient_matrix_UB_21      -0.0269310000
_diffrn_orient_matrix_UB_22      0.0033742000
_diffrn_orient_matrix_UB_23      0.0484512000
_diffrn_orient_matrix_UB_31      0.0760571000
_diffrn_orient_matrix_UB_32      0.0404475000
_diffrn_orient_matrix_UB_33      0.0327845000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0996
_diffrn_reflns_av_unetI/netI     0.2228
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7829
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.687
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.935
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             678
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.615
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         4132
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.927
_refine_ls_R_factor_all          0.1307
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1198
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2448
_reflns_number_total             4132
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b02380_si_002.cif
_cod_data_source_block           exp_2633
_cod_original_cell_volume        1171.7(3)
_cod_database_code               4349319
_chemical_oxdiff_formula         'C15 H20 N3 O4 Co1 Dy1'
_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.
;
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
3.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C3(H3A,H3B,H3C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C),
 C16(H16A,H16B,H16C), C18(H18A,H18B,H18C)
;
_shelx_shelxl_version_number     2014/7
_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
Dy1 Dy 0.87330(8) 0.42834(8) 0.59569(4) 0.0244(2) Uani 1 1 d . .
Co1 Co 0.6680(2) 0.3541(2) 0.78634(11) 0.0229(5) Uani 1 1 d . .
O1 O 0.1103(11) -0.0002(10) 0.8612(6) 0.043(3) Uani 1 1 d . .
O2 O 0.8783(9) 0.4862(9) 0.7774(5) 0.023(2) Uani 1 1 d . .
O3 O 0.6550(10) 0.1473(9) 0.7540(6) 0.030(2) Uani 1 1 d . .
O4 O 0.6702(9) 0.2080(9) 0.6105(5) 0.027(2) Uani 1 1 d . .
O5 O 0.5385(10) 0.4189(10) 0.7205(6) 0.033(2) Uani 1 1 d . .
O6 O 0.6845(10) 0.4973(10) 0.6099(6) 0.030(2) Uani 1 1 d . .
O7 O 1.0316(10) 0.7490(10) 0.4238(6) 0.034(2) Uani 1 1 d . .
O8 O 0.9562(9) 0.6173(9) 0.5277(5) 0.027(2) Uani 1 1 d . .
O9 O 1.1262(10) 0.6026(10) 0.6925(6) 0.033(2) Uani 1 1 d . .
O10 O 1.2676(10) 0.7121(9) 0.5895(5) 0.027(2) Uani 1 1 d . .
N1 N 0.7653(12) 0.4939(11) 0.9487(7) 0.022(3) Uani 1 1 d . .
N2 N 0.4846(13) 0.2744(11) 0.8752(7) 0.025(3) Uani 1 1 d . .
N3 N 0.3360(12) 0.1589(11) 0.8334(7) 0.027(3) Uani 1 1 d . .
N4 N 0.3054(13) 0.1927(12) 1.0100(7) 0.032(3) Uani 1 1 d . .
N5 N 0.4502(13) 0.3141(12) 1.0568(7) 0.030(3) Uani 1 1 d . .
C1 C 0.2816(15) 0.0813(14) 0.7134(8) 0.033(4) Uani 1 1 d . .
H1A H 0.3070 0.1557 0.6813 0.050 Uiso 1 1 calc GR .
H1B H 0.1731 0.0150 0.6931 0.050 Uiso 1 1 calc GR .
H1C H 0.3290 0.0219 0.6867 0.050 Uiso 1 1 calc GR .
C2 C 0.2396(17) 0.1106(15) 0.8992(10) 0.034(4) Uani 1 1 d . .
C3 C 0.2180(16) 0.1502(16) 1.0896(9) 0.053(5) Uani 1 1 d . .
H3A H 0.2739 0.1329 1.1400 0.079 Uiso 1 1 calc GR .
H3B H 0.1216 0.0586 1.0503 0.079 Uiso 1 1 calc GR .
