# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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#######################################################################

data_Co8Tb2
_database_code_depnum_ccdc_archive 'CCDC 1576521'
_audit_update_record             
;
2018-06-21 deposited with the CCDC.
2018-06-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            Co8Tb2
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H100 Cl4 Co8 N8 O34 Tb2'
_chemical_formula_weight         2168.35

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'
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'
Cl Cl 0.1484 0.1585 '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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.5752(12)
_cell_length_b                   13.2401(13)
_cell_length_c                   14.6104(14)
_cell_angle_alpha                71.846(4)
_cell_angle_beta                 67.999(4)
_cell_angle_gamma                65.542(4)
_cell_volume                     1857.0(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9960
_cell_measurement_theta_min      2.86
_cell_measurement_theta_max      28.27

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            PINK
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.939
_exptl_crystal_F_000             1082
_exptl_transmission_factor_min   0.525
_exptl_transmission_factor_max   0.584
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    3.844
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS (Sheldrick,1996)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49120
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.931
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             6482
_reflns_number_gt                5656
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+55.0752P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6482
_refine_ls_number_parameters     433
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0672
_refine_ls_wR_factor_ref         0.1514
_refine_ls_wR_factor_gt          0.1380
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5839(14) 1.3436(10) 0.2200(10) 0.053(3) Uani 1 1 d . . . . .
H1A H 0.5165 1.4107 0.1976 0.064 Uiso 1 1 d R U . . .
H1B H 0.6680 1.3567 0.1922 0.064 Uiso 1 1 d R U . . .
C2 C 0.5484(13) 1.3162(10) 0.3331(9) 0.050(3) Uani 1 1 d . . . . .
H2A H 0.5629 1.3691 0.3573 0.060 Uiso 1 1 d R U . . .
H2B H 0.4553 1.3244 0.3601 0.060 Uiso 1 1 d R U . . .
C3 C 0.4557(14) 1.2503(12) 0.1988(12) 0.062(4) Uani 1 1 d . . . . .
H3A H 0.3910 1.2989 0.2460 0.074 Uiso 1 1 d R U . . .
H3B H 0.4368 1.2818 0.1344 0.074 Uiso 1 1 d R U . . .
C4 C 0.4473(12) 1.1336(9) 0.2361(8) 0.043(3) Uani 1 1 d . . . . .
H4A H 0.3555 1.1377 0.2592 0.051 Uiso 1 1 d R U . . .
H4B H 0.4935 1.0908 0.1821 0.051 Uiso 1 1 d R U . . .
C5 C 0.8718(10) 0.9346(10) 0.3469(9) 0.044(3) Uani 1 1 d . . . . .
H5A H 0.9089 0.8844 0.2992 0.052 Uiso 1 1 d R U . . .
H5B H 0.9012 0.8930 0.4064 0.052 Uiso 1 1 d R U . . .
C6 C 0.9180(11) 1.0347(10) 0.3013(10) 0.050(3) Uani 1 1 d . . . . .
H6A H 0.9006 1.0740 0.3537 0.060 Uiso 1 1 d R U . . .
H6B H 1.0126 1.0093 0.2695 0.060 Uiso 1 1 d R U . . .
C7 C 0.8532(13) 0.9981(11) 0.1186(10) 0.057(4) Uani 1 1 d . . . . .
H7A H 0.8474 1.0115 0.0511 0.069 Uiso 1 1 d R U . . .
H7B H 0.9131 0.9219 0.1328 0.069 Uiso 1 1 d R U . . .
C8 C 0.9081(12) 1.0821(11) 0.1247(9) 0.050(3) Uani 1 1 d . . . . .
H8A H 1.0035 1.0488 0.1114 0.059 Uiso 1 1 d R U . . .
H8B H 0.8884 1.1495 0.0742 0.059 Uiso 1 1 d R U . . .
C9 C 0.2053(13) 1.2911(10) 0.5018(11) 0.055(3) Uani 1 1 d . . . . .
H10 H 0.1517 1.3643 0.4826 0.065 Uiso 1 1 d R U . . .
C10 C 0.2812(9) 0.9494(9) 0.3750(8) 0.035(2) Uani 1 1 d . . . . .
H11 H 0.2144 0.9341 0.3670 0.041 Uiso 1 1 d R U . . .
C11 C 0.247(2) 0.6415(18) 0.3604(13) 0.096(7) Uani 1 1 d . . . . .
H13A H 0.1635 0.7012 0.3628 0.115 Uiso 1 1 d R U . . .
H13B H 0.2363 0.5812 0.4164 0.115 Uiso 1 1 d R U . . .
H13C H 0.2795 0.6139 0.2989 0.115 Uiso 1 1 d R U . . .
C12 C 0.9505(12) 0.6725(11) 0.2092(11) 0.056(3) Uani 1 1 d . . . . .
H14A H 0.9685 0.6701 0.2697 0.067 Uiso 1 1 d R U . . .
H14B H 1.0191 0.6931 0.1523 0.067 Uiso 1 1 d R U . . .
C13 C 0.961(2) 0.5619(18) 0.2038(18) 0.109(7) Uani 1 1 d . U . . .
H15A H 1.0165 0.5419 0.1390 0.130 Uiso 1 1 d R U . . .
H15B H 1.0019 0.5080 0.2545 0.130 Uiso 1 1 d R U . . .
C14 C 0.6375(13) 0.5895(12) 0.3758(10) 0.057(4) Uani 1 1 d . . . . .
H16A H 0.5768 0.5565 0.3757 0.068 Uiso 1 1 d R U . . .
H16B H 0.6252 0.5907 0.4449 0.068 Uiso 1 1 d R U . . .
C15 C 0.782(2) 0.5223(17) 0.3368(15) 0.096(6) Uani 1 1 d . U . . .
H17A H 0.8372 0.5227 0.3725 0.115 Uiso 1 1 d R U . . .
H17B H 0.7842 0.4452 0.3490 0.115 Uiso 1 1 d R U . . .
C16 C 0.6053(12) 0.6643(11) 0.0648(9) 0.049(3) Uani 1 1 d . . . . .
H18A H 0.5454 0.7370 0.0418 0.059 Uiso 1 1 d R U . . .
H18B H 0.5826 0.6059 0.0559 0.059 Uiso 1 1 d R U . . .
C17 C 0.7464(12) 0.6545(11) 0.0037(9) 0.050(3) Uani 1 1 d . . . . .
H19A H 0.8025 0.5758 0.0100 0.059 Uiso 1 1 d R U . . .
H19B H 0.7505 0.6844 -0.0667 0.059 Uiso 1 1 d R U . . .
C18 C 0.6210(12) 0.9049(9) 0.0617(9) 0.044(3) Uani 1 1 d . . . . .
H20A H 0.6115 0.9832 0.0535 0.053 Uiso 1 1 d R U . . .
H20B H 0.5554 0.9028 0.0367 0.053 Uiso 1 1 d R U . . .
C19 C 0.7583(12) 0.8420(10) 0.0026(8) 0.048(3) Uani 1 1 d . . . . .
H21A H 0.7620 0.8580 -0.0677 0.058 Uiso 1 1 d R U . . .
H21B H 0.8220 0.8683 0.0078 0.058 Uiso 1 1 d R U . . .
C20 C 0.6963(18) 0.3923(16) 0.9279(14) 0.088(5) Uani 1 1 d . . . . .
H23A H 0.6061 0.4284 0.9257 0.106 Uiso 1 1 d R U . . .
H23B H 0.7545 0.3990 0.8609 0.106 Uiso 1 1 d R U . . .
H23C H 0.7131 0.4278 0.9674 0.106 Uiso 1 1 d R U . . .
Cl1 Cl 0.2908(3) 0.8666(3) 0.1572(3) 0.0577(8) Uani 1 1 d . . . . .
Cl2 Cl 0.0782(4) 0.6525(4) 0.8864(4) 0.1011(19) Uani 1 1 d . . . . .
Co4 Co 0.67094(13) 1.10789(11) 0.27706(10) 0.0308(3) Uani 1 1 d . . . . .
Co1 Co 0.37655(13) 1.05961(11) 0.46752(10) 0.0291(3) Uani 1 1 d . . . . .
Co3 Co 0.71447(14) 0.70183(12) 0.18403(11) 0.0339(3) Uani 1 1 d . . . . .
Co2 Co 0.44764(14) 0.77453(12) 0.25004(11) 0.0367(3) Uani 1 1 d . . . . .
N1 N 0.5930(10) 1.2442(7) 0.1881(7) 0.043(2) Uani 1 1 d . . . . .
H1 H 0.6439 1.2428 0.1233 0.051 Uiso 1 1 d R U . . .
N2 N 0.8485(9) 1.1126(8) 0.2260(7) 0.041(2) Uani 1 1 d . . . . .
H2 H 0.8455 1.1839 0.2208 0.049 Uiso 1 1 d R U . . .
N3 N 0.8295(10) 0.5534(8) 0.2275(7) 0.043(2) Uani 1 1 d . U . . .
H3 H 0.8309 0.5016 0.1978 0.052 Uiso 1 1 d R U . . .
N4 N 0.7941(9) 0.7191(8) 0.0403(7) 0.042(2) Uani 1 1 d . . . . .
H4 H 0.8837 0.6881 0.0272 0.050 Uiso 1 1 d R U . . .
O1 O 0.5063(6) 1.0789(5) 0.3167(5) 0.0299(14) Uani 1 1 d . . . . .
O2 O 0.6234(7) 1.2070(6) 0.3669(5) 0.0377(17) Uani 1 1 d . . . . .
O3 O 0.7308(7) 0.9737(6) 0.3728(5) 0.0360(17) Uani 1 1 d . . . . .
O4 O 0.7271(7) 1.0085(6) 0.1875(5) 0.0352(16) Uani 1 1 d . . . . .
O5 O 0.4869(6) 1.1003(6) 0.5238(5) 0.0284(14) Uani 1 1 d . . . . .
O6 O 0.2463(7) 1.0205(6) 0.4274(6) 0.0419(18) Uani 1 1 d . . . . .
O7 O 0.7739(9) 0.7293(7) 0.4178(7) 0.052(2) Uani 1 1 d . . . . .
O9 O 0.3387(8) 0.6831(8) 0.3650(6) 0.054(2) Uani 1 1 d . . . . .
H9A H 0.3509 0.6685 0.4222 0.065 Uiso 1 1 d R U . . .
O10 O 0.8262(7) 0.7580(6) 0.2048(6) 0.0379(17) Uani 1 1 d . . . . .
O11 O 0.6085(7) 0.7006(6) 0.3211(5) 0.0354(16) Uani 1 1 d . . . . .
O12 O 0.5908(7) 0.6530(6) 0.1684(6) 0.0403(18) Uani 1 1 d . . . . .
O13 O 0.5996(7) 0.8536(6) 0.1659(5) 0.0338(16) Uani 1 1 d . . . . .
O14 O 0.3978(7) 0.8963(6) 0.3316(5) 0.0408(18) Uani 1 1 d . . . . .
O15 O 0.7186(15) 0.2793(11) 0.9703(8) 0.102(5) Uani 1 1 d . . . . .
H15 H 0.7299 0.2446 0.9283 0.123 Uiso 1 1 d R U . . .
O17 O 0.2483(8) 1.2249(7) 0.4398(7) 0.050(2) Uani 1 1 d . . . . .
O2W O 0.9784(14) 0.7826(16) 0.6348(19) 0.189(11) Uani 1 1 d . . . . .
H2WA H 0.9531 0.7423 0.6911 0.283 Uiso 1 1 d R U . . .
H2WB H 1.0262 0.7418 0.5903 0.283 Uiso 1 1 d R U . . .
Tb1 Tb 0.63920(5) 0.87441(4) 0.31452(4) 0.03147(16) Uani 1 1 d . . . . .
O1W O 0.2487(10) 0.7459(9) 0.5370(7) 0.065(3) Uani 1 1 d . . . . .
H1WA H 0.2847 0.7120 0.5844 0.097 Uiso 1 1 d R U . . .
H1WC H 0.2476 0.8138 0.5196 0.097 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 N1 1.481(14) . ?
C1 C2 1.507(17) . ?
C2 O2 1.388(14) . ?
C3 C4 1.502(17) . ?
C3 N1 1.507(16) . ?
C4 O1 1.428(13) . ?
C5 O3 1.427(12) . ?
C5 C6 1.502(15) . ?
C6 N2 1.480(17) . ?
C7 O4 1.408(12) . ?
C7 C8 1.528(15) . ?
C8 N2 1.485(13) . ?
C9 O7 1.213(16) 2_676 ?
C9 O17 1.277(15) . ?
C10 O6 1.240(12) . ?
C10 O14 1.252(12) . ?
C11 O9 1.410(16) . ?
C12 O10 1.425(15) . ?
C12 C13 1.44(2) . ?
C13 N3 1.47(2) . ?
C14 O11 1.405(16) . ?
C14 C15 1.51(2) . ?
C15 N3 1.46(2) . ?
C16 O12 1.424(14) . ?
C16 C17 1.513(16) . ?
C17 N4 1.490(13) . ?
C18 O13 1.433(13) . ?
C18 C19 1.513(16) . ?
C19 N4 1.476(15) . ?
C20 O15 1.38(2) . ?
Cl1 Co2 2.367(4) . ?
Co4 O4 1.896(6) . ?
Co4 O2 1.919(7) . ?
Co4 N2 1.927(9) . ?
Co4 O3 1.937(8) . ?
Co4 O1 1.938(7) . ?
Co4 N1 1.957(10) . ?
Co4 Tb1 3.1186(13) . ?
Co1 O5 2.051(7) 2_676 ?
Co1 O5 2.056(6) . ?
Co1 O17 2.089(8) . ?
Co1 O6 2.094(7) . ?
Co1 O1 2.160(6) . ?
Co1 O3 2.195(7) 2_676 ?
Co1 Co1 2.987(3) 2_676 ?
Co1 Tb1 3.4790(14) 2_676 ?
Co3 O10 1.884(7) . ?
Co3 O13 1.897(7) . ?
Co3 O12 1.904(7) . ?
Co3 O11 1.916(7) . ?
Co3 N3 1.931(10) . ?
Co3 N4 1.932(9) . ?
Co3 Co2 2.698(2) . ?
Co3 Tb1 3.0719(13) . ?
Co2 O14 2.065(7) . ?
Co2 O12 2.066(7) . ?
Co2 O9 2.071(8) . ?
Co2 O13 2.192(7) . ?
Co2 O11 2.192(8) . ?
O1 Tb1 2.503(7) . ?
O3 Co1 2.195(7) 2_676 ?
O3 Tb1 2.472(7) . ?
O4 Tb1 2.379(7) . ?
O5 Co1 2.051(7) 2_676 ?
O5 Tb1 2.308(6) 2_676 ?
O7 C9 1.213(16) 2_676 ?
O7 Tb1 2.424(9) . ?
O10 Tb1 2.410(6) . ?
O11 Tb1 2.439(6) . ?
O13 Tb1 2.495(7) . ?
O14 Tb1 2.609(8) . ?
Tb1 O5 2.308(6) 2_676 ?
Tb1 Co1 3.4790(14) 2_676 ?

