# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_t
_database_code_depnum_ccdc_archive 'CCDC 1482624'
_audit_update_record             
;
2016-09-19 deposited with the CCDC.
2016-09-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H72 Co2 Dy4 N10 O32, 2(C2 H6 O)'
_chemical_formula_sum            'C74 H84 Co2 Dy4 N10 O34'
_chemical_formula_weight         2425.37

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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.403(4)
_cell_length_b                   19.548(7)
_cell_length_c                   18.963(7)
_cell_angle_alpha                90
_cell_angle_beta                 103.787(6)
_cell_angle_gamma                90
_cell_volume                     4465(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7282
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      27.35

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_F_000             2376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    3.754
_shelx_estimated_absorpt_T_min   0.479
_shelx_estimated_absorpt_T_max   0.536
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4789
_exptl_absorpt_correction_T_max  0.5356
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26063
_diffrn_reflns_av_unetI/netI     0.0474
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.519
_diffrn_reflns_theta_max         27.400
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9963
_reflns_number_gt                7482
_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       'APEX-II (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    
'SHELXL-2014/7 (Sheldrick, 2014) and DIAMOND (Brandenburg, 1999)'
_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)+(0.0437P)²] 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         9963
_refine_ls_number_parameters     567
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0850
_refine_ls_wR_factor_gt          0.0763
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.002
_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 0.44717(2) 0.64367(2) 0.56966(2) 0.02910(7) Uani 1 1 d . . . . .
Dy2 Dy 0.36327(2) 0.45641(2) 0.51432(2) 0.02730(7) Uani 1 1 d . U . . .
Co1 Co 0.57373(5) 0.70073(3) 0.45323(3) 0.02902(14) Uani 1 1 d . . . . .
O1 O 0.5152(3) 0.53261(16) 0.56373(16) 0.0277(7) Uani 1 1 d D . . . .
O3 O 0.4824(2) 0.62124(16) 0.44406(15) 0.0283(7) Uani 1 1 d . . . . .
O5 O 0.6302(3) 0.65989(16) 0.54652(15) 0.0310(7) Uani 1 1 d . . . . .
O2 O 0.6820(3) 0.64753(16) 0.42442(16) 0.0323(7) Uani 1 1 d . . . . .
O4 O 0.4611(3) 0.74298(17) 0.48935(17) 0.0368(8) Uani 1 1 d . . . . .
O13 O 0.5799(3) 0.63404(18) 0.68817(18) 0.0419(8) Uani 1 1 d . U . . .
O11 O 0.2956(3) 0.57245(17) 0.49946(17) 0.0340(7) Uani 1 1 d . . . . .
O16 O 0.4440(3) 0.74687(19) 0.63485(18) 0.0453(9) Uani 1 1 d . U . . .
O7 O 0.2400(3) 0.4669(2) 0.38879(19) 0.0484(9) Uani 1 1 d . U . . .
O6 O 0.1596(3) 0.4418(2) 0.4746(2) 0.0533(10) Uani 1 1 d . . . . .
O10 O 0.3327(3) 0.48456(19) 0.62575(18) 0.0447(9) Uani 1 1 d . . . . .
O12 O 0.2548(3) 0.67643(18) 0.5268(2) 0.0451(9) Uani 1 1 d . U . . .
O9 O 0.3567(3) 0.59526(18) 0.65400(18) 0.0411(8) Uani 1 1 d . . . . .
N1 N 0.5160(3) 0.7297(2) 0.3555(2) 0.0325(9) Uani 1 1 d . . . . .
O15 O 0.5855(4) 0.5263(2) 0.7185(2) 0.0614(12) Uani 1 1 d . . . . .
N2 N 0.6643(3) 0.7805(2) 0.4757(2) 0.0393(10) Uani 1 1 d . . . . .
C14 C 0.4044(4) 0.6113(3) 0.3747(2) 0.0353(11) Uani 1 1 d . . . . .
H14A H 0.3516 0.5763 0.3804 0.042 Uiso 1 1 calc R U . . .