H3C H 0.2014 0.2315 1.1304 0.079 Uiso 1 1 calc GR .
C4 C 0.5297(14) 0.3486(13) 0.9837(8) 0.016(3) Uani 1 1 d . .
C5 C 0.6864(15) 0.4731(14) 1.0279(8) 0.022(3) Uani 1 1 d . .
C6 C 0.7584(16) 0.5721(14) 1.1403(9) 0.029(3) Uani 1 1 d . .
H6 H 0.7054 0.5621 1.1946 0.035 Uiso 1 1 calc R .
C7 C 0.9114(17) 0.6855(14) 1.1678(9) 0.031(4) Uani 1 1 d . .
H7 H 0.9609 0.7512 1.2415 0.037 Uiso 1 1 calc R .
C8 C 0.9909(15) 0.7019(13) 1.0870(8) 0.024(3) Uani 1 1 d . .
H8 H 1.0932 0.7764 1.1053 0.029 Uiso 1 1 calc R .
C9 C 0.9113(15) 0.6023(13) 0.9775(8) 0.021(3) Uani 1 1 d . U
C10 C 0.9827(15) 0.6096(13) 0.8800(8) 0.027(3) Uani 1 1 d . .
H10A H 1.0116 0.7066 0.8745 0.032 Uiso 1 1 calc R .
H10B H 1.0742 0.6038 0.8929 0.032 Uiso 1 1 calc R .
C11 C 0.6617(14) 0.1158(14) 0.6561(9) 0.023(3) Uani 1 1 d . .
C12 C 0.6570(15) -0.0276(13) 0.5900(8) 0.035(4) Uani 1 1 d . .
H12A H 0.7074 -0.0535 0.6371 0.053 Uiso 1 1 calc GR .
H12B H 0.7076 -0.0138 0.5324 0.053 Uiso 1 1 calc GR .
H12C H 0.5529 -0.1085 0.5576 0.053 Uiso 1 1 calc GR .
C13 C 0.5811(15) 0.4863(14) 0.6575(9) 0.024(3) Uani 1 1 d . .
C14 C 0.4977(15) 0.5674(15) 0.6394(9) 0.041(4) Uani 1 1 d . .
H14A H 0.5704 0.6693 0.6482 0.062 Uiso 1 1 calc GR .
H14B H 0.4386 0.5718 0.6926 0.062 Uiso 1 1 calc GR .
H14C H 0.4314 0.5122 0.5659 0.062 Uiso 1 1 calc GR .
C15 C 0.9594(15) 0.7208(14) 0.4938(9) 0.022(3) Uani 1 1 d . U
C16 C 0.8782(16) 0.7991(14) 0.5377(10) 0.040(4) Uani 1 1 d . .
H16A H 0.9154 0.8905 0.5236 0.060 Uiso 1 1 calc GR .
H16B H 0.8944 0.8253 0.6161 0.060 Uiso 1 1 calc GR .
H16C H 0.7713 0.7331 0.5024 0.060 Uiso 1 1 calc GR .
C17 C 1.2449(15) 0.7036(15) 0.6799(9) 0.026(3) Uani 1 1 d . .
C18 C 1.3712(15) 0.8241(13) 0.7886(8) 0.035(4) Uani 1 1 d . .
H18A H 1.3410 0.8941 0.8294 0.052 Uiso 1 1 calc GR .
H18B H 1.4647 0.8793 0.7707 0.052 Uiso 1 1 calc GR .
H18C H 1.3857 0.7731 0.8328 0.052 Uiso 1 1 calc GR .
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
O2 Dy1 Dy1 140.7(2) . 2_766
O2 Dy1 O4 72.4(3) . .
O2 Dy1 O6 78.6(3) . .
O2 Dy1 O7 96.6(3) . 2_766
O2 Dy1 O8 120.4(3) . .
O2 Dy1 O8 136.1(3) . 2_766
O2 Dy1 O9 74.0(3) . .