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
N1 C1 C2 106.0(9) . . ?
O2 C2 C1 111.3(9) . . ?
C4 C3 N1 109.0(11) . . ?
O1 C4 C3 108.9(10) . . ?
O3 C5 C6 108.7(9) . . ?
N2 C6 C5 110.2(10) . . ?
O4 C7 C8 111.2(8) . . ?
N2 C8 C7 110.2(8) . . ?
O7 C9 O17 128.2(12) 2_676 . ?
O6 C10 O14 126.3(9) . . ?
O10 C12 C13 114.5(13) . . ?
C12 C13 N3 111.5(16) . . ?
O11 C14 C15 110.5(11) . . ?
N3 C15 C14 111.3(15) . . ?
O12 C16 C17 110.0(10) . . ?
N4 C17 C16 109.3(8) . . ?
O13 C18 C19 109.7(9) . . ?
N4 C19 C18 111.3(9) . . ?
O4 Co4 O2 177.1(3) . . ?
O4 Co4 N2 86.6(3) . . ?
O2 Co4 N2 90.6(3) . . ?
O4 Co4 O3 86.1(3) . . ?
O2 Co4 O3 93.0(3) . . ?
N2 Co4 O3 88.5(4) . . ?
O4 Co4 O1 83.1(3) . . ?
O2 Co4 O1 99.6(3) . . ?
N2 Co4 O1 169.3(3) . . ?
O3 Co4 O1 88.1(3) . . ?
O4 Co4 N1 95.6(4) . . ?
O2 Co4 N1 85.6(4) . . ?
N2 Co4 N1 96.9(4) . . ?
O3 Co4 N1 174.5(3) . . ?
O1 Co4 N1 86.9(3) . . ?
O4 Co4 Tb1 49.6(2) . . ?
O2 Co4 Tb1 131.5(2) . . ?
N2 Co4 Tb1 117.1(3) . . ?
O3 Co4 Tb1 52.4(2) . . ?
O1 Co4 Tb1 53.34(19) . . ?
N1 Co4 Tb1 125.3(3) . . ?
O5 Co1 O5 86.7(3) 2_676 . ?
O5 Co1 O17 173.0(3) 2_676 . ?
O5 Co1 O17 95.1(3) . . ?
O5 Co1 O6 95.8(3) 2_676 . ?
O5 Co1 O6 172.9(3) . . ?
O17 Co1 O6 83.3(3) . . ?
O5 Co1 O1 81.7(2) 2_676 . ?
O5 Co1 O1 92.4(2) . . ?
O17 Co1 O1 91.4(3) . . ?
O6 Co1 O1 94.6(3) . . ?
O5 Co1 O3 92.1(3) 2_676 2_676 ?
O5 Co1 O3 82.4(2) . 2_676 ?
O17 Co1 O3 94.8(3) . 2_676 ?
O6 Co1 O3 90.8(3) . 2_676 ?
O1 Co1 O3 172.2(3) . 2_676 ?
O5 Co1 Co1 43.41(18) 2_676 2_676 ?
O5 Co1 Co1 43.28(19) . 2_676 ?
O17 Co1 Co1 138.0(2) . 2_676 ?
O6 Co1 Co1 138.8(2) . 2_676 ?
O1 Co1 Co1 85.97(19) . 2_676 ?
O3 Co1 Co1 86.3(2) 2_676 2_676 ?
O5 Co1 Tb1 99.61(18) 2_676 2_676 ?
O5 Co1 Tb1 39.71(17) . 2_676 ?
O17 Co1 Tb1 86.0(2) . 2_676 ?
O6 Co1 Tb1 133.2(2) . 2_676 ?
O1 Co1 Tb1 131.19(18) . 2_676 ?
O3 Co1 Tb1 44.93(17) 2_676 2_676 ?
Co1 Co1 Tb1 65.49(5) 2_676 2_676 ?
O10 Co3 O13 86.6(3) . . ?
O10 Co3 O12 175.8(3) . . ?
O13 Co3 O12 90.1(3) . . ?
O10 Co3 O11 91.3(3) . . ?
O13 Co3 O11 83.1(3) . . ?
O12 Co3 O11 85.7(3) . . ?
O10 Co3 N3 86.3(4) . . ?
O13 Co3 N3 168.4(4) . . ?
O12 Co3 N3 96.5(4) . . ?
O11 Co3 N3 87.9(4) . . ?
O10 Co3 N4 93.9(3) . . ?
O13 Co3 N4 89.2(4) . . ?
O12 Co3 N4 88.7(3) . . ?
O11 Co3 N4 170.4(4) . . ?
N3 Co3 N4 100.5(4) . . ?
O10 Co3 Co2 126.0(2) . . ?
O13 Co3 Co2 53.6(2) . . ?
O12 Co3 Co2 49.8(2) . . ?
O11 Co3 Co2 53.5(2) . . ?
N3 Co3 Co2 125.2(3) . . ?
N4 Co3 Co2 117.1(3) . . ?
O10 Co3 Tb1 51.7(2) . . ?
O13 Co3 Tb1 54.2(2) . . ?
O12 Co3 Tb1 124.2(2) . . ?
O11 Co3 Tb1 52.5(2) . . ?
N3 Co3 Tb1 114.3(3) . . ?
N4 Co3 Tb1 126.2(3) . . ?
Co2 Co3 Tb1 74.63(4) . . ?
O14 Co2 O12 149.6(3) . . ?
O14 Co2 O9 94.1(3) . . ?
O12 Co2 O9 102.4(3) . . ?
O14 Co2 O13 77.8(3) . . ?
O12 Co2 O13 78.3(3) . . ?
O9 Co2 O13 160.6(3) . . ?
O14 Co2 O11 79.5(3) . . ?
O12 Co2 O11 75.1(3) . . ?
O9 Co2 O11 90.8(3) . . ?
O13 Co2 O11 70.5(3) . . ?
O14 Co2 Cl1 100.1(3) . . ?
O12 Co2 Cl1 103.1(2) . . ?
O9 Co2 Cl1 96.4(3) . . ?
O13 Co2 Cl1 102.4(2) . . ?
O11 Co2 Cl1 172.8(2) . . ?
O14 Co2 Co3 105.0(2) . . ?
O12 Co2 Co3 44.7(2) . . ?
O9 Co2 Co3 124.1(3) . . ?
O13 Co2 Co3 44.14(19) . . ?
O11 Co2 Co3 44.66(17) . . ?
Cl1 Co2 Co3 129.49(11) . . ?
C1 N1 C3 109.1(10) . . ?
C1 N1 Co4 108.5(8) . . ?
C3 N1 Co4 108.5(7) . . ?
C6 N2 C8 114.5(10) . . ?
C6 N2 Co4 106.2(6) . . ?
C8 N2 Co4 108.4(7) . . ?
C15 N3 C13 107.4(14) . . ?
C15 N3 Co3 108.9(9) . . ?
C13 N3 Co3 107.0(10) . . ?
C19 N4 C17 117.6(10) . . ?
C19 N4 Co3 105.5(6) . . ?
C17 N4 Co3 106.4(6) . . ?
C4 O1 Co4 107.8(6) . . ?
C4 O1 Co1 117.9(6) . . ?
Co4 O1 Co1 126.1(3) . . ?
C4 O1 Tb1 113.6(6) . . ?
Co4 O1 Tb1 88.3(2) . . ?
Co1 O1 Tb1 97.8(2) . . ?
C2 O2 Co4 111.8(7) . . ?
C5 O3 Co4 109.3(6) . . ?
C5 O3 Co1 117.3(7) . 2_676 ?
Co4 O3 Co1 125.1(3) . 2_676 ?
C5 O3 Tb1 114.6(6) . . ?
Co4 O3 Tb1 89.2(3) . . ?
Co1 O3 Tb1 96.2(2) 2_676 . ?
C7 O4 Co4 114.9(6) . . ?
C7 O4 Tb1 132.2(7) . . ?
Co4 O4 Tb1 93.0(3) . . ?
Co1 O5 Co1 93.3(3) 2_676 . ?
Co1 O5 Tb1 107.6(3) 2_676 2_676 ?
Co1 O5 Tb1 105.6(3) . 2_676 ?
C10 O6 Co1 124.4(6) . . ?
C9 O7 Tb1 141.2(8) 2_676 . ?
C11 O9 Co2 128.3(9) . . ?
C12 O10 Co3 111.4(6) . . ?
C12 O10 Tb1 137.9(7) . . ?
Co3 O10 Tb1 90.5(3) . . ?
C14 O11 Co3 110.0(6) . . ?
C14 O11 Co2 121.2(7) . . ?
Co3 O11 Co2 81.8(3) . . ?
C14 O11 Tb1 137.5(7) . . ?
Co3 O11 Tb1 88.9(2) . . ?
Co2 O11 Tb1 98.4(3) . . ?
C16 O12 Co3 110.9(6) . . ?
C16 O12 Co2 121.1(7) . . ?
Co3 O12 Co2 85.5(3) . . ?
C18 O13 Co3 111.5(6) . . ?
C18 O13 Co2 123.8(6) . . ?
Co3 O13 Co2 82.3(3) . . ?
C18 O13 Tb1 136.2(6) . . ?
Co3 O13 Tb1 87.7(3) . . ?
Co2 O13 Tb1 96.8(2) . . ?
C10 O14 Co2 123.8(7) . . ?
C10 O14 Tb1 139.4(6) . . ?
Co2 O14 Tb1 96.7(3) . . ?
C9 O17 Co1 121.1(9) . . ?
O5 Tb1 O4 125.3(2) 2_676 . ?
O5 Tb1 O10 148.4(3) 2_676 . ?
O4 Tb1 O10 77.2(2) . . ?
O5 Tb1 O7 76.4(3) 2_676 . ?
O4 Tb1 O7 119.6(3) . . ?
O10 Tb1 O7 72.8(3) . . ?
O5 Tb1 O11 97.5(2) 2_676 . ?
O4 Tb1 O11 136.2(2) . . ?
O10 Tb1 O11 68.2(2) . . ?
O7 Tb1 O11 75.1(3) . . ?
O5 Tb1 O3 71.7(2) 2_676 . ?
O4 Tb1 O3 65.2(2) . . ?
O10 Tb1 O3 105.6(2) . . ?
O7 Tb1 O3 74.3(3) . . ?
O11 Tb1 O3 149.1(3) . . ?
O5 Tb1 O13 135.4(2) 2_676 . ?
O4 Tb1 O13 79.6(2) . . ?
O10 Tb1 O13 63.8(2) . . ?
O7 Tb1 O13 126.9(2) . . ?
O11 Tb1 O13 61.7(2) . . ?
O3 Tb1 O13 144.8(2) . . ?
O5 Tb1 O1 69.8(2) 2_676 . ?
O4 Tb1 O1 62.7(2) . . ?
O10 Tb1 O1 139.2(2) . . ?
O7 Tb1 O1 133.5(2) . . ?
O11 Tb1 O1 139.1(2) . . ?
O3 Tb1 O1 65.5(2) . . ?
O13 Tb1 O1 99.5(2) . . ?
O5 Tb1 O14 72.3(2) 2_676 . ?
O4 Tb1 O14 115.9(3) . . ?
O10 Tb1 O14 121.0(2) . . ?
O7 Tb1 O14 124.4(3) . . ?
O11 Tb1 O14 65.2(2) . . ?
O3 Tb1 O14 132.7(2) . . ?
O13 Tb1 O14 63.2(2) . . ?
O1 Tb1 O14 73.9(2) . . ?
O5 Tb1 Co3 136.08(16) 2_676 . ?
O4 Tb1 Co3 98.02(15) . . ?
O10 Tb1 Co3 37.84(17) . . ?
O7 Tb1 Co3 88.85(18) . . ?
O11 Tb1 Co3 38.58(16) . . ?
O3 Tb1 Co3 143.47(16) . . ?
O13 Tb1 Co3 38.09(16) . . ?
O1 Tb1 Co3 137.58(15) . . ?
O14 Tb1 Co3 83.53(14) . . ?
O5 Tb1 Co4 88.14(16) 2_676 . ?
O4 Tb1 Co4 37.37(15) . . ?
O10 Tb1 Co4 109.44(17) . . ?
O7 Tb1 Co4 111.9(2) . . ?
O11 Tb1 Co4 172.03(18) . . ?
O3 Tb1 Co4 38.39(18) . . ?
O13 Tb1 Co4 110.38(16) . . ?
O1 Tb1 Co4 38.39(15) . . ?
O14 Tb1 Co4 111.65(16) . . ?
Co3 Tb1 Co4 135.39(4) . . ?
O5 Tb1 Co1 34.71(16) 2_676 2_676 ?
O4 Tb1 Co1 101.95(15) . 2_676 ?
O10 Tb1 Co1 128.49(19) . 2_676 ?
O7 Tb1 Co1 63.12(18) . 2_676 ?
O11 Tb1 Co1 120.32(17) . 2_676 ?
O3 Tb1 Co1 38.85(16) . 2_676 ?
O13 Tb1 Co1 167.67(16) . 2_676 ?
O1 Tb1 Co1 70.94(15) . 2_676 ?
O14 Tb1 Co1 105.79(15) . 2_676 ?
Co3 Tb1 Co1 151.09(4) . 2_676 ?
Co4 Tb1 Co1 67.32(3) . 2_676 ?

_refine_diff_density_max         4.208
_refine_diff_density_min         -2.668
_refine_diff_density_rms         0.219

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Co8Gd2
_database_code_depnum_ccdc_archive 'CCDC 1850867'
_audit_update_record             
;
2018-06-21 deposited with the CCDC.
2018-06-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            Co8Gd2
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H106 Cl4 Co8 Gd2 N8 O34'
_chemical_formula_weight         2195.08

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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.5808(4)
_cell_length_b                   13.1176(5)
_cell_length_c                   14.5614(5)
_cell_angle_alpha                71.009(2)
_cell_angle_beta                 67.615(2)
_cell_angle_gamma                65.536(2)
_cell_volume                     1824.40(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7149
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      27.59