H14B H 0.4447 0.5942 0.3404 0.042 Uiso 1 1 calc R U . . .
N3 N 0.1508(4) 0.4569(3) 0.4083(3) 0.0529(12) Uani 1 1 d . . . . .
C6 C 0.7370(4) 0.6692(3) 0.3764(3) 0.0377(12) Uani 1 1 d . . . . .
N4 N 0.5926(4) 0.5875(3) 0.7365(2) 0.0501(12) Uani 1 1 d . U . . .
C28 C 0.7175(4) 0.6958(3) 0.5967(2) 0.0391(12) Uani 1 1 d . . . . .
H28A H 0.7511 0.6649 0.6357 0.047 Uiso 1 1 calc R U . . .
H28B H 0.6847 0.7333 0.6179 0.047 Uiso 1 1 calc R U . . .
C9 C 0.3408(4) 0.6745(3) 0.3431(2) 0.0356(11) Uani 1 1 d . . . . .
N5 N 0.3861(5) 0.8538(3) 0.6541(3) 0.0637(15) Uani 1 1 d . . . . .
C29 C 0.3273(4) 0.5356(3) 0.6652(3) 0.0402(12) Uani 1 1 d . . . . .
C1 C 0.6926(4) 0.7208(3) 0.3244(3) 0.0400(12) Uani 1 1 d . . . . .
C16 C 0.4312(5) 0.8075(3) 0.4724(3) 0.0408(12) Uani 1 1 d . . . . .
O14 O 0.6136(5) 0.6044(3) 0.8006(2) 0.0942(17) Uani 1 1 d . . . . .
C21 C 0.6229(5) 0.8409(3) 0.4718(3) 0.0474(13) Uani 1 1 d . U . . .
H21 H 0.6725 0.8773 0.4783 0.057 Uiso 1 1 calc R U . . .
C13 C 0.3431(4) 0.7890(3) 0.2921(3) 0.0453(13) Uani 1 1 d . . . . .
H13 H 0.3824 0.8273 0.2834 0.054 Uiso 1 1 calc R U . . .
C8 C 0.3977(4) 0.7324(3) 0.3297(2) 0.0348(11) Uani 1 1 d . . . . .
C23 C 0.8077(4) 0.7243(3) 0.5640(3) 0.0404(12) Uani 1 1 d . . . . .
O8 O 0.0588(4) 0.4611(3) 0.3657(3) 0.0853(16) Uani 1 1 d . . . . .
C22 C 0.7810(5) 0.7693(3) 0.5055(3) 0.0461(14) Uani 1 1 d . . . . .
C7 C 0.5794(4) 0.7408(3) 0.3116(3) 0.0400(12) Uani 1 1 d . . . . .
H7 H 0.5487 0.7636 0.2685 0.048 Uiso 1 1 calc R U . . .
C15 C 0.5068(5) 0.8573(3) 0.4583(3) 0.0459(13) Uani 1 1 d . U . . .
C31 C 0.2237(4) 0.6173(3) 0.5058(3) 0.0404(12) Uani 1 1 d . U . . .
C5 C 0.8397(4) 0.6407(3) 0.3758(3) 0.0560(17) Uani 1 1 d . . . . .
H5 H 0.8684 0.6062 0.4088 0.067 Uiso 1 1 calc R U . . .
C33 C 0.3708(5) 0.7884(3) 0.6379(3) 0.0516(14) Uani 1 1 d . U . . .
H33 H 0.2982 0.7722 0.6280 0.062 Uiso 1 1 calc R U . . .
C10 C 0.2261(4) 0.6736(3) 0.3189(3) 0.0540(15) Uani 1 1 d . . . . .
H10 H 0.1862 0.6356 0.3278 0.065 Uiso 1 1 calc R U . . .
C17 C 0.3207(5) 0.8274(3) 0.4675(3) 0.0549(15) Uani 1 1 d . . . . .
H17 H 0.2694 0.7956 0.4759 0.066 Uiso 1 1 calc R U . . .