O2 Dy1 O10 148.6(3) . 2_766
O2 Dy1 C15 117.2(3) . 2_766
O4 Dy1 Dy1 144.55(18) . 2_766
O4 Dy1 O7 74.9(3) . 2_766
O4 Dy1 O8 117.2(3) . 2_766
O4 Dy1 C15 95.4(3) . 2_766
O6 Dy1 Dy1 113.90(18) . 2_766
O6 Dy1 O4 79.2(3) . .
O6 Dy1 O7 153.9(3) . 2_766
O6 Dy1 O8 143.6(2) . 2_766
O6 Dy1 C15 161.2(3) . 2_766
O7 Dy1 Dy1 86.25(18) 2_766 2_766
O7 Dy1 O8 52.0(2) 2_766 2_766
O7 Dy1 C15 25.2(3) 2_766 2_766
O8 Dy1 Dy1 39.2(2) . 2_766
O8 Dy1 Dy1 34.62(17) 2_766 2_766
O8 Dy1 O4 150.3(3) . .
O8 Dy1 O6 77.8(3) . .
O8 Dy1 O7 125.1(3) . 2_766
O8 Dy1 O8 73.9(3) . 2_766
O8 Dy1 O9 73.6(3) . .
O8 Dy1 O10 78.9(3) . 2_766
O8 Dy1 C15 100.4(3) . 2_766
O8 Dy1 C15 26.8(3) 2_766 2_766
O9 Dy1 Dy1 67.83(18) . 2_766
O9 Dy1 O4 135.2(3) . .
O9 Dy1 O6 121.5(3) . .
O9 Dy1 O7 80.6(3) . 2_766
O9 Dy1 O8 71.4(3) . 2_766
O9 Dy1 O10 137.4(3) . 2_766
O9 Dy1 C15 74.8(3) . 2_766
O10 Dy1 Dy1 70.2(2) 2_766 2_766
O10 Dy1 O4 79.7(3) 2_766 .
O10 Dy1 O6 82.5(3) 2_766 .
O10 Dy1 O7 89.6(3) 2_766 2_766
O10 Dy1 O8 70.0(3) 2_766 2_766
O10 Dy1 C15 78.9(3) 2_766 2_766
C15 Dy1 Dy1 61.2(2) 2_766 2_766
O2 Co1 O3 103.2(3) . .
O2 Co1 O4 78.2(3) . .
O2 Co1 O5 105.0(3) . .
O2 Co1 N1 80.5(4) . .
O2 Co1 N2 154.5(3) . .
O3 Co1 O4 58.8(3) . .
O3 Co1 N2 85.5(3) . .
O5 Co1 O3 133.6(3) . .
O5 Co1 O4 92.2(3) . .
O5 Co1 N1 109.3(4) . .
O5 Co1 N2 84.4(3) . .
N1 Co1 O3 111.1(3) . .
N1 Co1 O4 153.0(4) . .
N1 Co1 N2 74.0(4) . .
N2 Co1 O4 125.7(3) . .
Co1 O2 Dy1 107.4(3) . .
C10 O2 Dy1 135.2(7) . .
C10 O2 Co1 115.9(7) . .
C11 O3 Co1 98.4(7) . .
Co1 O4 Dy1 92.5(3) . .
C11 O4 Dy1 135.4(8) . .
C11 O4 Co1 83.3(6) . .
C13 O5 Co1 120.7(8) . .
C13 O6 Dy1 140.8(8) . .
C15 O7 Dy1 97.9(7) . 2_766
Dy1 O8 Dy1 106.1(3) . 2_766
C15 O8 Dy1 91.1(7) . 2_766
C15 O8 Dy1 160.6(8) . .
C17 O9 Dy1 138.5(7) . .
C17 O10 Dy1 135.0(8) . 2_766
C5 N1 Co1 121.4(9) . .
C9 N1 Co1 117.9(7) . .
C9 N1 C5 120.6(10) . .
N3 N2 Co1 129.6(6) . .
C4 N2 Co1 114.5(8) . .
C4 N2 N3 115.9(10) . .