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            PINK
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.998
_exptl_crystal_F_000             1098
_exptl_transmission_factor_min   0.565
_exptl_transmission_factor_max   0.654
_exptl_crystal_size_max          0.153
_exptl_crystal_size_mid          0.148
_exptl_crystal_size_min          0.112
_exptl_absorpt_coefficient_mu    3.793
_shelx_estimated_absorpt_T_min   0.595
_shelx_estimated_absorpt_T_max   0.676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS (Sheldrick,1996)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15699
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.740
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             6407
_reflns_number_gt                5338
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0968P)²+6.5747P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6407
_refine_ls_number_parameters     446
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0492
_refine_ls_wR_factor_ref         0.1448
_refine_ls_wR_factor_gt          0.1329
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.36109(3) 0.62654(3) 0.18558(2) 0.01427(14) Uani 1 1 d . . . . .
Co3 Co 0.28271(9) 0.80100(8) 0.31620(7) 0.0154(2) Uani 1 1 d . . . . .
Co1 Co 0.62412(9) 0.44090(8) 0.03152(7) 0.0142(2) Uani 1 1 d . . . . .
Co4 Co 0.33240(9) 0.38783(8) 0.22606(7) 0.0150(2) Uani 1 1 d . . . . .
Co2 Co 0.54871(10) 0.73151(8) 0.24716(7) 0.0174(2) Uani 1 1 d . . . . .
O1 O 0.4070(5) 0.8513(4) 0.3312(4) 0.0188(11) Uani 1 1 d . . . . .
O2 O 0.4016(5) 0.6489(4) 0.3341(3) 0.0168(10) Uani 1 1 d . . . . .
O3 O 0.3877(5) 0.8040(4) 0.1783(3) 0.0168(10) Uani 1 1 d . . . . .
O4 O 0.4955(5) 0.4207(4) 0.1835(3) 0.0165(10) Uani 1 1 d . . . . .
O5 O 0.2781(5) 0.4858(4) 0.3166(3) 0.0189(11) Uani 1 1 d . . . . .
O6 O 0.2701(5) 0.5246(4) 0.1300(4) 0.0170(10) Uani 1 1 d . . . . .
O8 O 0.3787(5) 0.2882(4) 0.1367(3) 0.0174(10) Uani 1 1 d . . . . .
O9 O 0.6014(5) 0.6075(4) 0.1655(4) 0.0200(11) Uani 1 1 d . . . . .
O10 O 0.7546(5) 0.4840(4) 0.0681(4) 0.0207(11) Uani 1 1 d . . . . .
O11 O 0.5134(5) 0.3988(4) -0.0226(3) 0.0146(10) Uani 1 1 d . . . . .
H11C H 0.4795 0.3368 0.0212 0.018 Uiso 1 1 calc R U . . .
O12 O 0.2471(5) 0.7249(4) -0.0600(4) 0.0218(11) Uani 1 1 d . . . . .
O13 O 0.1714(5) 0.7422(4) 0.2972(4) 0.0182(11) Uani 1 1 d . . . . .
O14 O 0.2261(5) 0.7717(4) 0.0819(4) 0.0264(12) Uani 1 1 d . . . . .
O15 O 0.6555(5) 0.8259(4) 0.1298(4) 0.0244(12) Uani 1 1 d . . . . .
H15C H 0.6400 0.8440 0.0730 0.029 Uiso 1 1 d R U . . .
O1W O 0.7467(6) 0.7617(5) 0.9573(4) 0.0279(12) Uani 1 1 d . . . . .
H1WA H 0.7129 0.7949 0.9083 0.042 Uiso 1 1 d R U . . .
H1WC H 0.7468 0.6931 0.9767 0.042 Uiso 1 1 d R U . . .
O16 O 0.2841(7) 0.2192(5) 0.5318(4) 0.0380(15) Uani 1 1 d . . . . .
H16 H 0.2747 0.2532 0.5738 0.057 Uiso 1 1 calc R U . . .
O17 O 0.0116(7) 0.6825(7) 0.9047(6) 0.055(2) Uani 1 1 d . . . . .
H17 H 0.0704 0.6256 0.9222 0.082 Uiso 1 1 calc R U . . .
N1 N 0.2056(6) 0.7809(5) 0.4617(4) 0.0213(14) Uani 1 1 d . . . . .
H10A H 0.1090 0.8141 0.4771 0.026 Uiso 1 1 calc R U . . .
N2 N 0.1558(6) 0.3812(5) 0.2789(5) 0.0218(14) Uani 1 1 d . . . . .
H10B H 0.1594 0.3035 0.2844 0.026 Uiso 1 1 calc R U . . .
N3 N 0.4132(6) 0.2497(5) 0.3150(4) 0.0198(13) Uani 1 1 d . . . . .
H10C H 0.3603 0.2515 0.3857 0.024 Uiso 1 1 calc R U . . .
N4 N 0.1636(6) 0.9492(5) 0.2743(4) 0.0189(13) Uani 1 1 d . . . . .
H10D H 0.1639 1.0065 0.3037 0.023 Uiso 1 1 calc R U . . .
C1 C 0.3812(8) 0.5950(6) 0.4396(5) 0.0206(16) Uani 1 1 d . . . . .
H1A H 0.4460 0.5982 0.4645 0.025 Uiso 1 1 calc R U . . .
H1B H 0.3925 0.5153 0.4478 0.025 Uiso 1 1 calc R U . . .
C2 C 0.2430(8) 0.6557(6) 0.4996(5) 0.0227(16) Uani 1 1 d . . . . .
H2A H 0.1803 0.6281 0.4944 0.027 Uiso 1 1 calc R U . . .
H2B H 0.2391 0.6387 0.5705 0.027 Uiso 1 1 calc R U . . .
C3 C 0.2547(8) 0.8446(7) 0.4980(6) 0.0247(17) Uani 1 1 d . . . . .
H3A H 0.2514 0.8128 0.5688 0.030 Uiso 1 1 calc R U . . .
H3B H 0.1985 0.9242 0.4922 0.030 Uiso 1 1 calc R U . . .
C4 C 0.3956(8) 0.8366(6) 0.4355(5) 0.0211(16) Uani 1 1 d . . . . .
H4A H 0.4186 0.8952 0.4445 0.025 Uiso 1 1 calc R U . . .
H4B H 0.4560 0.7626 0.4577 0.025 Uiso 1 1 calc R U . . .
C5 C 0.1288(7) 0.5635(6) 0.1591(6) 0.0197(15) Uani 1 1 d . . . . .
H5A H 0.0972 0.6079 0.1005 0.024 Uiso 1 1 calc R U . . .
H5B H 0.0937 0.6118 0.2084 0.024 Uiso 1 1 calc R U . . .
C6 C 0.0832(7) 0.4616(6) 0.2043(6) 0.0244(17) Uani 1 1 d . . . . .
H6A H -0.0112 0.4858 0.2377 0.029 Uiso 1 1 calc R U . . .
H6B H 0.0998 0.4235 0.1512 0.029 Uiso 1 1 calc R U . . .
C7 C 0.1505(8) 0.4956(6) 0.3867(5) 0.0218(16) Uani 1 1 d . . . . .
H7A H 0.0901 0.5722 0.3711 0.026 Uiso 1 1 calc R U . . .
H7B H 0.1557 0.4831 0.4547 0.026 Uiso 1 1 calc R U . . .
C8 C 0.0977(8) 0.4096(7) 0.3827(5) 0.0237(17) Uani 1 1 d . . . . .
H8A H 0.1206 0.3406 0.4329 0.028 Uiso 1 1 calc R U . . .
H8B H 0.0020 0.4409 0.3983 0.028 Uiso 1 1 calc R U . . .
C9 C 0.0458(8) 0.8237(6) 0.2913(6) 0.0269(18) Uani 1 1 d . . . . .
H9A H -0.0233 0.7946 0.3408 0.032 Uiso 1 1 calc R U . . .
H9B H 0.0372 0.8358 0.2245 0.032 Uiso 1 1 calc R U . . .
C11 C 0.3575(7) 0.9205(6) 0.1249(5) 0.0220(16) Uani 1 1 d . . . . .
H11A H 0.3854 0.9237 0.0525 0.026 Uiso 1 1 calc R U . . .
H11B H 0.4035 0.9588 0.1384 0.026 Uiso 1 1 calc R U . . .
C14 C 0.7194(7) 0.5553(6) 0.1222(5) 0.0176(15) Uani 1 1 d . . . . .
H14A H 0.7878 0.5720 0.1304 0.021 Uiso 1 1 d R U . . .
C15 C 0.4170(8) 0.1497(6) 0.2849(6) 0.0224(16) Uani 1 1 d . . . . .
H15A H 0.3309 0.1399 0.3127 0.027 Uiso 1 1 calc R U . . .
H15B H 0.4814 0.0804 0.3094 0.027 Uiso 1 1 calc R U . . .
C16 C 0.4558(8) 0.1759(6) 0.1703(5) 0.0207(16) Uani 1 1 d . . . . .
H16A H 0.5490 0.1682 0.1434 0.025 Uiso 1 1 calc R U . . .
H16B H 0.4415 0.1224 0.1465 0.025 Uiso 1 1 calc R U . . .
C17 C 0.5484(8) 0.2459(6) 0.3012(6) 0.0223(16) Uani 1 1 d . . . . .
H17A H 0.6120 0.1997 0.2516 0.027 Uiso 1 1 calc R U . . .
H17B H 0.5705 0.2111 0.3648 0.027 Uiso 1 1 calc R U . . .
C18 C 0.2054(8) 0.7913(6) -0.0012(6) 0.0237(17) Uani 1 1 d . . . . .
H18A H 0.1477 0.8633 -0.0274 0.036 Uiso 1 1 d R U . . .
C19 C 0.0289(8) 0.9377(7) 0.3112(7) 0.0301(18) Uani 1 1 d . . . . .
H19A H -0.0297 1.0006 0.2753 0.036 Uiso 1 1 calc R U . . .
H19B H -0.0089 0.9384 0.3831 0.036 Uiso 1 1 calc R U . . .
C20 C 0.2093(8) 0.9784(6) 0.1611(6) 0.0259(17) Uani 1 1 d . . . . .
H20A H 0.1877 1.0605 0.1384 0.031 Uiso 1 1 calc R U . . .
H20B H 0.1647 0.9530 0.1328 0.031 Uiso 1 1 calc R U . . .
C21 C 0.5554(8) 0.3644(6) 0.2661(5) 0.0221(16) Uani 1 1 d . . . . .
H21A H 0.5080 0.4058 0.3211 0.027 Uiso 1 1 calc R U . . .
H21B H 0.6468 0.3617 0.2430 0.027 Uiso 1 1 calc R U . . .
C22 C 0.7536(10) 0.8633(8) 0.1324(7) 0.039(2) Uani 1 1 d . . . . .
H22A H 0.7867 0.9056 0.0667 0.058 Uiso 1 1 calc R U . . .
H22B H 0.7150 0.9113 0.1814 0.058 Uiso 1 1 calc R U . . .
H22C H 0.8250 0.7981 0.1508 0.058 Uiso 1 1 calc R U . . .
C50 C 0.0599(12) 0.7326(9) 0.8084(8) 0.052(3) Uani 1 1 d . . . . .
H50A H -0.0120 0.7892 0.7832 0.077 Uiso 1 1 calc R U . . .
H50B H 0.1075 0.6759 0.7669 0.077 Uiso 1 1 calc R U . . .
H50C H 0.1184 0.7684 0.8064 0.077 Uiso 1 1 calc R U . . .
C51 C 0.3043(9) 0.1031(8) 0.5759(7) 0.036(2) Uani 1 1 d . . . . .
H51A H 0.3973 0.0607 0.5575 0.053 Uiso 1 1 calc R U . . .
H51B H 0.2587 0.0749 0.5520 0.053 Uiso 1 1 calc R U . . .
H51C H 0.2706 0.0942 0.6483 0.053 Uiso 1 1 calc R U . . .
Cl1 Cl 0.70888(19) 0.63706(16) 0.33768(14) 0.0260(4) Uani 1 1 d . . . . .
Cl2 Cl 0.9114(2) 0.85641(17) 0.60259(16) 0.0340(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Gd1 O11 2.311(4) 2_665 ?
Gd1 O5 2.398(4) . ?
Gd1 O14 2.410(6) . ?
Gd1 O13 2.428(4) . ?
Gd1 O3 2.436(4) . ?
Gd1 O6 2.465(5) . ?
Gd1 O4 2.500(5) . ?
Gd1 O2 2.506(5) . ?
Gd1 O9 2.598(5) . ?
Gd1 Co3 3.0784(9) . ?
Gd1 Co4 3.1264(9) . ?
Gd1 Co1 3.4768(9) 2_665 ?
Co3 O13 1.888(5) . ?
Co3 O2 1.899(5) . ?
Co3 O3 1.908(5) . ?
Co3 O1 1.917(5) . ?
Co3 N4 1.924(6) . ?
Co3 N1 1.935(6) . ?
Co3 Co2 2.6913(13) . ?
Co1 O11 2.045(5) 2_665 ?
Co1 O11 2.051(5) . ?
Co1 O12 2.079(5) 2_665 ?
Co1 O10 2.099(5) . ?
Co1 O4 2.150(5) . ?
Co1 O6 2.193(5) 2_665 ?
Co1 Co1 2.9838(19) 2_665 ?
Co1 Gd1 3.4768(9) 2_665 ?
Co4 O5 1.893(5) . ?
Co4 O8 1.919(5) . ?
Co4 N2 1.921(6) . ?
Co4 O4 1.935(5) . ?
Co4 O6 1.939(5) . ?
Co4 N3 1.956(6) . ?
Co2 O1 2.061(5) . ?
Co2 O15 2.065(5) . ?
Co2 O9 2.078(5) . ?
Co2 O2 2.162(5) . ?
Co2 O3 2.172(5) . ?
Co2 Cl1 2.368(2) . ?
O1 C4 1.429(8) . ?
O2 C1 1.438(8) . ?
O3 C11 1.434(9) . ?
O4 C21 1.450(8) . ?
O5 C7 1.422(8) . ?
O6 C5 1.427(9) . ?
O6 Co1 2.193(5) 2_665 ?
O8 C16 1.408(9) . ?
O9 C14 1.258(9) . ?
O10 C14 1.257(8) . ?
O11 Co1 2.045(5) 2_665 ?
O11 Gd1 2.311(4) 2_665 ?
O11 H11C 0.9800 . ?
O12 C18 1.244(9) . ?
O12 Co1 2.079(5) 2_665 ?
O13 C9 1.419(9) . ?
O14 C18 1.247(9) . ?
O15 C22 1.427(9) . ?
O15 H15C 0.8500 . ?
O1W H1WA 0.8501 . ?
O1W H1WC 0.8501 . ?
O16 C51 1.403(10) . ?
O16 H16 0.8200 . ?
O17 C50 1.349(12) . ?
O17 H17 0.8200 . ?
N1 C2 1.481(9) . ?
N1 C3 1.487(9) . ?
N1 H10A 0.9800 . ?
N2 C6 1.488(11) . ?
N2 C8 1.503(8) . ?
N2 H10B 0.9800 . ?
N3 C17 1.482(10) . ?
N3 C15 1.491(9) . ?
N3 H10C 0.9800 . ?
N4 C20 1.496(9) . ?
N4 C19 1.500(10) . ?
N4 H10D 0.9800 . ?
C1 C2 1.514(10) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.514(11) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.499(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.514(10) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C19 1.534(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 C20 1.514(11) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C14 H14A 0.9601 . ?
C15 C16 1.513(10) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C21 1.496(10) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9600 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?