C12 C 0.2291(5) 0.7860(3) 0.2682(3) 0.0596(17) Uani 1 1 d . . . . .
H12 H 0.1911 0.8229 0.2428 0.072 Uiso 1 1 calc R U . . .
C18 C 0.2879(6) 0.8943(3) 0.4502(3) 0.0650(18) Uani 1 1 d . . . . .
H18 H 0.2150 0.9071 0.4480 0.078 Uiso 1 1 calc R U . . .
C20 C 0.4697(6) 0.9247(3) 0.4416(3) 0.0615(17) Uani 1 1 d . . . . .
H20 H 0.5199 0.9576 0.4340 0.074 Uiso 1 1 calc R U . . .
C27 C 0.8617(5) 0.8020(4) 0.4771(3) 0.0659(19) Uani 1 1 d . . . . .
H27 H 0.8418 0.8315 0.4376 0.079 Uiso 1 1 calc R U . . .
C2 C 0.7554(5) 0.7432(4) 0.2766(3) 0.070(2) Uani 1 1 d . . . . .
H2 H 0.7274 0.7775 0.2433 0.085 Uiso 1 1 calc R U . . .
C19 C 0.3627(6) 0.9427(3) 0.4362(4) 0.070(2) Uani 1 1 d . . . . .
H19 H 0.3392 0.9871 0.4232 0.084 Uiso 1 1 calc R U . . .
C11 C 0.1702(5) 0.7293(4) 0.2813(4) 0.073(2) Uani 1 1 d . . . . .
H11 H 0.0933 0.7284 0.2651 0.087 Uiso 1 1 calc R U . . .
C30 C 0.2790(7) 0.5232(4) 0.7293(4) 0.087(3) Uani 1 1 d . . . . .
H30A H 0.1995 0.5240 0.7140 0.130 Uiso 1 1 calc R U . . .
H30B H 0.3036 0.5584 0.7649 0.130 Uiso 1 1 calc R U . . .
H30C H 0.3030 0.4794 0.7501 0.130 Uiso 1 1 calc R U . . .
C4 C 0.8993(5) 0.6623(5) 0.3278(4) 0.094(3) Uani 1 1 d . . . . .
H4 H 0.9672 0.6421 0.3276 0.112 Uiso 1 1 calc R U . . .
C35 C 0.4936(7) 0.8845(4) 0.6651(4) 0.090(2) Uani 1 1 d . . . . .
H35A H 0.5464 0.8507 0.6584 0.135 Uiso 1 1 calc R U . . .
H35B H 0.5154 0.9026 0.7135 0.135 Uiso 1 1 calc R U . . .
H35C H 0.4910 0.9209 0.6307 0.135 Uiso 1 1 calc R U . . .
C32 C 0.1026(5) 0.5985(4) 0.4899(5) 0.085(2) Uani 1 1 d . . . . .
H32A H 0.0908 0.5659 0.5252 0.128 Uiso 1 1 calc R U . . .
H32B H 0.0806 0.5788 0.4422 0.128 Uiso 1 1 calc R U . . .
H32C H 0.0593 0.6387 0.4921 0.128 Uiso 1 1 calc R U . . .
C3 C 0.8566(6) 0.7158(5) 0.2781(4) 0.109(4) Uani 1 1 d . . . . .
H3 H 0.8979 0.7320 0.2466 0.131 Uiso 1 1 calc R U . . .
C34 C 0.2943(7) 0.9014(4) 0.6520(4) 0.103(3) Uani 1 1 d . . . . .
H34A H 0.2790 0.9262 0.6070 0.154 Uiso 1 1 calc R U . . .
H34B H 0.3143 0.9329 0.6918 0.154 Uiso 1 1 calc R U . . .
H34C H 0.2295 0.8762 0.6558 0.154 Uiso 1 1 calc R U . . .
C26 C 0.9735(6) 0.7887(4) 0.5100(4) 0.080(2) Uani 1 1 d . . . . .
H26 H 1.0289 0.8100 0.4924 0.096 Uiso 1 1 calc R U . . .