N2 N3 C1 116.7(9) . .
N2 N3 C2 123.4(9) . .
C2 N3 C1 119.9(11) . .
N5 N4 C3 114.8(9) . .
C2 N4 N5 125.7(10) . .
C2 N4 C3 119.5(12) . .
C4 N5 N4 114.2(9) . .
N3 C1 H1A 109.5 . .
N3 C1 H1B 109.5 . .
N3 C1 H1C 109.5 . .
H1A C1 H1B 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 N3 122.9(12) . .
O1 C2 N4 123.3(12) . .
N4 C2 N3 113.7(12) . .
N4 C3 H3A 109.5 . .
N4 C3 H3B 109.5 . .
N4 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
N2 C4 N5 126.9(12) . .
N2 C4 C5 115.9(10) . .
N5 C4 C5 117.1(10) . .
N1 C5 C4 114.0(9) . .
N1 C5 C6 119.8(12) . .
C6 C5 C4 126.1(11) . .
C5 C6 H6 120.9 . .
C7 C6 C5 118.1(11) . .
C7 C6 H6 120.9 . .
C6 C7 H7 119.4 . .
C8 C7 C6 121.3(11) . .
C8 C7 H7 119.4 . .
C7 C8 H8 121.4 . .
C7 C8 C9 117.3(13) . .
C9 C8 H8 121.4 . .
N1 C9 C8 122.8(11) . .
N1 C9 C10 114.1(9) . .
C8 C9 C10 123.1(12) . .
O2 C10 C9 111.3(10) . .
O2 C10 H10A 109.4 . .
O2 C10 H10B 109.4 . .
C9 C10 H10A 109.4 . .
C9 C10 H10B 109.4 . .
H10A C10 H10B 108.0 . .
O3 C11 O4 119.5(12) . .
O3 C11 C12 121.3(11) . .
O4 C11 C12 119.2(10) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O5 C13 O6 127.9(12) . .
O5 C13 C14 115.2(12) . .
O6 C13 C14 116.9(10) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O7 C15 Dy1 56.9(7) . 2_766
O7 C15 O8 119.0(12) . .
O7 C15 C16 121.6(11) . .
O8 C15 Dy1 62.1(6) . 2_766
O8 C15 C16 119.4(11) . .
C16 C15 Dy1 178.4(10) . 2_766
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O9 C17 C18 115.0(10) . .
O10 C17 O9 125.9(12) . .
O10 C17 C18 119.1(12) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy1 3.8929(13) 2_766
Dy1 O2 2.263(7) .
Dy1 O4 2.404(8) .
Dy1 O6 2.355(9) .
Dy1 O7 2.452(8) 2_766
Dy1 O8 2.564(8) 2_766
Dy1 O8 2.302(7) .
Dy1 O9 2.321(9) .
Dy1 O10 2.339(7) 2_766
Dy1 C15 2.900(13) 2_766
Co1 O2 1.998(8) .
Co1 O3 2.052(8) .
Co1 O4 2.354(7) .
Co1 O5 2.008(8) .
Co1 N1 2.026(9) .
Co1 N2 2.256(10) .
O1 C2 1.224(15) .
O2 C10 1.442(12) .
O3 C11 1.239(12) .
O4 C11 1.284(12) .
O5 C13 1.243(12) .
O6 C13 1.244(14) .
O7 Dy1 2.451(8) 2_766
O7 C15 1.247(13) .
O8 Dy1 2.564(8) 2_766
O8 C15 1.308(12) .
O9 C17 1.269(14) .
O10 Dy1 2.339(7) 2_766
O10 C17 1.252(12) .
N1 C5 1.373(14) .
N1 C9 1.331(15) .
N2 N3 1.367(13) .
N2 C4 1.317(12) .
N3 C1 1.454(11) .
N3 C2 1.388(16) .
N4 N5 1.364(13) .
N4 C2 1.363(14) .
N4 C3 1.472(14) .
N5 C4 1.336(14) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 C5 1.449(16) .