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
O11 Gd1 O5 124.56(16) 2_665 . ?
O11 Gd1 O14 76.42(17) 2_665 . ?
O5 Gd1 O14 120.68(18) . . ?
O11 Gd1 O13 148.83(17) 2_665 . ?
O5 Gd1 O13 77.51(16) . . ?
O14 Gd1 O13 72.97(17) . . ?
O11 Gd1 O3 98.58(16) 2_665 . ?
O5 Gd1 O3 135.78(15) . . ?
O14 Gd1 O3 74.96(17) . . ?
O13 Gd1 O3 67.97(16) . . ?
O11 Gd1 O6 71.58(16) 2_665 . ?
O5 Gd1 O6 65.38(16) . . ?
O14 Gd1 O6 74.38(16) . . ?
O13 Gd1 O6 105.10(16) . . ?
O3 Gd1 O6 149.22(17) . . ?
O11 Gd1 O4 69.15(15) 2_665 . ?
O5 Gd1 O4 62.15(16) . . ?
O14 Gd1 O4 133.20(16) . . ?
O13 Gd1 O4 139.06(15) . . ?
O3 Gd1 O4 139.66(16) . . ?
O6 Gd1 O4 65.38(16) . . ?
O11 Gd1 O2 135.40(16) 2_665 . ?
O5 Gd1 O2 79.56(16) . . ?
O14 Gd1 O2 126.81(16) . . ?
O13 Gd1 O2 64.06(16) . . ?
O3 Gd1 O2 61.10(15) . . ?
O6 Gd1 O2 144.91(15) . . ?
O4 Gd1 O2 99.99(15) . . ?
O11 Gd1 O9 72.20(15) 2_665 . ?
O5 Gd1 O9 115.18(17) . . ?
O14 Gd1 O9 124.14(17) . . ?
O13 Gd1 O9 121.56(15) . . ?
O3 Gd1 O9 65.74(16) . . ?
O6 Gd1 O9 132.70(15) . . ?
O4 Gd1 O9 73.94(15) . . ?
O2 Gd1 O9 63.29(15) . . ?
O11 Gd1 Co3 136.87(11) 2_665 . ?
O5 Gd1 Co3 97.94(11) . . ?
O14 Gd1 Co3 88.81(12) . . ?
O13 Gd1 Co3 37.84(11) . . ?
O3 Gd1 Co3 38.30(11) . . ?
O6 Gd1 Co3 142.92(11) . . ?
O4 Gd1 Co3 137.94(11) . . ?
O2 Gd1 Co3 38.04(11) . . ?
O9 Gd1 Co3 84.10(10) . . ?
O11 Gd1 Co4 87.60(11) 2_665 . ?
O5 Gd1 Co4 37.22(11) . . ?
O14 Gd1 Co4 112.03(12) . . ?
O13 Gd1 Co4 109.14(11) . . ?
O3 Gd1 Co4 171.74(11) . . ?
O6 Gd1 Co4 38.33(11) . . ?
O4 Gd1 Co4 38.24(11) . . ?
O2 Gd1 Co4 110.64(11) . . ?
O9 Gd1 Co4 111.51(11) . . ?
Co3 Gd1 Co4 135.16(3) . . ?
O11 Gd1 Co1 34.64(11) 2_665 2_665 ?
O5 Gd1 Co1 101.81(11) . 2_665 ?
O14 Gd1 Co1 63.15(12) . 2_665 ?
O13 Gd1 Co1 128.22(12) . 2_665 ?
O3 Gd1 Co1 121.01(11) . 2_665 ?
O6 Gd1 Co1 38.81(11) . 2_665 ?
O4 Gd1 Co1 70.52(10) . 2_665 ?
O2 Gd1 Co1 167.71(11) . 2_665 ?
O9 Gd1 Co1 105.71(11) . 2_665 ?
Co3 Gd1 Co1 151.25(3) . 2_665 ?
Co4 Gd1 Co1 67.04(2) . 2_665 ?
O13 Co3 O2 87.5(2) . . ?
O13 Co3 O3 91.5(2) . . ?
O2 Co3 O3 82.6(2) . . ?
O13 Co3 O1 175.6(2) . . ?
O2 Co3 O1 88.8(2) . . ?
O3 Co3 O1 85.8(2) . . ?
O13 Co3 N4 85.7(2) . . ?
O2 Co3 N4 168.9(2) . . ?
O3 Co3 N4 88.8(2) . . ?
O1 Co3 N4 97.7(2) . . ?
O13 Co3 N1 94.1(2) . . ?
O2 Co3 N1 89.1(2) . . ?
O3 Co3 N1 169.8(3) . . ?
O1 Co3 N1 88.1(2) . . ?
N4 Co3 N1 100.1(3) . . ?
O13 Co3 Co2 125.94(14) . . ?
O2 Co3 Co2 52.84(15) . . ?
O3 Co3 Co2 53.11(15) . . ?
O1 Co3 Co2 49.72(15) . . ?
N4 Co3 Co2 126.09(18) . . ?
N1 Co3 Co2 116.9(2) . . ?
O13 Co3 Gd1 52.06(14) . . ?
O2 Co3 Gd1 54.43(14) . . ?
O3 Co3 Gd1 52.30(13) . . ?
O1 Co3 Gd1 123.69(15) . . ?
N4 Co3 Gd1 114.58(18) . . ?
N1 Co3 Gd1 126.28(17) . . ?
Co2 Co3 Gd1 74.12(3) . . ?
O11 Co1 O11 86.49(18) 2_665 . ?
O11 Co1 O12 172.85(19) 2_665 2_665 ?
O11 Co1 O12 95.26(19) . 2_665 ?
O11 Co1 O10 95.36(19) 2_665 . ?
O11 Co1 O10 172.61(19) . . ?
O12 Co1 O10 83.8(2) 2_665 . ?
O11 Co1 O4 81.33(18) 2_665 . ?
O11 Co1 O4 92.22(18) . . ?
O12 Co1 O4 91.67(19) 2_665 . ?
O10 Co1 O4 95.12(19) . . ?
O11 Co1 O6 92.42(18) 2_665 2_665 ?
O11 Co1 O6 82.35(18) . 2_665 ?
O12 Co1 O6 94.68(19) 2_665 2_665 ?
O10 Co1 O6 90.42(19) . 2_665 ?
O4 Co1 O6 171.99(18) . 2_665 ?
O11 Co1 Co1 43.34(13) 2_665 2_665 ?
O11 Co1 Co1 43.16(13) . 2_665 ?
O12 Co1 Co1 137.99(15) 2_665 2_665 ?
O10 Co1 Co1 138.23(15) . 2_665 ?
O4 Co1 Co1 85.60(13) . 2_665 ?
O6 Co1 Co1 86.41(13) 2_665 2_665 ?
O11 Co1 Gd1 99.77(13) 2_665 2_665 ?
O11 Co1 Gd1 39.82(13) . 2_665 ?
O12 Co1 Gd1 85.89(13) 2_665 2_665 ?
O10 Co1 Gd1 132.82(14) . 2_665 ?
O4 Co1 Gd1 131.14(13) . 2_665 ?
O6 Co1 Gd1 44.81(12) 2_665 2_665 ?
Co1 Co1 Gd1 65.68(3) 2_665 2_665 ?
O11 Co1 Gd1 38.52(13) 2_665 . ?
O11 Co1 Gd1 98.05(13) . . ?
O12 Co1 Gd1 134.35(14) 2_665 . ?
O10 Co1 Gd1 87.76(13) . . ?
O4 Co1 Gd1 44.51(13) . . ?
O6 Co1 Gd1 130.25(13) 2_665 . ?
Co1 Co1 Gd1 63.90(3) 2_665 . ?
Gd1 Co1 Gd1 129.59(3) 2_665 . ?
O5 Co4 O8 177.2(2) . . ?
O5 Co4 N2 86.9(2) . . ?
O8 Co4 N2 90.3(2) . . ?
O5 Co4 O4 82.7(2) . . ?
O8 Co4 O4 100.1(2) . . ?
N2 Co4 O4 169.0(2) . . ?
O5 Co4 O6 86.6(2) . . ?
O8 Co4 O6 93.3(2) . . ?
N2 Co4 O6 88.2(2) . . ?
O4 Co4 O6 87.6(2) . . ?
O5 Co4 N3 94.9(2) . . ?
O8 Co4 N3 85.5(2) . . ?
N2 Co4 N3 97.4(3) . . ?
O4 Co4 N3 87.1(2) . . ?
O6 Co4 N3 174.3(2) . . ?
O5 Co4 Gd1 50.02(14) . . ?
O8 Co4 Gd1 131.70(14) . . ?
N2 Co4 Gd1 116.85(18) . . ?
O4 Co4 Gd1 53.08(14) . . ?
O6 Co4 Gd1 52.05(14) . . ?
N3 Co4 Gd1 125.38(18) . . ?
O1 Co2 O15 102.9(2) . . ?
O1 Co2 O9 150.8(2) . . ?
O15 Co2 O9 93.7(2) . . ?
O1 Co2 O2 78.35(18) . . ?
O15 Co2 O2 161.1(2) . . ?
O9 Co2 O2 78.35(18) . . ?
O1 Co2 O3 75.88(18) . . ?
O15 Co2 O3 91.0(2) . . ?
O9 Co2 O3 80.09(19) . . ?
O2 Co2 O3 70.86(18) . . ?
O1 Co2 Cl1 103.13(15) . . ?
O15 Co2 Cl1 96.36(16) . . ?
O9 Co2 Cl1 98.57(15) . . ?
O2 Co2 Cl1 101.76(14) . . ?
O3 Co2 Cl1 172.62(14) . . ?
O1 Co2 Co3 45.20(14) . . ?
O15 Co2 Co3 124.35(16) . . ?
O9 Co2 Co3 105.67(15) . . ?
O2 Co2 Co3 44.42(13) . . ?
O3 Co2 Co3 44.63(12) . . ?
Cl1 Co2 Co3 129.89(6) . . ?
O1 Co2 Gd1 103.11(14) . . ?
O15 Co2 Gd1 117.10(14) . . ?
O9 Co2 Gd1 47.74(14) . . ?
O2 Co2 Gd1 45.50(12) . . ?
O3 Co2 Gd1 43.67(12) . . ?
Cl1 Co2 Gd1 130.80(6) . . ?
Co3 Co2 Gd1 58.02(3) . . ?
C4 O1 Co3 111.3(4) . . ?
C4 O1 Co2 120.7(4) . . ?
Co3 O1 Co2 85.08(18) . . ?
C1 O2 Co3 111.5(4) . . ?
C1 O2 Co2 124.8(4) . . ?
Co3 O2 Co2 82.74(18) . . ?
C1 O2 Gd1 135.4(4) . . ?
Co3 O2 Gd1 87.53(18) . . ?
Co2 O2 Gd1 96.52(17) . . ?
C11 O3 Co3 108.3(4) . . ?
C11 O3 Co2 119.1(4) . . ?
Co3 O3 Co2 82.26(18) . . ?
C11 O3 Gd1 139.9(4) . . ?
Co3 O3 Gd1 89.40(17) . . ?
Co2 O3 Gd1 98.33(18) . . ?
C21 O4 Co4 106.8(4) . . ?
C21 O4 Co1 118.1(4) . . ?
Co4 O4 Co1 126.3(2) . . ?
C21 O4 Gd1 113.4(4) . . ?
Co4 O4 Gd1 88.68(18) . . ?
Co1 O4 Gd1 98.42(17) . . ?
C7 O5 Co4 114.5(4) . . ?
C7 O5 Gd1 130.8(4) . . ?
Co4 O5 Gd1 92.76(18) . . ?
C5 O6 Co4 109.1(4) . . ?
C5 O6 Co1 118.3(4) . 2_665 ?
Co4 O6 Co1 124.5(2) . 2_665 ?
C5 O6 Gd1 113.4(4) . . ?
Co4 O6 Gd1 89.61(18) . . ?
Co1 O6 Gd1 96.39(17) 2_665 . ?
C16 O8 Co4 112.4(4) . . ?
C14 O9 Co2 123.3(5) . . ?
C14 O9 Gd1 140.6(4) . . ?
Co2 O9 Gd1 95.97(18) . . ?
C14 O10 Co1 124.7(5) . . ?
Co1 O11 Co1 93.51(18) 2_665 . ?
Co1 O11 Gd1 108.0(2) 2_665 2_665 ?
Co1 O11 Gd1 105.54(19) . 2_665 ?
Co1 O11 H11C 115.7 2_665 . ?
Co1 O11 H11C 115.7 . . ?
Gd1 O11 H11C 115.7 2_665 . ?
C18 O12 Co1 121.9(5) . 2_665 ?
C9 O13 Co3 114.0(4) . . ?
C9 O13 Gd1 136.2(4) . . ?
Co3 O13 Gd1 90.11(19) . . ?
C18 O14 Gd1 140.4(5) . . ?
C22 O15 Co2 127.7(5) . . ?
C22 O15 H15C 116.1 . . ?
Co2 O15 H15C 116.2 . . ?
H1WA O1W H1WC 109.5 . . ?
C51 O16 H16 109.5 . . ?
C50 O17 H17 109.5 . . ?
C2 N1 C3 116.9(6) . . ?
C2 N1 Co3 105.3(4) . . ?
C3 N1 Co3 106.8(4) . . ?
C2 N1 H10A 109.2 . . ?
C3 N1 H10A 109.2 . . ?
Co3 N1 H10A 109.2 . . ?
C6 N2 C8 114.5(6) . . ?
C6 N2 Co4 106.7(4) . . ?
C8 N2 Co4 108.0(4) . . ?
C6 N2 H10B 109.2 . . ?
C8 N2 H10B 109.2 . . ?
Co4 N2 H10B 109.2 . . ?
C17 N3 C15 111.2(6) . . ?
C17 N3 Co4 108.1(4) . . ?
C15 N3 Co4 107.6(5) . . ?
C17 N3 H10C 110.0 . . ?
C15 N3 H10C 110.0 . . ?
Co4 N3 H10C 110.0 . . ?
C20 N4 C19 111.3(6) . . ?
C20 N4 Co3 107.2(4) . . ?
C19 N4 Co3 106.3(5) . . ?
C20 N4 H10D 110.6 . . ?
C19 N4 H10D 110.6 . . ?
Co3 N4 H10D 110.6 . . ?
O2 C1 C2 109.6(6) . . ?
O2 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
O2 C1 H1B 109.7 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
N1 C2 C1 111.0(6) . . ?
N1 C2 H2A 109.4 . . ?
C1 C2 H2A 109.4 . . ?
N1 C2 H2B 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
N1 C3 C4 109.9(6) . . ?
N1 C3 H3A 109.7 . . ?
C4 C3 H3A 109.7 . . ?
N1 C3 H3B 109.7 . . ?
C4 C3 H3B 109.7 . . ?
H3A C3 H3B 108.2 . . ?
O1 C4 C3 109.1(6) . . ?
O1 C4 H4A 109.9 . . ?
C3 C4 H4A 109.9 . . ?
O1 C4 H4B 109.9 . . ?
C3 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
O6 C5 C6 108.7(6) . . ?
O6 C5 H5A 110.0 . . ?
C6 C5 H5A 110.0 . . ?
O6 C5 H5B 110.0 . . ?
C6 C5 H5B 110.0 . . ?
H5A C5 H5B 108.3 . . ?
N2 C6 C5 109.4(6) . . ?
N2 C6 H6A 109.8 . . ?
C5 C6 H6A 109.8 . . ?
N2 C6 H6B 109.8 . . ?
C5 C6 H6B 109.8 . . ?
H6A C6 H6B 108.3 . . ?
O5 C7 C8 111.1(5) . . ?
O5 C7 H7A 109.4 . . ?
C8 C7 H7A 109.4 . . ?
O5 C7 H7B 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
N2 C8 C7 109.9(6) . . ?
N2 C8 H8A 109.7 . . ?
C7 C8 H8A 109.7 . . ?
N2 C8 H8B 109.7 . . ?
C7 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
O13 C9 C19 110.9(6) . . ?
O13 C9 H9A 109.5 . . ?
C19 C9 H9A 109.5 . . ?
O13 C9 H9B 109.5 . . ?
C19 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
O3 C11 C20 107.8(6) . . ?
O3 C11 H11A 110.2 . . ?
C20 C11 H11A 110.2 . . ?
O3 C11 H11B 110.2 . . ?
C20 C11 H11B 110.2 . . ?
H11A C11 H11B 108.5 . . ?
O10 C14 O9 125.0(6) . . ?
O10 C14 H14A 117.5 . . ?
O9 C14 H14A 117.4 . . ?
N3 C15 C16 106.0(5) . . ?
N3 C15 H15A 110.5 . . ?
C16 C15 H15A 110.5 . . ?
N3 C15 H15B 110.5 . . ?
C16 C15 H15B 110.5 . . ?
H15A C15 H15B 108.7 . . ?
O8 C16 C15 109.1(6) . . ?
O8 C16 H16A 109.9 . . ?
C15 C16 H16A 109.9 . . ?
O8 C16 H16B 109.9 . . ?
C15 C16 H16B 109.9 . . ?
H16A C16 H16B 108.3 . . ?
N3 C17 C21 109.8(6) . . ?
N3 C17 H17A 109.7 . . ?
C21 C17 H17A 109.7 . . ?
N3 C17 H17B 109.7 . . ?
C21 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
O12 C18 O14 128.3(7) . . ?
O12 C18 H18A 109.4 . . ?
O14 C18 H18A 122.3 . . ?
N4 C19 C9 107.3(6) . . ?
N4 C19 H19A 110.3 . . ?
C9 C19 H19A 110.3 . . ?
N4 C19 H19B 110.3 . . ?
C9 C19 H19B 110.3 . . ?
H19A C19 H19B 108.5 . . ?
N4 C20 C11 109.3(6) . . ?
N4 C20 H20A 109.8 . . ?
C11 C20 H20A 109.8 . . ?
N4 C20 H20B 109.8 . . ?
C11 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
O4 C21 C17 107.5(6) . . ?
O4 C21 H21A 110.2 . . ?
C17 C21 H21A 110.2 . . ?
O4 C21 H21B 110.2 . . ?
C17 C21 H21B 110.2 . . ?
H21A C21 H21B 108.5 . . ?
O15 C22 H22A 109.5 . . ?
O15 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O15 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O17 C50 H50A 109.5 . . ?
O17 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
O17 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O16 C51 H51A 109.5 . . ?
O16 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
O16 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?

_refine_diff_density_max         5.158
_refine_diff_density_min         -1.564
_refine_diff_density_rms         0.225

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Co8Eu2
_database_code_depnum_ccdc_archive 'CCDC 1576524'
_audit_update_record             
;
2018-06-21 deposited with the CCDC.
2018-06-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            Co8Eu2
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H110 Cl4 Co8 Eu2 N8 O34'
_chemical_formula_weight         2188.53

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'
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'
Cl Cl 0.1484 0.1585 '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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6459(13)
_cell_length_b                   13.2464(14)
_cell_length_c                   14.6900(15)
_cell_angle_alpha                72.037(4)
_cell_angle_beta                 67.296(4)
_cell_angle_gamma                66.086(4)
_cell_volume                     1879.8(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7685
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      27.59