C24 C 0.9199(5) 0.7125(3) 0.5951(3) 0.0534(15) Uani 1 1 d . . . . .
H24 H 0.9400 0.6827 0.6343 0.064 Uiso 1 1 calc R U . . .
C25 C 1.0024(5) 0.7443(4) 0.5685(4) 0.0695(19) Uani 1 1 d . . . . .
H25 H 1.0768 0.7359 0.5899 0.083 Uiso 1 1 calc R U . . .
O17 O -0.048(2) -0.0384(14) 0.6316(17) 0.609(19) Uani 1 1 d D U . . .
H17A H -0.0114 -0.0708 0.6517 0.914 Uiso 1 1 calc R U . . .
C37 C 0.083(2) 0.0482(13) 0.6789(13) 0.365(14) Uani 1 1 d D U . . .
H37A H 0.0302 0.0705 0.7011 0.548 Uiso 1 1 d R U . . .
H37B H 0.1225 0.0142 0.7114 0.548 Uiso 1 1 d R U . . .
H37C H 0.1338 0.0813 0.6685 0.548 Uiso 1 1 d R U . . .
C36 C 0.024(4) 0.010(2) 0.6082(16) 0.58(3) Uani 1 1 d D U . . .
H36A H -0.0183 0.0417 0.5728 0.692 Uiso 1 1 calc R U . . .
H36B H 0.0778 -0.0132 0.5870 0.692 Uiso 1 1 calc R U . . .
H1 H 0.549(4) 0.525(3) 0.6055(14) 0.054(18) Uiso 1 1 d 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
Dy1 O1 2.341(3) . ?
Dy1 O9 2.360(3) . ?
Dy1 O16 2.371(4) . ?
Dy1 O12 2.416(4) . ?
Dy1 O5 2.433(3) . ?
Dy1 O13 2.456(3) . ?
Dy1 O11 2.460(3) . ?
Dy1 O4 2.499(3) . ?
Dy1 O3 2.560(3) . ?
Dy1 C31 2.795(5) . ?
Dy1 Co1 3.1992(10) . ?
Dy1 Dy2 3.6981(9) 3_666 ?
Dy2 O10 2.301(3) . ?
Dy2 O1 2.361(3) 3_666 ?
Dy2 O1 2.409(3) . ?
Dy2 O11 2.412(3) . ?
Dy2 O3 2.423(3) 3_666 ?
Dy2 O2 2.471(3) 3_666 ?
Dy2 O6 2.474(4) . ?
Dy2 O7 2.512(4) . ?
Dy2 O5 2.560(3) 3_666 ?
Dy2 N3 2.909(5) . ?
Dy2 Co1 3.1933(13) 3_666 ?
Dy2 Dy1 3.6980(9) 3_666 ?
Co1 O2 1.880(3) . ?
Co1 O4 1.886(3) . ?
Co1 O3 1.906(3) . ?
Co1 N1 1.907(4) . ?
Co1 N2 1.911(4) . ?
Co1 O5 1.915(3) . ?
Co1 Dy2 3.1933(13) 3_666 ?
O1 Dy2 2.361(3) 3_666 ?
O1 H1 0.816(19) . ?
O3 C14 1.447(5) . ?
O3 Dy2 2.423(3) 3_666 ?
O5 C28 1.443(5) . ?
O5 Dy2 2.560(3) 3_666 ?
O2 C6 1.331(5) . ?
O2 Dy2 2.471(3) 3_666 ?
O4 C16 1.332(6) . ?
O13 N4 1.274(5) . ?
O11 C31 1.276(6) . ?
O16 C33 1.229(6) . ?
O7 N3 1.263(6) . ?
O6 N3 1.269(6) . ?
O10 C29 1.258(6) . ?
O12 C31 1.254(6) . ?
O9 C29 1.254(6) . ?
N1 C7 1.292(6) . ?
N1 C8 1.432(6) . ?
O15 N4 1.242(6) . ?
N2 C21 1.281(7) . ?
N2 C22 1.438(7) . ?