C5 C6 1.411(14) .
C6 H6 0.9300 .
C6 C7 1.397(17) .
C7 H7 0.9300 .
C7 C8 1.390(16) .
C8 H8 0.9300 .
C8 C9 1.393(13) .
C9 C10 1.526(15) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.479(15) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.519(16) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 Dy1 2.900(13) 2_766
C15 C16 1.454(17) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.556(15) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
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_4
Dy1 O2 C10 C9 169.4(7) . .
Dy1 O4 C11 O3 88.0(15) . .
Dy1 O4 C11 C12 -93.3(13) . .
Dy1 O6 C13 O5 -3(2) . .
Dy1 O6 C13 C14 175.8(8) . .
Dy1 O7 C15 O8 -1.2(12) 2_766 .
Dy1 O7 C15 C16 179.3(11) 2_766 .
Dy1 O8 C15 Dy1 -153(2) . 2_766
Dy1 O8 C15 O7 1.1(11) 2_766 .
Dy1 O8 C15 O7 -151.8(16) . .
Dy1 O8 C15 C16 -179.4(11) 2_766 .
Dy1 O8 C15 C16 28(3) . .
Dy1 O9 C17 O10 -20(2) . .
Dy1 O9 C17 C18 160.5(8) . .
Dy1 O10 C17 O9 1(2) 2_766 .
Dy1 O10 C17 C18 -179.5(8) 2_766 .
Co1 O2 C10 C9 5.5(12) . .
Co1 O3 C11 O4 -1.4(13) . .
Co1 O3 C11 C12 179.9(10) . .
Co1 O4 C11 O3 1.2(11) . .
Co1 O4 C11 C12 179.9(11) . .
Co1 O5 C13 O6 14.9(19) . .
Co1 O5 C13 C14 -163.6(8) . .
Co1 N1 C5 C4 -2.4(13) . .
Co1 N1 C5 C6 179.5(8) . .
Co1 N1 C9 C8 -178.1(8) . .
Co1 N1 C9 C10 2.9(13) . .
Co1 N2 N3 C1 -5.2(15) . .
Co1 N2 N3 C2 172.4(9) . .
Co1 N2 C4 N5 -171.9(10) . .
Co1 N2 C4 C5 2.7(13) . .
N1 C5 C6 C7 -2.6(17) . .
N1 C9 C10 O2 -5.4(15) . .
N2 N3 C2 O1 -174.4(12) . .
N2 N3 C2 N4 2.1(18) . .
N2 C4 C5 N1 -0.5(15) . .
N2 C4 C5 C6 177.5(11) . .
N3 N2 C4 N5 6.5(18) . .
N3 N2 C4 C5 -178.9(10) . .
N4 N5 C4 N2 -3.2(18) . .
N4 N5 C4 C5 -177.8(10) . .
N5 N4 C2 O1 178.0(13) . .
N5 N4 C2 N3 1.5(19) . .
N5 C4 C5 N1 174.7(10) . .
N5 C4 C5 C6 -7.3(17) . .
C1 N3 C2 O1 3(2) . .
C1 N3 C2 N4 179.6(11) . .
C2 N4 N5 C4 -1.1(18) . .
C3 N4 N5 C4 178.1(11) . .
C3 N4 C2 O1 -1(2) . .
C3 N4 C2 N3 -177.7(11) . .
C4 N2 N3 C1 176.6(10) . .
C4 N2 N3 C2 -5.8(17) . .
C4 C5 C6 C7 179.6(11) . .
C5 N1 C9 C8 -1.6(17) . .
C5 N1 C9 C10 179.5(10) . .
C5 C6 C7 C8 0.6(18) . .
C6 C7 C8 C9 0.9(18) . .
C7 C8 C9 N1 -0.4(17) . .
C7 C8 C9 C10 178.4(11) . .
C8 C9 C10 O2 175.7(10) . .
C9 N1 C5 C4 -178.8(10) . .
C9 N1 C5 C6 3.1(17) . .