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            PINK
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_F_000             1100
_exptl_transmission_factor_min   0.530
_exptl_transmission_factor_max   0.650
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.586
_shelx_estimated_absorpt_T_min   0.549
_shelx_estimated_absorpt_T_max   0.673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS (Sheldrick,1996)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            50431
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.913
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             6567
_reflns_number_gt                5931
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0957P)²+16.5104P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6567
_refine_ls_number_parameters     450
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0564
_refine_ls_wR_factor_ref         0.1587
_refine_ls_wR_factor_gt          0.1459
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.86240(3) 0.12496(3) 0.18709(2) 0.02828(15) Uani 1 1 d . . . . .
Co1 Co 1.12354(9) -0.05840(8) 0.03019(7) 0.0281(2) Uani 1 1 d . . . . .
Co2 Co 1.05370(10) 0.22578(9) 0.25030(8) 0.0351(3) Uani 1 1 d . . . . .
Co3 Co 0.78789(9) 0.29711(8) 0.31927(7) 0.0301(2) Uani 1 1 d . . . . .
Co4 Co 0.83026(9) -0.10981(8) 0.22416(7) 0.0292(2) Uani 1 1 d . . . . .
N2 N 0.6534(7) -0.1159(6) 0.2773(5) 0.0392(15) Uani 1 1 d . . . . .
H2 H 0.638(9) -0.181(8) 0.287(7) 0.047 Uiso 1 1 d . U . . .
C6 C 0.6496(9) -0.0029(8) 0.3852(7) 0.052(2) Uani 1 1 d . . . . .
H6A H 0.5902 0.0730 0.3734 0.063 Uiso 1 1 d R U . . .
H6B H 0.6563 -0.0183 0.4522 0.063 Uiso 1 1 d R U . . .
C5 C 0.5939(9) -0.0845(8) 0.3781(7) 0.052(2) Uani 1 1 d . . . . .
H5A H 0.6109 -0.1516 0.4285 0.063 Uiso 1 1 d R U . . .
H5B H 0.4992 -0.0506 0.3914 0.063 Uiso 1 1 d R U . . .
O14 O 1.2533(5) -0.0166(4) 0.0676(4) 0.0386(12) Uani 1 1 d . . . . .
O13 O 1.1036(5) 0.1048(4) 0.1671(4) 0.0376(12) Uani 1 1 d . . . . .
O5 O 0.6755(5) 0.2407(4) 0.2999(4) 0.0338(11) Uani 1 1 d . . . . .
O9 O 0.9127(5) 0.3453(5) 0.3343(4) 0.0387(12) Uani 1 1 d . . . . .
C21 C 1.2198(7) 0.0529(6) 0.1220(5) 0.0332(15) Uani 1 1 d . . . . .
H21 H 1.2868 0.0678 0.1295 0.040 Uiso 1 1 d R U . . .
O4 O 0.9944(5) -0.0799(4) 0.1822(3) 0.0295(10) Uani 1 1 d . . . . .
O6 O 0.8935(5) 0.2995(4) 0.1820(4) 0.0341(11) Uani 1 1 d . . . . .
O8 O 0.9033(5) 0.1465(4) 0.3360(4) 0.0328(11) Uani 1 1 d . . . . .
O12 O 0.9873(4) 0.0995(4) 0.0235(3) 0.0277(10) Uani 1 1 d . . . . .
H12E H 1.0219 0.1603 -0.0193 0.033 Uiso 1 1 calc R U . . .
O2 O 0.7749(5) -0.0123(4) 0.3147(4) 0.0350(11) Uani 1 1 d . . . . .
O3 O 0.7703(5) 0.0239(4) 0.1295(4) 0.0316(10) Uani 1 1 d . . . . .
C7 C 0.5847(8) -0.0397(7) 0.2028(7) 0.047(2) Uani 1 1 d . . . . .
H7A H 0.4903 -0.0169 0.2350 0.057 Uiso 1 1 d R U . . .
H7B H 0.6045 -0.0784 0.1496 0.057 Uiso 1 1 d R U . . .
C8 C 0.6293(7) 0.0611(7) 0.1600(7) 0.0410(18) Uani 1 1 d . . . . .
H8A H 0.5978 0.1046 0.1027 0.049 Uiso 1 1 d R U . . .
H8B H 0.5941 0.1084 0.2099 0.049 Uiso 1 1 d R U . . .
Cl2 Cl 1.2102(2) 0.1338(2) 0.33975(19) 0.0560(5) Uani 1 1 d . . . . .
O10 O 1.1628(6) 0.3176(6) 0.1339(5) 0.0545(16) Uani 1 1 d . . . . .
H10C H 1.1490 0.3329 0.0720 0.065 Uiso 1 1 calc R U . . .
O1 O 0.8778(5) -0.2087(4) 0.1345(4) 0.0346(11) Uani 1 1 d . . . . .
O15 O 1.2518(6) -0.2213(5) 0.0536(4) 0.0426(13) Uani 1 1 d . . . . .
N1 N 0.9081(7) -0.2450(5) 0.3119(5) 0.0404(15) Uani 1 1 d . . . . .
H1C H 0.8543 -0.2442 0.3821 0.048 Uiso 1 1 calc R U . . .
N3 N 0.7084(7) 0.2793(6) 0.4636(5) 0.0403(15) Uani 1 1 d . . . . .
H3 H 0.612(10) 0.307(8) 0.495(7) 0.048 Uiso 1 1 d . U . . .
C10 C 0.8806(9) 0.0954(7) 0.4399(6) 0.0416(18) Uani 1 1 d . . . . .
H10A H 0.9453 0.0982 0.4645 0.050 Uiso 1 1 d R U . . .
H10B H 0.8904 0.0173 0.4475 0.050 Uiso 1 1 d R U . . .
C1 C 0.9192(9) -0.3441(7) 0.2786(7) 0.049(2) Uani 1 1 d . . . . .
H1A H 0.8357 -0.3582 0.3066 0.059 Uiso 1 1 d R U . . .
H1B H 0.9858 -0.4101 0.3005 0.059 Uiso 1 1 d R U . . .
C11 C 0.7574(9) 0.3414(7) 0.5008(6) 0.0430(18) Uani 1 1 d . . . . .
H11A H 0.7537 0.3102 0.5705 0.052 Uiso 1 1 d R U . . .
H11B H 0.7021 0.4196 0.4964 0.052 Uiso 1 1 d R U . . .
C9 C 0.7447(9) 0.1560(7) 0.4995(6) 0.047(2) Uani 1 1 d . . . . .
H9A H 0.6817 0.1288 0.4948 0.056 Uiso 1 1 d R U . . .
H9B H 0.7411 0.1398 0.5694 0.056 Uiso 1 1 d R U . . .
C2 C 0.9565(9) -0.3170(7) 0.1658(7) 0.048(2) Uani 1 1 d . . . . .
H2A H 1.0486 -0.3222 0.1381 0.058 Uiso 1 1 d R U . . .
H2B H 0.9443 -0.3710 0.1414 0.058 Uiso 1 1 d R U . . .
N4 N 0.6731(8) 0.4446(6) 0.2788(6) 0.0439(17) Uani 1 1 d . . . . .
H4 H 0.666(11) 0.481(9) 0.308(8) 0.053 Uiso 1 1 d . U . . .
C13 C 0.8643(9) 0.4112(8) 0.1292(7) 0.049(2) Uani 1 1 d . . . . .
H13A H 0.8894 0.4118 0.0580 0.059 Uiso 1 1 d R U . . .
H13B H 0.9147 0.4480 0.1388 0.059 Uiso 1 1 d R U . . .
C17 C 0.5537(8) 0.3214(7) 0.2983(8) 0.050(2) Uani 1 1 d . . . . .
H17A H 0.4858 0.2946 0.3514 0.060 Uiso 1 1 d R U . . .
H17B H 0.5403 0.3290 0.2350 0.060 Uiso 1 1 d R U . . .
C12 C 0.8970(9) 0.3334(8) 0.4380(7) 0.050(2) Uani 1 1 d . . . . .
H12A H 0.9197 0.3918 0.4469 0.060 Uiso 1 1 d R U . . .
H12B H 0.9563 0.2613 0.4601 0.060 Uiso 1 1 d R U . . .
C14 C 0.7195(13) 0.4746(12) 0.1660(10) 0.081(3) Uani 1 1 d . U . . .
H14A H 0.6708 0.4554 0.1368 0.097 Uiso 1 1 d R U . . .
H14B H 0.7044 0.5547 0.1461 0.097 Uiso 1 1 d R U . . .
O16 O 1.2728(6) -0.2690(5) -0.0867(5) 0.0504(15) Uani 1 1 d . . . . .
C15 C 1.2953(9) -0.2880(7) -0.0067(7) 0.048(2) Uani 1 1 d . . . . .
H15 H 1.3502 -0.3596 0.0116 0.057 Uiso 1 1 d R U . . .
C4 C 1.0540(8) -0.1343(7) 0.2619(6) 0.0424(18) Uani 1 1 d . . . . .
H4C H 1.0091 -0.0921 0.3164 0.051 Uiso 1 1 d R U . . .
H4D H 1.1456 -0.1380 0.2373 0.051 Uiso 1 1 d R U . . .
C3 C 1.0450(11) -0.2488(9) 0.2976(9) 0.063(3) Uani 1 1 d . . . . .
H3A H 1.0650 -0.2801 0.3608 0.075 Uiso 1 1 d R U . . .
H3B H 1.1087 -0.2966 0.2495 0.075 Uiso 1 1 d R U . . .
C23 C 1.2536(16) 0.3592(14) 0.1361(9) 0.095(5) Uani 1 1 d . . . . .
H18A H 1.2213 0.4397 0.1222 0.142 Uiso 1 1 calc R U . . .
H18B H 1.3359 0.3326 0.0863 0.142 Uiso 1 1 calc R U . . .
H18C H 1.2664 0.3339 0.2012 0.142 Uiso 1 1 calc R U . . .
Cl3 Cl 0.4121(2) 0.3542(2) 0.6033(2) 0.0620(7) Uani 1 1 d . . . . .
O1W O 0.2454(7) 0.2606(6) 0.9594(5) 0.0588(17) Uani 1 1 d . . . . .
H1WA H 0.3172 0.2745 0.9270 0.088 Uiso 1 1 d R U . . .
H1WB H 0.2601 0.1901 0.9750 0.088 Uiso 1 1 d R U . . .
O18 O 0.7856(13) 0.7202(8) 0.5297(6) 0.094(3) Uani 1 1 d . . . . .
H18 H 0.8085 0.7488 0.5591 0.141 Uiso 1 1 calc R U . . .
O17 O 0.4835(10) 0.8065(14) 0.1030(11) 0.134(5) Uani 1 1 d . . . . .
H17C H 0.4407 0.8579 0.0655 0.160 Uiso 1 1 d R U . . .
C20 C 0.8052(13) 0.6067(12) 0.5730(11) 0.084(4) Uani 1 1 d . . . . .
H20A H 0.8803 0.5772 0.5972 0.126 Uiso 1 1 calc R U . . .
H20B H 0.8201 0.5657 0.5236 0.126 Uiso 1 1 calc R U . . .
H20C H 0.7286 0.5994 0.6278 0.126 Uiso 1 1 calc R U . . .
C19 C 0.441(2) 0.7591(17) 0.1932(15) 0.123(6) Uani 1 1 d . . . . .
H19A H 0.5135 0.7161 0.2200 0.185 Uiso 1 1 calc R U . . .
H19B H 0.3979 0.7102 0.1944 0.185 Uiso 1 1 calc R U . . .
H19C H 0.3796 0.8152 0.2331 0.185 Uiso 1 1 calc R U . . .
C18 C 0.5360(14) 0.4345(12) 0.3099(11) 0.086(4) Uiso 1 1 d . . . . .
H18D H 0.4895 0.4441 0.3791 0.103 Uiso 1 1 calc R U . . .
H18E H 0.4850 0.4919 0.2678 0.103 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Eu1 O12 2.325(4) . ?
Eu1 O2 2.405(5) . ?
Eu1 O5 2.432(5) . ?
Eu1 O16 2.432(6) 2_755 ?
Eu1 O6 2.456(5) . ?
Eu1 O3 2.495(5) . ?
Eu1 O4 2.527(5) . ?
Eu1 O8 2.529(5) . ?
Eu1 O13 2.618(5) . ?
Eu1 Co3 3.0902(10) . ?
Eu1 Co4 3.1384(10) . ?
Eu1 Co1 3.4939(10) 2_755 ?
Co1 O12 2.051(5) . ?
Co1 O12 2.052(5) 2_755 ?
Co1 O15 2.081(5) . ?
Co1 O14 2.097(5) . ?
Co1 O4 2.166(5) . ?
Co1 O3 2.191(5) 2_755 ?
Co1 Co1 2.9958(19) 2_755 ?
Co1 Eu1 3.4939(10) 2_755 ?
Co2 O9 2.064(5) . ?
Co2 O10 2.076(6) . ?
Co2 O13 2.075(5) . ?
Co2 O8 2.174(5) . ?
Co2 O6 2.192(5) . ?
Co2 Cl2 2.365(3) . ?
Co2 Co3 2.7019(14) . ?
Co3 O5 1.887(5) . ?
Co3 O8 1.904(5) . ?
Co3 O6 1.913(5) . ?
Co3 O9 1.913(5) . ?
Co3 N4 1.934(7) . ?
Co3 N3 1.940(7) . ?
Co4 O2 1.891(5) . ?
Co4 O1 1.916(5) . ?
Co4 N2 1.927(7) . ?
Co4 O4 1.935(5) . ?
Co4 O3 1.946(5) . ?
Co4 N1 1.962(6) . ?
N2 C5 1.483(10) . ?
N2 C7 1.482(12) . ?
C6 O2 1.408(9) . ?
C6 C5 1.513(11) . ?
O14 C21 1.249(9) . ?
O13 C21 1.255(9) . ?
O5 C17 1.391(10) . ?
O9 C12 1.427(10) . ?
O4 C4 1.440(10) . ?
O6 C13 1.412(10) . ?
O8 C10 1.432(9) . ?
O12 Co1 2.052(5) 2_755 ?
O3 C8 1.433(9) . ?
O3 Co1 2.191(5) 2_755 ?
C7 C8 1.497(11) . ?
O10 C23 1.391(13) . ?
O1 C2 1.401(10) . ?
O15 C15 1.262(10) . ?
N1 C1 1.479(11) . ?
N1 C3 1.507(13) . ?
N3 C11 1.482(10) . ?
N3 C9 1.485(11) . ?
C10 C9 1.499(12) . ?
C1 C2 1.506(13) . ?
C11 C12 1.506(13) . ?
N4 C14 1.507(15) . ?
N4 C18 1.532(16) . ?
C13 C14 1.507(16) . ?
C17 C18 1.483(17) . ?
O16 C15 1.231(11) . ?
O16 Eu1 2.432(6) 2_755 ?
C4 C3 1.477(13) . ?
O18 C20 1.400(16) . ?
O17 C19 1.28(2) . ?