C14 C9 1.511(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
N3 O8 1.233(5) . ?
C6 C5 1.392(7) . ?
C6 C1 1.426(7) . ?
N4 O14 1.227(5) . ?
C28 C23 1.508(7) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C9 C10 1.387(7) . ?
C9 C8 1.390(7) . ?
N5 C33 1.319(7) . ?
N5 C35 1.431(9) . ?
N5 C34 1.463(8) . ?
C29 C30 1.497(7) . ?
C1 C2 1.398(7) . ?
C1 C7 1.422(7) . ?
C16 C17 1.408(8) . ?
C16 C15 1.420(7) . ?
C21 C15 1.438(8) . ?
C21 H21 0.9300 . ?
C13 C12 1.380(7) . ?
C13 C8 1.400(7) . ?
C13 H13 0.9300 . ?
C23 C22 1.394(7) . ?
C23 C24 1.395(7) . ?
C22 C27 1.399(7) . ?
C7 H7 0.9300 . ?
C15 C20 1.407(8) . ?
C31 C32 1.505(8) . ?
C5 C4 1.369(8) . ?
C5 H5 0.9300 . ?
C33 H33 0.9300 . ?
C10 C11 1.392(8) . ?
C10 H10 0.9300 . ?
C17 C18 1.384(8) . ?
C17 H17 0.9300 . ?
C12 C11 1.382(9) . ?
C12 H12 0.9300 . ?
C18 C19 1.395(9) . ?
C18 H18 0.9300 . ?
C20 C19 1.353(9) . ?
C20 H20 0.9300 . ?
C27 C26 1.403(9) . ?
C27 H27 0.9300 . ?
C2 C3 1.358(9) . ?
C2 H2 0.9300 . ?
C19 H19 0.9300 . ?
C11 H11 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C4 C3 1.424(10) . ?
C4 H4 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C3 H3 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C26 C25 1.387(10) . ?
C26 H26 0.9300 . ?
C24 C25 1.390(8) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
O17 C36 1.445(10) . ?
O17 H17A 0.8200 . ?
C37 C36 1.553(10) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9601 . ?
C37 H37C 0.9600 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?

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
O1 Dy1 O9 84.01(11) . . ?
O1 Dy1 O16 149.87(12) . . ?
O9 Dy1 O16 85.30(12) . . ?
O1 Dy1 O12 124.59(12) . . ?
O9 Dy1 O12 75.11(12) . . ?
O16 Dy1 O12 79.15(13) . . ?
O1 Dy1 O5 75.53(11) . . ?
O9 Dy1 O5 142.12(11) . . ?
O16 Dy1 O5 96.63(12) . . ?
O12 Dy1 O5 142.53(11) . . ?
O1 Dy1 O13 78.61(11) . . ?
O9 Dy1 O13 70.88(12) . . ?
O16 Dy1 O13 71.28(12) . . ?
O12 Dy1 O13 136.10(12) . . ?
O5 Dy1 O13 74.01(11) . . ?
O1 Dy1 O11 71.74(11) . . ?
O9 Dy1 O11 73.40(11) . . ?
O16 Dy1 O11 131.15(12) . . ?
O12 Dy1 O11 53.29(11) . . ?
O5 Dy1 O11 126.98(10) . . ?
O13 Dy1 O11 135.30(11) . . ?
O1 Dy1 O4 127.81(10) . . ?
O9 Dy1 O4 146.91(11) . . ?
O16 Dy1 O4 70.67(12) . . ?
O12 Dy1 O4 78.20(11) . . ?
O5 Dy1 O4 65.52(10) . . ?
O13 Dy1 O4 119.24(11) . . ?
O11 Dy1 O4 105.36(11) . . ?
O1 Dy1 O3 69.71(10) . . ?
O9 Dy1 O3 140.91(11) . . ?
O16 Dy1 O3 131.20(11) . . ?
O12 Dy1 O3 96.11(11) . . ?
O5 Dy1 O3 58.74(9) . . ?
O13 Dy1 O3 127.78(11) . . ?