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
O12 Eu1 O2 124.37(16) . . ?
O12 Eu1 O5 148.54(17) . . ?
O2 Eu1 O5 77.79(16) . . ?
O12 Eu1 O16 76.48(19) . 2_755 ?
O2 Eu1 O16 119.6(2) . 2_755 ?
O5 Eu1 O16 72.74(19) . 2_755 ?
O12 Eu1 O6 98.47(16) . . ?
O2 Eu1 O6 136.23(16) . . ?
O5 Eu1 O6 67.77(16) . . ?
O16 Eu1 O6 75.48(19) 2_755 . ?
O12 Eu1 O3 71.10(16) . . ?
O2 Eu1 O3 64.92(17) . . ?
O5 Eu1 O3 105.94(16) . . ?
O16 Eu1 O3 74.28(18) 2_755 . ?
O6 Eu1 O3 149.56(17) . . ?
O12 Eu1 O4 69.42(15) . . ?
O2 Eu1 O4 62.22(16) . . ?
O5 Eu1 O4 139.24(16) . . ?
O16 Eu1 O4 133.23(17) 2_755 . ?
O6 Eu1 O4 139.39(16) . . ?
O3 Eu1 O4 65.08(16) . . ?
O12 Eu1 O8 135.69(16) . . ?
O2 Eu1 O8 80.06(16) . . ?
O5 Eu1 O8 63.77(17) . . ?
O16 Eu1 O8 126.87(18) 2_755 . ?
O6 Eu1 O8 61.09(16) . . ?
O3 Eu1 O8 144.98(16) . . ?
O4 Eu1 O8 99.89(16) . . ?
O12 Eu1 O13 72.80(16) . . ?
O2 Eu1 O13 115.69(18) . . ?
O5 Eu1 O13 120.81(16) . . ?
O16 Eu1 O13 124.7(2) 2_755 . ?
O6 Eu1 O13 65.27(17) . . ?
O3 Eu1 O13 132.61(15) . . ?
O4 Eu1 O13 74.13(16) . . ?
O8 Eu1 O13 63.00(16) . . ?
O12 Eu1 Co3 136.69(12) . . ?
O2 Eu1 Co3 98.41(11) . . ?
O5 Eu1 Co3 37.64(12) . . ?
O16 Eu1 Co3 88.90(14) 2_755 . ?
O6 Eu1 Co3 38.23(12) . . ?
O3 Eu1 Co3 143.58(11) . . ?
O4 Eu1 Co3 137.81(11) . . ?
O8 Eu1 Co3 37.99(11) . . ?
O13 Eu1 Co3 83.54(11) . . ?
O12 Eu1 Co4 87.55(12) . . ?
O2 Eu1 Co4 36.98(11) . . ?
O5 Eu1 Co4 109.68(12) . . ?
O16 Eu1 Co4 111.79(15) 2_755 . ?
O6 Eu1 Co4 171.62(12) . . ?
O3 Eu1 Co4 38.31(12) . . ?
O4 Eu1 Co4 38.05(11) . . ?
O8 Eu1 Co4 110.54(11) . . ?
O13 Eu1 Co4 111.50(12) . . ?
Co3 Eu1 Co4 135.39(3) . . ?
O12 Eu1 Co1 34.41(12) . 2_755 ?
O2 Eu1 Co1 101.32(12) . 2_755 ?
O5 Eu1 Co1 128.53(13) . 2_755 ?
O16 Eu1 Co1 63.23(14) 2_755 2_755 ?
O6 Eu1 Co1 121.02(12) . 2_755 ?
O3 Eu1 Co1 38.56(11) . 2_755 ?
O4 Eu1 Co1 70.57(11) . 2_755 ?
O8 Eu1 Co1 167.69(11) . 2_755 ?
O13 Eu1 Co1 106.03(11) . 2_755 ?
Co3 Eu1 Co1 151.29(3) . 2_755 ?
Co4 Eu1 Co1 67.03(2) . 2_755 ?
O12 Co1 O12 86.18(19) . 2_755 ?
O12 Co1 O15 173.8(2) . . ?
O12 Co1 O15 95.1(2) 2_755 . ?
O12 Co1 O14 95.63(19) . . ?
O12 Co1 O14 173.1(2) 2_755 . ?
O15 Co1 O14 83.8(2) . . ?
O12 Co1 O4 82.00(18) . . ?
O12 Co1 O4 91.87(18) 2_755 . ?
O15 Co1 O4 91.9(2) . . ?
O14 Co1 O4 95.0(2) . . ?
O12 Co1 O3 92.02(18) . 2_755 ?
O12 Co1 O3 82.74(18) 2_755 2_755 ?
O15 Co1 O3 94.1(2) . 2_755 ?
O14 Co1 O3 90.5(2) . 2_755 ?
O4 Co1 O3 172.23(19) . 2_755 ?
O12 Co1 Co1 43.10(13) . 2_755 ?
O12 Co1 Co1 43.08(13) 2_755 2_755 ?
O15 Co1 Co1 137.89(17) . 2_755 ?
O14 Co1 Co1 138.33(16) . 2_755 ?
O4 Co1 Co1 85.82(13) . 2_755 ?
O3 Co1 Co1 86.42(14) 2_755 2_755 ?
O12 Co1 Eu1 99.41(13) . 2_755 ?
O12 Co1 Eu1 39.83(12) 2_755 2_755 ?
O15 Co1 Eu1 85.37(15) . 2_755 ?
O14 Co1 Eu1 133.25(15) . 2_755 ?
O4 Co1 Eu1 130.72(13) . 2_755 ?
O3 Co1 Eu1 45.22(13) 2_755 2_755 ?
Co1 Co1 Eu1 65.54(3) 2_755 2_755 ?
O12 Co1 Eu1 38.76(13) . . ?
O12 Co1 Eu1 98.05(13) 2_755 . ?
O15 Co1 Eu1 135.07(16) . . ?
O14 Co1 Eu1 87.47(14) . . ?
O4 Co1 Eu1 45.08(13) . . ?
O3 Co1 Eu1 130.00(13) 2_755 . ?
Co1 Co1 Eu1 64.03(3) 2_755 . ?
Eu1 Co1 Eu1 129.57(3) 2_755 . ?
O9 Co2 O10 102.8(2) . . ?
O9 Co2 O13 150.2(2) . . ?
O10 Co2 O13 93.4(2) . . ?
O9 Co2 O8 78.13(19) . . ?
O10 Co2 O8 160.7(2) . . ?
O13 Co2 O8 78.51(19) . . ?
O9 Co2 O6 75.3(2) . . ?
O10 Co2 O6 90.4(2) . . ?
O13 Co2 O6 79.9(2) . . ?
O8 Co2 O6 70.97(19) . . ?
O9 Co2 Cl2 103.08(17) . . ?
O10 Co2 Cl2 96.6(2) . . ?
O13 Co2 Cl2 99.62(17) . . ?
O8 Co2 Cl2 102.00(16) . . ?
O6 Co2 Cl2 172.94(15) . . ?
O9 Co2 Co3 44.90(15) . . ?
O10 Co2 Co3 124.0(2) . . ?
O13 Co2 Co3 105.39(15) . . ?
O8 Co2 Co3 44.36(13) . . ?
O6 Co2 Co3 44.51(13) . . ?
Cl2 Co2 Co3 129.80(8) . . ?
O9 Co2 Eu1 102.57(15) . . ?
O10 Co2 Eu1 116.69(18) . . ?
O13 Co2 Eu1 47.65(15) . . ?
O8 Co2 Eu1 45.55(13) . . ?
O6 Co2 Eu1 43.70(13) . . ?
Cl2 Co2 Eu1 131.50(7) . . ?
Co3 Co2 Eu1 57.80(3) . . ?
O5 Co3 O8 87.5(2) . . ?
O5 Co3 O6 91.7(2) . . ?
O8 Co3 O6 83.2(2) . . ?
O5 Co3 O9 175.7(2) . . ?
O8 Co3 O9 88.9(2) . . ?
O6 Co3 O9 85.6(2) . . ?
O5 Co3 N4 86.2(3) . . ?
O8 Co3 N4 169.2(3) . . ?
O6 Co3 N4 88.3(3) . . ?
O9 Co3 N4 97.1(3) . . ?
O5 Co3 N3 93.9(3) . . ?
O8 Co3 N3 89.1(3) . . ?
O6 Co3 N3 170.3(3) . . ?
O9 Co3 N3 88.3(3) . . ?
N4 Co3 N3 100.0(3) . . ?
O5 Co3 Co2 126.11(15) . . ?
O8 Co3 Co2 52.96(15) . . ?
O6 Co3 Co2 53.45(16) . . ?
O9 Co3 Co2 49.61(16) . . ?
N4 Co3 Co2 125.6(2) . . ?
N3 Co3 Co2 117.0(2) . . ?
O5 Co3 Eu1 51.89(14) . . ?
O8 Co3 Eu1 54.82(15) . . ?
O6 Co3 Eu1 52.64(15) . . ?
O9 Co3 Eu1 123.91(16) . . ?
N4 Co3 Eu1 114.6(2) . . ?
N3 Co3 Eu1 126.40(19) . . ?
Co2 Co3 Eu1 74.49(3) . . ?
O2 Co4 O1 177.2(2) . . ?
O2 Co4 N2 86.4(2) . . ?
O1 Co4 N2 90.9(2) . . ?
O2 Co4 O4 83.6(2) . . ?
O1 Co4 O4 99.2(2) . . ?
N2 Co4 O4 169.5(2) . . ?
O2 Co4 O3 86.6(2) . . ?
O1 Co4 O3 93.2(2) . . ?
N2 Co4 O3 88.3(3) . . ?
O4 Co4 O3 88.2(2) . . ?
O2 Co4 N1 94.9(3) . . ?
O1 Co4 N1 85.6(3) . . ?
N2 Co4 N1 97.1(3) . . ?
O4 Co4 N1 86.7(2) . . ?
O3 Co4 N1 174.5(2) . . ?
O2 Co4 Eu1 49.91(15) . . ?
O1 Co4 Eu1 131.69(15) . . ?
N2 Co4 Eu1 117.0(2) . . ?
O4 Co4 Eu1 53.60(14) . . ?
O3 Co4 Eu1 52.64(14) . . ?
N1 Co4 Eu1 124.9(2) . . ?
C5 N2 C7 114.4(7) . . ?
C5 N2 Co4 108.4(5) . . ?
C7 N2 Co4 106.1(5) . . ?
O2 C6 C5 111.0(6) . . ?
N2 C5 C6 111.1(6) . . ?
C21 O14 Co1 125.3(5) . . ?
C21 O13 Co2 124.0(5) . . ?
C21 O13 Eu1 139.4(5) . . ?
Co2 O13 Eu1 96.48(19) . . ?
C17 O5 Co3 112.6(5) . . ?
C17 O5 Eu1 137.9(5) . . ?
Co3 O5 Eu1 90.47(19) . . ?
C12 O9 Co3 110.5(5) . . ?
C12 O9 Co2 121.7(5) . . ?
Co3 O9 Co2 85.5(2) . . ?
O14 C21 O13 125.7(7) . . ?
C4 O4 Co4 107.8(4) . . ?
C4 O4 Co1 117.8(4) . . ?
Co4 O4 Co1 126.5(2) . . ?
C4 O4 Eu1 113.3(4) . . ?
Co4 O4 Eu1 88.35(18) . . ?
Co1 O4 Eu1 97.55(17) . . ?
C13 O6 Co3 109.4(5) . . ?
C13 O6 Co2 121.2(5) . . ?
Co3 O6 Co2 82.04(19) . . ?
C13 O6 Eu1 137.8(5) . . ?
Co3 O6 Eu1 89.13(18) . . ?
Co2 O6 Eu1 98.25(19) . . ?
C10 O8 Co3 111.3(4) . . ?
C10 O8 Co2 124.7(5) . . ?
Co3 O8 Co2 82.68(18) . . ?
C10 O8 Eu1 135.7(5) . . ?
Co3 O8 Eu1 87.19(19) . . ?
Co2 O8 Eu1 96.58(18) . . ?
Co1 O12 Co1 93.82(19) . 2_755 ?
Co1 O12 Eu1 107.7(2) . . ?
Co1 O12 Eu1 105.76(19) 2_755 . ?
C6 O2 Co4 115.3(5) . . ?
C6 O2 Eu1 131.8(5) . . ?
Co4 O2 Eu1 93.10(19) . . ?
C8 O3 Co4 108.3(4) . . ?
C8 O3 Co1 118.7(5) . 2_755 ?
Co4 O3 Co1 125.2(2) . 2_755 ?
C8 O3 Eu1 113.7(4) . . ?
Co4 O3 Eu1 89.06(19) . . ?
Co1 O3 Eu1 96.22(17) 2_755 . ?
N2 C7 C8 109.2(7) . . ?
O3 C8 C7 108.6(6) . . ?
C23 O10 Co2 128.7(7) . . ?
C2 O1 Co4 111.9(5) . . ?
C15 O15 Co1 123.1(6) . . ?
C1 N1 C3 108.2(7) . . ?
C1 N1 Co4 108.1(5) . . ?
C3 N1 Co4 107.8(5) . . ?
C11 N3 C9 116.7(7) . . ?
C11 N3 Co3 107.0(5) . . ?
C9 N3 Co3 104.7(5) . . ?
O8 C10 C9 110.0(7) . . ?
N1 C1 C2 106.5(6) . . ?
N3 C11 C12 109.4(6) . . ?
N3 C9 C10 111.7(7) . . ?
O1 C2 C1 110.0(7) . . ?
C14 N4 C18 108.2(9) . . ?
C14 N4 Co3 108.2(6) . . ?
C18 N4 Co3 106.5(7) . . ?
O6 C13 C14 110.6(8) . . ?
O5 C17 C18 115.6(9) . . ?
O9 C12 C11 110.9(7) . . ?
N4 C14 C13 108.8(9) . . ?
C15 O16 Eu1 140.8(6) . 2_755 ?
O16 C15 O15 127.3(8) . . ?
O4 C4 C3 108.2(7) . . ?
C4 C3 N1 109.9(8) . . ?
C17 C18 N4 107.6(10) . . ?

_refine_diff_density_max         4.829
_refine_diff_density_min         -1.237
_refine_diff_density_rms         0.192

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Co8Dy2
_database_code_depnum_ccdc_archive 'CCDC 1850866'
_audit_update_record             
;
2018-06-21 deposited with the CCDC.
2018-06-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            Co8Dy2
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H102 Cl4 Co8 Dy2 N8 O34'
_chemical_formula_weight         2201.55

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'
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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.604(8)
_cell_length_b                   13.227(9)
_cell_length_c                   14.653(9)
_cell_angle_alpha                72.181(7)
_cell_angle_beta                 67.638(7)
_cell_angle_gamma                65.939(7)
_cell_volume                     1869(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9888
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      28.41