O11 Dy1 O3 71.18(10) . . ?
O4 Dy1 O3 60.92(10) . . ?
O1 Dy1 C31 98.00(14) . . ?
O9 Dy1 C31 68.71(13) . . ?
O16 Dy1 C31 104.17(15) . . ?
O12 Dy1 C31 26.59(14) . . ?
O5 Dy1 C31 144.80(12) . . ?
O13 Dy1 C31 139.58(13) . . ?
O11 Dy1 C31 27.15(13) . . ?
O4 Dy1 C31 94.87(13) . . ?
O3 Dy1 C31 86.37(12) . . ?
O1 Dy1 Co1 92.79(8) . . ?
O9 Dy1 Co1 176.76(9) . . ?
O16 Dy1 Co1 97.77(9) . . ?
O12 Dy1 Co1 106.45(9) . . ?
O5 Dy1 Co1 36.66(7) . . ?
O13 Dy1 Co1 109.04(9) . . ?
O11 Dy1 Co1 105.14(8) . . ?
O4 Dy1 Co1 36.08(7) . . ?
O3 Dy1 Co1 36.58(7) . . ?
C31 Dy1 Co1 111.36(10) . . ?
O1 Dy1 Dy2 38.33(7) . 3_666 ?
O9 Dy1 Dy2 122.25(9) . 3_666 ?
O16 Dy1 Dy2 139.99(9) . 3_666 ?
O12 Dy1 Dy2 132.35(9) . 3_666 ?
O5 Dy1 Dy2 43.54(8) . 3_666 ?
O13 Dy1 Dy2 89.85(9) . 3_666 ?
O11 Dy1 Dy2 87.12(8) . 3_666 ?
O4 Dy1 Dy2 90.29(7) . 3_666 ?
O3 Dy1 Dy2 40.68(7) . 3_666 ?
C31 Dy1 Dy2 112.47(11) . 3_666 ?
Co1 Dy1 Dy2 54.58(2) . 3_666 ?
O10 Dy2 O1 145.45(12) . 3_666 ?
O10 Dy2 O1 77.26(11) . . ?
O1 Dy2 O1 68.32(12) 3_666 . ?
O10 Dy2 O11 75.73(12) . . ?
O1 Dy2 O11 95.60(11) 3_666 . ?
O1 Dy2 O11 71.46(11) . . ?
O10 Dy2 O3 98.09(12) . 3_666 ?
O1 Dy2 O3 71.83(10) 3_666 3_666 ?
O1 Dy2 O3 77.10(11) . 3_666 ?
O11 Dy2 O3 148.55(10) . 3_666 ?
O10 Dy2 O2 70.07(11) . 3_666 ?
O1 Dy2 O2 128.33(10) 3_666 3_666 ?
O1 Dy2 O2 124.74(11) . 3_666 ?
O11 Dy2 O2 135.79(10) . 3_666 ?
O3 Dy2 O2 65.29(10) 3_666 3_666 ?
O10 Dy2 O6 85.87(13) . . ?
O1 Dy2 O6 125.28(12) 3_666 . ?
O1 Dy2 O6 146.81(13) . . ?
O11 Dy2 O6 76.81(12) . . ?
O3 Dy2 O6 134.16(12) 3_666 . ?
O2 Dy2 O6 73.64(12) 3_666 . ?
O10 Dy2 O7 130.90(13) . . ?
O1 Dy2 O7 74.57(12) 3_666 . ?
O1 Dy2 O7 124.13(11) . . ?
O11 Dy2 O7 72.33(11) . . ?
O3 Dy2 O7 127.93(11) 3_666 . ?
O2 Dy2 O7 110.94(12) 3_666 . ?
O6 Dy2 O7 51.26(12) . . ?
O10 Dy2 O5 131.01(11) . 3_666 ?
O1 Dy2 O5 72.82(10) 3_666 3_666 ?
O1 Dy2 O5 128.22(10) . 3_666 ?
O11 Dy2 O5 146.13(10) . 3_666 ?
O3 Dy2 O5 58.87(10) 3_666 3_666 ?