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.956
_exptl_crystal_F_000             1098
_exptl_transmission_factor_min   0.560
_exptl_transmission_factor_max   0.624
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.928
_shelx_estimated_absorpt_T_min   0.590
_shelx_estimated_absorpt_T_max   0.650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS (Sheldrick,1996)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26311
_diffrn_reflns_av_unetI/netI     0.0422
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.817
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_full        24.995
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             6499
_reflns_number_gt                5431
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0777P)²+10.6977P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6499
_refine_ls_number_parameters     442
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0506
_refine_ls_wR_factor_ref         0.1447
_refine_ls_wR_factor_gt          0.1282
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.63785(3) 0.37566(3) 0.31348(2) 0.03192(14) Uani 1 1 d . . . . .
Co1 Co 0.62411(9) 0.44127(8) 0.53052(7) 0.0310(2) Uani 1 1 d . . . . .
Co4 Co 0.66913(10) 0.60908(8) 0.27656(7) 0.0319(2) Uani 1 1 d . . . . .
Co3 Co 0.71247(10) 0.20390(8) 0.18226(8) 0.0342(3) Uani 1 1 d . . . . .
Co2 Co 0.44560(10) 0.27523(9) 0.25003(8) 0.0383(3) Uani 1 1 d . . . . .
Cl1 Cl 0.2885(2) 0.3668(2) 0.1595(2) 0.0599(6) Uani 1 1 d . . . . .
O9 O 0.5136(5) 0.4002(4) 0.4751(3) 0.0293(11) Uani 1 1 d . . . . .
H9C H 0.4795 0.3392 0.5173 0.035 Uiso 1 1 calc R U . . .
O12 O 0.7249(5) 0.5101(4) 0.1866(4) 0.0380(13) Uani 1 1 d . . . . .
O11 O 0.6215(5) 0.7083(4) 0.3670(4) 0.0375(12) Uani 1 1 d . . . . .
O14 O 0.7555(5) 0.4819(5) 0.5678(4) 0.0434(13) Uani 1 1 d . . . . .
O3 O 0.5976(5) 0.3549(4) 0.1648(4) 0.0363(12) Uani 1 1 d . . . . .
O13 O 0.7295(5) 0.4746(4) 0.3710(4) 0.0347(12) Uani 1 1 d . . . . .
O5 O 0.6073(5) 0.2027(4) 0.3199(4) 0.0364(12) Uani 1 1 d . . . . .
O6 O 0.3957(5) 0.3963(5) 0.3326(4) 0.0416(13) Uani 1 1 d . . . . .
O1 O 0.3369(6) 0.1826(6) 0.3647(5) 0.0566(17) Uani 1 1 d . . . . .
H1C H 0.3483 0.1693 0.4217 0.068 Uiso 1 1 d R U . . .
O8 O 0.7526(6) 0.2769(5) 0.5548(5) 0.0494(15) Uani 1 1 d . . . . .
O4 O 0.8238(5) 0.2610(4) 0.2022(4) 0.0372(12) Uani 1 1 d . . . . .
O10 O 0.5051(5) 0.5784(4) 0.3176(4) 0.0325(11) Uani 1 1 d . . . . .
O2 O 0.5878(6) 0.1552(5) 0.1670(4) 0.0430(13) Uani 1 1 d . . . . .
N1 N 0.7910(7) 0.2209(6) 0.0384(5) 0.0434(17) Uani 1 1 d . . . . .
H1D H 0.8872 0.1876 0.0234 0.052 Uiso 1 1 calc R U . . .
N3 N 0.5919(8) 0.7441(6) 0.1879(5) 0.0448(17) Uani 1 1 d . . . . .
C11 C 0.7214(7) 0.5513(6) 0.6226(6) 0.0362(17) Uani 1 1 d . . . . .
H11A H 0.7983 0.5555 0.6294 0.054 Uiso 1 1 d R U . . .
N2 N 0.8272(7) 0.0566(6) 0.2229(5) 0.0459(17) Uani 1 1 d . . . . .
H2C H 0.8306 0.0009 0.1897 0.055 Uiso 1 1 calc R U . . .
N4 N 0.8466(7) 0.6159(6) 0.2237(5) 0.0419(16) Uani 1 1 d . . . . .
C12 C 0.4451(9) 0.6332(7) 0.2382(6) 0.045(2) Uani 1 1 d . . . . .
H12A H 0.3536 0.6365 0.2623 0.054 Uiso 1 1 d R U . . .
H12B H 0.4908 0.5914 0.1834 0.054 Uiso 1 1 d R U . . .
C15 C 0.5431(10) 0.8182(7) 0.3352(7) 0.054(2) Uani 1 1 d . . . . .
H15A H 0.5558 0.8719 0.3600 0.065 Uiso 1 1 d R U . . .
H15B H 0.4506 0.8243 0.3622 0.065 Uiso 1 1 d R U . . .
C19 C 0.9149(9) 0.5380(8) 0.2991(7) 0.052(2) Uani 1 1 d . . . . .
H19A H 0.8949 0.5765 0.3527 0.063 Uiso 1 1 d R U . . .
H19B H 1.0097 0.5144 0.2678 0.063 Uiso 1 1 d R U . . .
C3 C 0.7423(10) 0.1574(8) 0.0021(7) 0.051(2) Uani 1 1 d . . . . .
H3A H 0.7976 0.0789 0.0073 0.062 Uiso 1 1 d R U . . .
H3B H 0.7467 0.1877 -0.0679 0.062 Uiso 1 1 d R U . . .
C9 C 0.9472(9) 0.1791(7) 0.2049(8) 0.055(2) Uani 1 1 d . . . . .
H9A H 0.9624 0.1739 0.2671 0.066 Uiso 1 1 d R U . . .
H9B H 1.0151 0.2039 0.1502 0.066 Uiso 1 1 d R U . . .
C14 C 0.5810(10) 0.8442(7) 0.2229(7) 0.049(2) Uani 1 1 d . . . . .
H14A H 0.6648 0.8580 0.1959 0.059 Uiso 1 1 d R U . . .
H14B H 0.5145 0.9109 0.2006 0.059 Uiso 1 1 d R U . . .
C18 C 0.8710(8) 0.4373(7) 0.3413(7) 0.045(2) Uani 1 1 d . . . . .
H18A H 0.9067 0.3900 0.2912 0.054 Uiso 1 1 d R U . . .
H18B H 0.9025 0.3936 0.3988 0.054 Uiso 1 1 d R U . . .
C16 C 0.8515(9) 0.5011(8) 0.1153(7) 0.054(2) Uani 1 1 d . . . . .
H16A H 0.8445 0.5164 0.0482 0.065 Uiso 1 1 d R U . . .
H16B H 0.9115 0.4250 0.1271 0.065 Uiso 1 1 d R U . . .
C17 C 0.9058(9) 0.5832(9) 0.1233(7) 0.055(3) Uani 1 1 d . . . . .
H17A H 1.0007 0.5493 0.1102 0.066 Uiso 1 1 d R U . . .
H17B H 0.8884 0.6501 0.0726 0.066 Uiso 1 1 d R U . . .
C6 C 0.6348(9) 0.0923(8) 0.3729(7) 0.051(2) Uani 1 1 d . . . . .
H6A H 0.5803 0.0569 0.3665 0.062 Uiso 1 1 d R U . . .
H6B H 0.6138 0.0931 0.4435 0.062 Uiso 1 1 d R U . . .
C4 C 0.6035(10) 0.1662(9) 0.0624(7) 0.054(2) Uani 1 1 d . . . . .
H4A H 0.5441 0.2382 0.0395 0.065 Uiso 1 1 d R U . . .
H4B H 0.5813 0.1073 0.0535 0.065 Uiso 1 1 d R U . . .
C13 C 0.4527(11) 0.7492(9) 0.2028(9) 0.066(3) Uani 1 1 d . . . . .
H13A H 0.3900 0.7962 0.2519 0.079 Uiso 1 1 d R U . . .
H13B H 0.4308 0.7818 0.1401 0.079 Uiso 1 1 d R U . . .
C7 C 0.7805(15) 0.0254(13) 0.3330(11) 0.097(4) Uani 1 1 d . U . . .
H7A H 0.8324 0.0401 0.3629 0.117 Uiso 1 1 d R U . . .
H7B H 0.7924 -0.0544 0.3515 0.117 Uiso 1 1 d R U . . .
C8 C 0.9617(16) 0.0655(13) 0.1972(13) 0.101(4) Uani 1 1 d . U . . .
H8A H 1.0091 0.0090 0.2425 0.121 Uiso 1 1 d R U . . .
H8B H 1.0121 0.0522 0.1294 0.121 Uiso 1 1 d R U . . .
C5 C 0.2481(15) 0.1380(14) 0.3622(11) 0.097(5) Uani 1 1 d . . . . .
H5A H 0.2136 0.0986 0.4275 0.146 Uiso 1 1 d R U . . .
H5B H 0.2935 0.0869 0.3155 0.146 Uiso 1 1 d R U . . .
H5C H 0.1768 0.1979 0.3407 0.146 Uiso 1 1 d R U . . .
O7 O 0.7719(6) 0.2328(5) 0.4130(5) 0.0529(16) Uani 1 1 d . . . . .
C10 C 0.7939(9) 0.2131(7) 0.4934(7) 0.047(2) Uani 1 1 d . . . . .
H10A H 0.8498 0.1382 0.5120 0.056 Uiso 1 1 d R U . . .
Cl2 Cl 0.0854(3) 0.1472(2) 0.8937(2) 0.0799(10) Uani 1 1 d . . . . .
C1 C 0.6201(9) 0.4062(7) 0.0618(6) 0.046(2) Uani 1 1 d . . . . .
H1A H 0.6123 0.4839 0.0546 0.056 Uiso 1 1 d R U . . .
H1B H 0.5540 0.4055 0.0370 0.056 Uiso 1 1 d R U . . .
C2 C 0.7556(10) 0.3440(7) 0.0014(6) 0.050(2) Uani 1 1 d . . . . .
H2A H 0.7580 0.3596 -0.0683 0.059 Uiso 1 1 d R U . . .
H2B H 0.8199 0.3709 0.0050 0.059 Uiso 1 1 d R U . . .
O1W O 0.2508(7) 0.2412(6) 0.5400(5) 0.0651(19) Uani 1 1 d . . . . .
H1WA H 0.2753 0.2954 0.5359 0.098 Uiso 1 1 d R U . . .
H1WB H 0.2819 0.1861 0.5821 0.098 Uiso 1 1 d R U . . .
O15 O 0.7173(11) 0.7801(8) 0.9704(7) 0.099(3) Uani 1 1 d D U . . .
H15C H 0.6710 0.7493 0.9626 0.119 Uiso 1 1 d R U . . .
C20 C 0.6945(14) 0.8949(9) 0.9273(11) 0.089(4) Uani 1 1 d D U . . .
H20A H 0.6980 0.9308 0.9737 0.134 Uiso 1 1 d R U . . .
H20B H 0.6095 0.9296 0.9158 0.134 Uiso 1 1 d R U . . .
H20C H 0.7620 0.9029 0.8651 0.134 Uiso 1 1 d R U . . .
O16 O 0.9844(12) 0.3049(12) 0.5998(11) 0.141(4) Uani 1 1 d D U . . .
H16C H 1.0663 0.3137 0.5912 0.169 Uiso 1 1 d R U . . .
C21 C 0.937(2) 0.2521(16) 0.6970(13) 0.132(6) Uani 1 1 d D U . . .
H21A H 0.9958 0.2350 0.7350 0.198 Uiso 1 1 d R U . . .
H21B H 0.9282 0.1837 0.6947 0.198 Uiso 1 1 d R U . . .
H21C H 0.8515 0.3013 0.7283 0.198 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O9 2.299(5) . ?
Dy1 O12 2.377(5) . ?
Dy1 O4 2.405(5) . ?
Dy1 O7 2.400(7) . ?
Dy1 O5 2.424(5) . ?
Dy1 O13 2.459(5) . ?
Dy1 O10 2.495(5) . ?
Dy1 O3 2.506(6) . ?
Dy1 O6 2.621(6) . ?
Dy1 Co3 3.0677(18) . ?
Dy1 Co4 3.114(2) . ?
Dy1 Co1 3.476(2) . ?
Co1 O9 2.054(5) 2_666 ?
Co1 O9 2.056(5) . ?
Co1 O8 2.088(6) . ?
Co1 O14 2.096(6) . ?
Co1 O10 2.166(5) 2_666 ?
Co1 O13 2.188(5) . ?
Co1 Co1 2.995(3) 2_666 ?
Co4 O12 1.893(5) . ?
Co4 O11 1.923(5) . ?
Co4 N4 1.935(7) . ?
Co4 O10 1.939(5) . ?
Co4 O13 1.945(6) . ?
Co4 N3 1.960(7) . ?
Co3 O4 1.883(5) . ?
Co3 O3 1.900(5) . ?
Co3 O2 1.911(6) . ?
Co3 O5 1.918(5) . ?
Co3 N2 1.924(7) . ?
Co3 N1 1.933(7) . ?
Co3 Co2 2.705(2) . ?
Co2 O2 2.060(5) . ?
Co2 O6 2.064(5) . ?
Co2 O1 2.074(6) . ?
Co2 O3 2.194(5) . ?
Co2 O5 2.209(6) . ?
Co2 Cl1 2.368(3) . ?
O9 Co1 2.054(5) 2_666 ?
O9 H9C 0.9800 . ?
O12 C16 1.425(9) . ?
O11 C15 1.410(11) . ?
O14 C11 1.248(9) . ?
O3 C1 1.423(10) . ?
O13 C18 1.434(10) . ?
O5 C6 1.397(11) . ?
O6 C11 1.262(9) 2_666 ?
O1 C5 1.397(12) . ?
O1 H1C 0.8498 . ?
O8 C10 1.248(11) . ?
O4 C9 1.406(11) . ?
O10 C12 1.433(10) . ?
O10 Co1 2.166(5) 2_666 ?
O2 C4 1.440(11) . ?
N1 C3 1.483(11) . ?
N1 C2 1.483(11) . ?
N1 H1D 0.9800 . ?
N3 C14 1.505(11) . ?
N3 C13 1.521(13) . ?
C11 O6 1.262(9) 2_666 ?
C11 H11A 0.9601 . ?
N2 C7 1.475(16) . ?
N2 C8 1.506(16) . ?
N2 H2C 0.9800 . ?
N4 C17 1.483(10) . ?
N4 C19 1.489(13) . ?
C12 C13 1.490(13) . ?
C12 H12A 0.9698 . ?
C12 H12B 0.9699 . ?
C15 C14 1.499(13) . ?
C15 H15A 0.9697 . ?
C15 H15B 0.9701 . ?
C19 C18 1.491(12) . ?
C19 H19A 0.9698 . ?
C19 H19B 0.9699 . ?
C3 C4 1.489(13) . ?
C3 H3A 0.9697 . ?
C3 H3B 0.9699 . ?
C9 C8 1.477(17) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C16 C17 1.511(12) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9699 . ?
C6 C7 1.526(17) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9701 . ?
C4 H4A 0.9701 . ?
C4 H4B 0.9700 . ?
C13 H13A 0.9701 . ?
C13 H13B 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9699 . ?
C8 H8B 0.9701 . ?
C5 H5A 0.9599 . ?
C5 H5B 0.9601 . ?
C5 H5C 0.9601 . ?
O7 C10 1.228(11) . ?
C10 H10A 0.9600 . ?
C1 C2 1.504(12) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9699 . ?
C2 H2A 0.9703 . ?
C2 H2B 0.9700 . ?
O1W H1WA 0.8501 . ?
O1W H1WB 0.8500 . ?
O15 C20 1.410(9) . ?
O15 H15C 0.8499 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9599 . ?
C20 H20C 0.9600 . ?
O16 C21 1.389(9) . ?
O16 H16C 0.9599 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9601 . ?