O2 Dy2 O5 61.09(10) 3_666 3_666 ?
O6 Dy2 O5 84.24(12) . 3_666 ?
O7 Dy2 O5 73.90(11) . 3_666 ?
O10 Dy2 N3 108.26(14) . . ?
O1 Dy2 N3 100.11(14) 3_666 . ?
O1 Dy2 N3 139.67(12) . . ?
O11 Dy2 N3 71.53(12) . . ?
O3 Dy2 N3 137.96(12) 3_666 . ?
O2 Dy2 N3 93.31(13) 3_666 . ?
O6 Dy2 N3 25.69(13) . . ?
O7 Dy2 N3 25.64(13) . . ?
O5 Dy2 N3 79.20(12) 3_666 . ?
O10 Dy2 Co1 98.01(9) . 3_666 ?
O1 Dy2 Co1 92.57(8) 3_666 3_666 ?
O1 Dy2 Co1 112.77(8) . 3_666 ?
O11 Dy2 Co1 171.77(7) . 3_666 ?
O3 Dy2 Co1 36.54(7) 3_666 3_666 ?
O2 Dy2 Co1 35.98(7) 3_666 3_666 ?
O6 Dy2 Co1 97.62(10) . 3_666 ?
O7 Dy2 Co1 109.06(9) . 3_666 ?
O5 Dy2 Co1 36.85(7) 3_666 3_666 ?
N3 Dy2 Co1 106.05(10) . 3_666 ?
O10 Dy2 Dy1 141.51(9) . 3_666 ?
O1 Dy2 Dy1 37.96(8) 3_666 3_666 ?
O1 Dy2 Dy1 88.63(8) . 3_666 ?
O11 Dy2 Dy1 133.35(7) . 3_666 ?
O3 Dy2 Dy1 43.52(7) 3_666 3_666 ?
O2 Dy2 Dy1 90.37(7) 3_666 3_666 ?
O6 Dy2 Dy1 121.01(10) . 3_666 ?
O7 Dy2 Dy1 86.60(9) . 3_666 ?
O5 Dy2 Dy1 40.91(7) 3_666 3_666 ?
N3 Dy2 Dy1 105.59(11) . 3_666 ?
Co1 Dy2 Dy1 54.731(17) 3_666 3_666 ?
O2 Co1 O4 171.86(14) . . ?
O2 Co1 O3 88.43(14) . . ?
O4 Co1 O3 85.11(14) . . ?
O2 Co1 N1 90.63(15) . . ?
O4 Co1 N1 94.80(16) . . ?
O3 Co1 N1 94.37(15) . . ?
O2 Co1 N2 95.37(17) . . ?
O4 Co1 N2 90.49(17) . . ?
O3 Co1 N2 172.34(15) . . ?
N1 Co1 N2 92.24(17) . . ?
O2 Co1 O5 84.75(13) . . ?
O4 Co1 O5 89.23(14) . . ?
O3 Co1 O5 79.81(13) . . ?
N1 Co1 O5 172.63(16) . . ?
N2 Co1 O5 93.90(15) . . ?
O2 Co1 Dy2 50.56(9) . 3_666 ?
O4 Co1 Dy2 121.31(10) . 3_666 ?
O3 Co1 Dy2 49.17(9) . 3_666 ?
N1 Co1 Dy2 119.42(12) . 3_666 ?
N2 Co1 Dy2 129.68(14) . 3_666 ?
O5 Co1 Dy2 53.28(10) . 3_666 ?
O2 Co1 Dy1 120.64(10) . . ?
O4 Co1 Dy1 51.28(10) . . ?
O3 Co1 Dy1 53.14(9) . . ?
N1 Co1 Dy1 129.94(12) . . ?
N2 Co1 Dy1 119.34(12) . . ?
O5 Co1 Dy1 49.36(9) . . ?
Dy2 Co1 Dy1 70.691(18) 3_666 . ?
Dy1 O1 Dy2 103.70(12) . 3_666 ?