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
O9 Dy1 O12 125.31(16) . . ?
O9 Dy1 O4 148.46(19) . . ?
O12 Dy1 O4 77.10(18) . . ?
O9 Dy1 O7 76.5(2) . . ?
O12 Dy1 O7 119.6(2) . . ?
O4 Dy1 O7 72.7(2) . . ?
O9 Dy1 O5 97.55(17) . . ?
O12 Dy1 O5 136.24(17) . . ?
O4 Dy1 O5 68.33(17) . . ?
O7 Dy1 O5 74.9(2) . . ?
O9 Dy1 O13 71.55(17) . . ?
O12 Dy1 O13 65.42(18) . . ?
O4 Dy1 O13 105.53(18) . . ?
O7 Dy1 O13 74.2(2) . . ?
O5 Dy1 O13 148.90(19) . . ?
O9 Dy1 O10 69.75(16) . . ?
O12 Dy1 O10 62.85(17) . . ?
O4 Dy1 O10 139.15(17) . . ?
O7 Dy1 O10 133.78(18) . . ?
O5 Dy1 O10 138.96(18) . . ?
O13 Dy1 O10 65.84(17) . . ?
O9 Dy1 O3 135.59(17) . . ?
O12 Dy1 O3 79.35(17) . . ?
O4 Dy1 O3 63.86(18) . . ?
O7 Dy1 O3 126.89(19) . . ?
O5 Dy1 O3 61.92(17) . . ?
O13 Dy1 O3 144.77(16) . . ?
O10 Dy1 O3 99.33(17) . . ?
O9 Dy1 O6 72.51(17) . . ?
O12 Dy1 O6 115.74(19) . . ?
O4 Dy1 O6 121.04(17) . . ?
O7 Dy1 O6 124.6(2) . . ?
O5 Dy1 O6 65.30(17) . . ?
O13 Dy1 O6 132.81(16) . . ?
O10 Dy1 O6 73.67(16) . . ?
O3 Dy1 O6 63.18(17) . . ?
O9 Dy1 Co3 136.24(12) . . ?
O12 Dy1 Co3 97.92(12) . . ?
O4 Dy1 Co3 37.85(13) . . ?
O7 Dy1 Co3 88.70(15) . . ?
O5 Dy1 Co3 38.70(12) . . ?
O13 Dy1 Co3 143.37(12) . . ?
O10 Dy1 Co3 137.48(12) . . ?
O3 Dy1 Co3 38.20(12) . . ?
O6 Dy1 Co3 83.57(11) . . ?
O9 Dy1 Co4 88.08(12) . . ?
O12 Dy1 Co4 37.38(12) . . ?
O4 Dy1 Co4 109.37(13) . . ?
O7 Dy1 Co4 112.05(15) . . ?
O5 Dy1 Co4 172.01(13) . . ?
O13 Dy1 Co4 38.65(13) . . ?
O10 Dy1 Co4 38.48(12) . . ?
O3 Dy1 Co4 110.11(12) . . ?
O6 Dy1 Co4 111.48(12) . . ?
Co3 Dy1 Co4 135.30(4) . . ?
O9 Dy1 Co1 34.70(13) . . ?
O12 Dy1 Co1 101.98(13) . . ?
O4 Dy1 Co1 128.31(14) . . ?
O7 Dy1 Co1 63.17(15) . . ?
O5 Dy1 Co1 120.25(13) . . ?
O13 Dy1 Co1 38.69(11) . . ?
O10 Dy1 Co1 71.13(12) . . ?
O3 Dy1 Co1 167.82(12) . . ?
O6 Dy1 Co1 106.01(12) . . ?
Co3 Dy1 Co1 151.02(3) . . ?
Co4 Dy1 Co1 67.39(3) . . ?
O9 Co1 O9 86.4(2) 2_666 . ?
O9 Co1 O8 173.1(2) 2_666 . ?
O9 Co1 O8 94.9(2) . . ?
O9 Co1 O14 95.9(2) 2_666 . ?
O9 Co1 O14 172.3(2) . . ?
O8 Co1 O14 83.6(2) . . ?
O9 Co1 O10 81.15(19) 2_666 2_666 ?
O9 Co1 O10 92.61(19) . 2_666 ?
O8 Co1 O10 92.0(2) . 2_666 ?
O14 Co1 O10 95.0(2) . 2_666 ?
O9 Co1 O13 92.63(19) 2_666 . ?
O9 Co1 O13 81.94(19) . . ?
O8 Co1 O13 94.3(2) . . ?
O14 Co1 O13 90.6(2) . . ?
O10 Co1 O13 172.0(2) 2_666 . ?
O9 Co1 Co1 43.26(14) 2_666 2_666 ?
O9 Co1 Co1 43.18(14) . 2_666 ?
O8 Co1 Co1 137.67(18) . 2_666 ?
O14 Co1 Co1 138.69(17) . 2_666 ?
O10 Co1 Co1 85.74(15) 2_666 2_666 ?
O13 Co1 Co1 86.29(15) . 2_666 ?
O9 Co1 Dy1 99.68(14) 2_666 . ?
O9 Co1 Dy1 39.52(12) . . ?
O8 Co1 Dy1 85.54(17) . . ?
O14 Co1 Dy1 132.74(15) . . ?
O10 Co1 Dy1 131.26(14) 2_666 . ?
O13 Co1 Dy1 44.64(13) . . ?
Co1 Co1 Dy1 65.52(4) 2_666 . ?
O12 Co4 O11 177.2(2) . . ?
O12 Co4 N4 86.7(3) . . ?
O11 Co4 N4 90.6(2) . . ?
O12 Co4 O10 83.1(2) . . ?
O11 Co4 O10 99.6(2) . . ?
N4 Co4 O10 169.5(2) . . ?
O12 Co4 O13 85.8(2) . . ?
O11 Co4 O13 93.3(2) . . ?
N4 Co4 O13 88.8(3) . . ?
O10 Co4 O13 87.8(2) . . ?
O12 Co4 N3 95.1(3) . . ?
O11 Co4 N3 86.1(3) . . ?
N4 Co4 N3 96.4(3) . . ?
O10 Co4 N3 87.2(3) . . ?
O13 Co4 N3 174.8(3) . . ?
O12 Co4 Dy1 49.66(15) . . ?
O11 Co4 Dy1 131.43(16) . . ?
N4 Co4 Dy1 117.4(2) . . ?
O10 Co4 Dy1 53.21(15) . . ?
O13 Co4 Dy1 52.14(15) . . ?
N3 Co4 Dy1 125.1(2) . . ?
O4 Co3 O3 86.8(2) . . ?
O4 Co3 O2 175.5(2) . . ?
O3 Co3 O2 89.4(2) . . ?
O4 Co3 O5 91.0(2) . . ?
O3 Co3 O5 83.3(2) . . ?
O2 Co3 O5 86.0(2) . . ?
O4 Co3 N2 86.7(3) . . ?
O3 Co3 N2 169.3(3) . . ?
O2 Co3 N2 96.7(3) . . ?
O5 Co3 N2 88.3(3) . . ?
O4 Co3 N1 94.3(3) . . ?
O3 Co3 N1 89.0(3) . . ?
O2 Co3 N1 88.2(3) . . ?
O5 Co3 N1 170.4(3) . . ?
N2 Co3 N1 100.0(3) . . ?
O4 Co3 Co2 126.07(15) . . ?
O3 Co3 Co2 53.51(15) . . ?
O2 Co3 Co2 49.43(17) . . ?
O5 Co3 Co2 53.88(17) . . ?
N2 Co3 Co2 125.4(2) . . ?
N1 Co3 Co2 116.7(2) . . ?
O4 Co3 Dy1 51.62(15) . . ?
O3 Co3 Dy1 54.69(17) . . ?
O2 Co3 Dy1 123.95(16) . . ?
O5 Co3 Dy1 52.19(15) . . ?
N2 Co3 Dy1 114.7(2) . . ?
N1 Co3 Dy1 126.6(2) . . ?
Co2 Co3 Dy1 74.73(3) . . ?
O2 Co2 O6 149.8(2) . . ?
O2 Co2 O1 102.3(2) . . ?
O6 Co2 O1 94.2(2) . . ?
O2 Co2 O3 78.0(2) . . ?
O6 Co2 O3 78.2(2) . . ?
O1 Co2 O3 160.9(3) . . ?
O2 Co2 O5 75.4(2) . . ?
O6 Co2 O5 79.2(2) . . ?
O1 Co2 O5 91.0(2) . . ?
O3 Co2 O5 70.4(2) . . ?
O2 Co2 Cl1 103.24(19) . . ?
O6 Co2 Cl1 99.83(19) . . ?
O1 Co2 Cl1 96.2(2) . . ?
O3 Co2 Cl1 102.33(17) . . ?
O5 Co2 Cl1 172.71(15) . . ?
O2 Co2 Co3 44.80(15) . . ?
O6 Co2 Co3 105.08(16) . . ?
O1 Co2 Co3 124.0(2) . . ?
O3 Co2 Co3 44.11(14) . . ?
O5 Co2 Co3 44.55(14) . . ?
Cl1 Co2 Co3 129.80(9) . . ?
Co1 O9 Co1 93.56(19) 2_666 . ?
Co1 O9 Dy1 108.1(2) 2_666 . ?
Co1 O9 Dy1 105.8(2) . . ?
Co1 O9 H9C 115.6 2_666 . ?
Co1 O9 H9C 115.6 . . ?
Dy1 O9 H9C 115.6 . . ?
C16 O12 Co4 115.0(5) . . ?
C16 O12 Dy1 132.5(5) . . ?
Co4 O12 Dy1 93.0(2) . . ?
C15 O11 Co4 112.1(5) . . ?
C11 O14 Co1 124.5(5) . . ?
C1 O3 Co3 111.7(5) . . ?
C1 O3 Co2 124.7(5) . . ?
Co3 O3 Co2 82.4(2) . . ?
C1 O3 Dy1 135.6(5) . . ?
Co3 O3 Dy1 87.1(2) . . ?
Co2 O3 Dy1 96.58(19) . . ?
C18 O13 Co4 108.2(5) . . ?
C18 O13 Co1 118.3(5) . . ?
Co4 O13 Co1 125.1(2) . . ?
C18 O13 Dy1 114.2(4) . . ?
Co4 O13 Dy1 89.2(2) . . ?
Co1 O13 Dy1 96.67(18) . . ?
C6 O5 Co3 109.7(5) . . ?
C6 O5 Co2 120.1(5) . . ?
Co3 O5 Co2 81.6(2) . . ?
C6 O5 Dy1 138.4(5) . . ?
Co3 O5 Dy1 89.11(19) . . ?
Co2 O5 Dy1 98.6(2) . . ?
C11 O6 Co2 123.8(5) 2_666 . ?
C11 O6 Dy1 139.5(5) 2_666 . ?
Co2 O6 Dy1 96.5(2) . . ?
C5 O1 Co2 129.6(7) . . ?
C5 O1 H1C 114.9 . . ?
Co2 O1 H1C 115.4 . . ?
C10 O8 Co1 121.3(6) . . ?
C9 O4 Co3 112.3(5) . . ?
C9 O4 Dy1 137.6(5) . . ?
Co3 O4 Dy1 90.5(2) . . ?
C12 O10 Co4 107.7(4) . . ?
C12 O10 Co1 117.7(5) . 2_666 ?
Co4 O10 Co1 126.0(3) . 2_666 ?
C12 O10 Dy1 114.0(5) . . ?
Co4 O10 Dy1 88.30(19) . . ?
Co1 O10 Dy1 98.03(18) 2_666 . ?
C4 O2 Co3 110.7(5) . . ?
C4 O2 Co2 121.7(5) . . ?
Co3 O2 Co2 85.8(2) . . ?
C3 N1 C2 117.3(8) . . ?
C3 N1 Co3 106.8(5) . . ?
C2 N1 Co3 105.3(5) . . ?
C3 N1 H1D 109.1 . . ?
C2 N1 H1D 109.1 . . ?
Co3 N1 H1D 109.1 . . ?
C14 N3 C13 107.7(7) . . ?
C14 N3 Co4 107.3(5) . . ?
C13 N3 Co4 107.6(5) . . ?
O14 C11 O6 125.8(7) . 2_666 ?
O14 C11 H11A 109.7 . . ?
O6 C11 H11A 124.4 2_666 . ?
C7 N2 C8 107.0(11) . . ?
C7 N2 Co3 108.6(7) . . ?
C8 N2 Co3 107.2(7) . . ?
C7 N2 H2C 111.3 . . ?
C8 N2 H2C 111.3 . . ?
Co3 N2 H2C 111.3 . . ?
C17 N4 C19 114.1(7) . . ?
C17 N4 Co4 107.9(5) . . ?
C19 N4 Co4 105.1(5) . . ?
O10 C12 C13 108.7(8) . . ?
O10 C12 H12A 110.0 . . ?
C13 C12 H12A 109.9 . . ?
O10 C12 H12B 110.0 . . ?
C13 C12 H12B 109.9 . . ?
H12A C12 H12B 108.4 . . ?
O11 C15 C14 109.7(7) . . ?
O11 C15 H15A 109.8 . . ?
C14 C15 H15A 109.7 . . ?
O11 C15 H15B 109.7 . . ?
C14 C15 H15B 109.8 . . ?
H15A C15 H15B 108.2 . . ?
N4 C19 C18 110.1(7) . . ?
N4 C19 H19A 109.6 . . ?
C18 C19 H19A 109.6 . . ?
N4 C19 H19B 109.7 . . ?
C18 C19 H19B 109.6 . . ?
H19A C19 H19B 108.2 . . ?
N1 C3 C4 110.0(7) . . ?
N1 C3 H3A 110.0 . . ?
C4 C3 H3A 109.6 . . ?
N1 C3 H3B 109.4 . . ?
C4 C3 H3B 109.7 . . ?
H3A C3 H3B 108.1 . . ?
O4 C9 C8 114.9(9) . . ?
O4 C9 H9A 108.8 . . ?
C8 C9 H9A 108.3 . . ?
O4 C9 H9B 108.3 . . ?
C8 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C15 C14 N3 107.3(7) . . ?
C15 C14 H14A 110.3 . . ?
N3 C14 H14A 110.3 . . ?
C15 C14 H14B 110.2 . . ?
N3 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
O13 C18 C19 108.6(7) . . ?
O13 C18 H18A 109.9 . . ?
C19 C18 H18A 109.9 . . ?
O13 C18 H18B 110.0 . . ?
C19 C18 H18B 110.0 . . ?
H18A C18 H18B 108.3 . . ?
O12 C16 C17 110.6(6) . . ?
O12 C16 H16A 109.6 . . ?
C17 C16 H16A 109.5 . . ?
O12 C16 H16B 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
N4 C17 C16 112.1(6) . . ?
N4 C17 H17A 109.2 . . ?
C16 C17 H17A 109.2 . . ?
N4 C17 H17B 109.2 . . ?
C16 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
O5 C6 C7 110.2(8) . . ?
O5 C6 H6A 109.7 . . ?
C7 C6 H6A 109.9 . . ?
O5 C6 H6B 109.5 . . ?
C7 C6 H6B 109.4 . . ?
H6A C6 H6B 108.1 . . ?
O2 C4 C3 110.0(8) . . ?
O2 C4 H4A 109.9 . . ?
C3 C4 H4A 109.6 . . ?
O2 C4 H4B 109.5 . . ?
C3 C4 H4B 109.6 . . ?
H4A C4 H4B 108.2 . . ?
C12 C13 N3 109.1(8) . . ?
C12 C13 H13A 109.8 . . ?
N3 C13 H13A 109.8 . . ?
C12 C13 H13B 109.9 . . ?
N3 C13 H13B 109.9 . . ?
H13A C13 H13B 108.3 . . ?
N2 C7 C6 110.5(11) . . ?
N2 C7 H7A 109.4 . . ?
C6 C7 H7A 109.8 . . ?
N2 C7 H7B 109.6 . . ?
C6 C7 H7B 109.4 . . ?
H7A C7 H7B 108.1 . . ?
C9 C8 N2 109.5(11) . . ?
C9 C8 H8A 110.1 . . ?
N2 C8 H8A 109.9 . . ?
C9 C8 H8B 109.5 . . ?
N2 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
O1 C5 H5A 110.2 . . ?
O1 C5 H5B 108.7 . . ?
H5A C5 H5B 109.5 . . ?
O1 C5 H5C 109.4 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C10 O7 Dy1 140.9(6) . . ?
O7 C10 O8 128.8(8) . . ?
O7 C10 H10A 115.7 . . ?
O8 C10 H10A 115.5 . . ?
O3 C1 C2 110.3(7) . . ?
O3 C1 H1A 109.5 . . ?
C2 C1 H1A 109.6 . . ?
O3 C1 H1B 109.6 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
N1 C2 C1 111.4(7) . . ?
N1 C2 H2A 109.1 . . ?
C1 C2 H2A 109.2 . . ?
N1 C2 H2B 109.7 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
H1WA O1W H1WB 108.5 . . ?
C20 O15 H15C 116.0 . . ?
O15 C20 H20A 107.2 . . ?
O15 C20 H20B 111.2 . . ?
H20A C20 H20B 109.5 . . ?
O15 C20 H20C 109.9 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C21 O16 H16C 110.5 . . ?
O16 C21 H21A 110.3 . . ?
O16 C21 H21B 109.1 . . ?
H21A C21 H21B 109.5 . . ?
O16 C21 H21C 109.0 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Co4 O12 C16 -9.6(7) . . . . ?
O10 Co4 O12 C16 173.1(7) . . . . ?
O13 Co4 O12 C16 -98.7(6) . . . . ?
N3 Co4 O12 C16 86.5(7) . . . . ?
Dy1 Co4 O12 C16 -140.5(7) . . . . ?
N4 Co4 O12 Dy1 130.8(3) . . . . ?
O10 Co4 O12 Dy1 -46.5(2) . . . . ?
O13 Co4 O12 Dy1 41.8(2) . . . . ?
N3 Co4 O12 Dy1 -133.0(3) . . . . ?
O4 Co3 O3 C1 94.8(5) . . . . ?
O2 Co3 O3 C1 -87.6(5) . . . . ?
O5 Co3 O3 C1 -173.7(6) . . . . ?
N2 Co3 O3 C1 147.4(14) . . . . ?
N1 Co3 O3 C1 0.5(6) . . . . ?
Co2 Co3 O3 C1 -124.4(6) . . . . ?
Dy1 Co3 O3 C1 138.6(6) . . . . ?
O4 Co3 O3 Co2 -140.8(2) . . . . ?
O2 Co3 O3 Co2 36.7(2) . . . . ?
O5 Co3 O3 Co2 -49.35(19) . . . . ?
N2 Co3 O3 Co2 -88.2(14) . . . . ?
N1 Co3 O3 Co2 124.9(2) . . . . ?
Dy1 Co3 O3 Co2 -97.03(17) . . . . ?
O4 Co3 O3 Dy1 -43.73(19) . . . . ?
O2 Co3 O3 Dy1 133.8(2) . . . . ?
O5 Co3 O3 Dy1 47.69(19) . . . . ?
N2 Co3 O3 Dy1 8.9(15) . . . . ?
N1 Co3 O3 Dy1 -138.1(2) . . . . ?
Co2 Co3 O3 Dy1 97.03(17) . . . . ?
O3 Co3 O4 C9 -170.7(6) . . . . ?
O5 Co3 O4 C9 106.1(6) . . . . ?
N2 Co3 O4 C9 17.8(6) . . . . ?
N1 Co3 O4 C9 -82.0(6) . . . . ?
Co2 Co3 O4 C9 150.3(5) . . . . ?
Dy1 Co3 O4 C9 143.3(6) . . . . ?
O3 Co3 O4 Dy1 46.0(2) . . . . ?
O5 Co3 O4 Dy1 -37.2(2) . . . . ?
N2 Co3 O4 Dy1 -125.5(3) . . . . ?
N1 Co3 O4 Dy1 134.7(3) . . . . ?
Co2 Co3 O4 Dy1 7.0(3) . . . . ?
Co1 O14 C11 O6 3.4(12) . . . 2_666 ?
Co4 O10 C12 C13 -44.9(8) . . . . ?
Co1 O10 C12 C13 104.9(7) 2_666 . . . ?
Dy1 O10 C12 C13 -141.1(7) . . . . ?
Co4 O11 C15 C14 -32.0(9) . . . . ?
C17 N4 C19 C18 -80.7(8) . . . . ?
Co4 N4 C19 C18 37.4(7) . . . . ?
C2 N1 C3 C4 -82.4(10) . . . . ?
Co3 N1 C3 C4 35.4(9) . . . . ?
Co3 O4 C9 C8 -3.1(12) . . . . ?
Dy1 O4 C9 C8 114.5(10) . . . . ?
O11 C15 C14 N3 45.7(10) . . . . ?
C13 N3 C14 C15 78.0(9) . . . . ?
Co4 N3 C14 C15 -37.6(8) . . . . ?
Co4 O13 C18 C19 34.9(8) . . . . ?
Co1 O13 C18 C19 -114.8(7) . . . . ?
Dy1 O13 C18 C19 132.5(6) . . . . ?
N4 C19 C18 O13 -49.1(9) . . . . ?
Co4 O12 C16 C17 -5.4(11) . . . . ?
Dy1 O12 C16 C17 -125.7(7) . . . . ?
C19 N4 C17 C16 86.4(10) . . . . ?
Co4 N4 C17 C16 -30.1(10) . . . . ?
O12 C16 C17 N4 23.5(13) . . . . ?
Co3 O5 C6 C7 35.1(10) . . . . ?
Co2 O5 C6 C7 126.8(9) . . . . ?
Dy1 O5 C6 C7 -77.2(11) . . . . ?
Co3 O2 C4 C3 27.3(9) . . . . ?
Co2 O2 C4 C3 125.4(7) . . . . ?
N1 C3 C4 O2 -41.7(11) . . . . ?
O10 C12 C13 N3 46.9(10) . . . . ?
C14 N3 C13 C12 -141.2(8) . . . . ?
Co4 N3 C13 C12 -25.8(10) . . . . ?
C8 N2 C7 C6 138.0(11) . . . . ?
Co3 N2 C7 C6 22.6(13) . . . . ?
O5 C6 C7 N2 -38.5(14) . . . . ?
O4 C9 C8 N2 -18.9(16) . . . . ?
C7 N2 C8 C9 -85.2(13) . . . . ?
Co3 N2 C8 C9 31.1(13) . . . . ?
Dy1 O7 C10 O8 -7.5(17) . . . . ?
Co1 O8 C10 O7 1.7(13) . . . . ?
Co3 O3 C1 C2 -20.6(9) . . . . ?
Co2 O3 C1 C2 -116.4(7) . . . . ?
Dy1 O3 C1 C2 88.6(8) . . . . ?
C3 N1 C2 C1 83.3(9) . . . . ?
Co3 N1 C2 C1 -35.3(9) . . . . ?
O3 C1 C2 N1 37.7(10) . . . . ?

_refine_diff_density_max         3.926
_refine_diff_density_min         -1.686
_refine_diff_density_rms         0.174