Dy1 O1 Dy2 109.56(13) . . ?
Dy2 O1 Dy2 111.68(12) 3_666 . ?
Dy1 O1 H1 103(4) . . ?
Dy2 O1 H1 112(4) 3_666 . ?
Dy2 O1 H1 116(4) . . ?
C14 O3 Co1 116.5(3) . . ?
C14 O3 Dy2 121.1(3) . 3_666 ?
Co1 O3 Dy2 94.29(12) . 3_666 ?
C14 O3 Dy1 130.0(3) . . ?
Co1 O3 Dy1 90.29(11) . . ?
Dy2 O3 Dy1 95.79(9) 3_666 . ?
C28 O5 Co1 117.3(3) . . ?
C28 O5 Dy1 122.1(3) . . ?
Co1 O5 Dy1 93.98(12) . . ?
C28 O5 Dy2 129.1(3) . 3_666 ?
Co1 O5 Dy2 89.87(11) . 3_666 ?
Dy1 O5 Dy2 95.54(10) . 3_666 ?
C6 O2 Co1 122.8(3) . . ?
C6 O2 Dy2 142.6(3) . 3_666 ?
Co1 O2 Dy2 93.46(12) . 3_666 ?
C16 O4 Co1 121.0(3) . . ?
C16 O4 Dy1 145.8(3) . . ?
Co1 O4 Dy1 92.64(13) . . ?
N4 O13 Dy1 130.8(3) . . ?
C31 O11 Dy2 150.0(3) . . ?
C31 O11 Dy1 91.2(3) . . ?
Dy2 O11 Dy1 105.63(12) . . ?
C33 O16 Dy1 133.7(4) . . ?
N3 O7 Dy2 95.0(3) . . ?
N3 O6 Dy2 96.7(3) . . ?
C29 O10 Dy2 141.2(3) . . ?
C31 O12 Dy1 93.8(3) . . ?
C29 O9 Dy1 133.7(3) . . ?
C7 N1 C8 120.4(4) . . ?
C7 N1 Co1 122.0(3) . . ?
C8 N1 Co1 117.4(3) . . ?
C21 N2 C22 121.0(5) . . ?
C21 N2 Co1 122.2(4) . . ?
C22 N2 Co1 116.5(3) . . ?
O3 C14 C9 115.0(4) . . ?
O3 C14 H14A 108.5 . . ?
C9 C14 H14A 108.5 . . ?
O3 C14 H14B 108.5 . . ?
C9 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
O8 N3 O7 122.4(5) . . ?
O8 N3 O6 120.8(5) . . ?
O7 N3 O6 116.8(4) . . ?
O8 N3 Dy2 175.6(4) . . ?
O7 N3 Dy2 59.4(2) . . ?
O6 N3 Dy2 57.7(2) . . ?
O2 C6 C5 119.9(5) . . ?
O2 C6 C1 121.4(4) . . ?
C5 C6 C1 118.7(4) . . ?
O14 N4 O15 121.0(5) . . ?
O14 N4 O13 118.8(5) . . ?
O15 N4 O13 120.1(4) . . ?
O5 C28 C23 115.0(4) . . ?
O5 C28 H28A 108.5 . . ?
C23 C28 H28A 108.5 . . ?
O5 C28 H28B 108.5 . . ?
C23 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
C10 C9 C8 118.4(5) . . ?
C10 C9 C14 121.3(5) . . ?
C8 C9 C14 119.9(4) . . ?
C33 N5 C35 121.2(6) . . ?
C33 N5 C34 122.8(7) . . ?
C35 N5 C34 115.4(6) . . ?
O9 C29 O10 125.3(4) . . ?
O9 C29 C30 118.4(5) . . ?
O10 C29 C30 116.3(5) . . ?
C2 C1 C7 118.9(5) . . ?
C2 C1 C6 119.1(5) . . ?
C7 C1 C6 121.0(4) . . ?
O4 C16 C17 119.3(5) . . ?
O4 C16 C15 122.4(5) . . ?
C17 C16 C15 118.3(5) . . ?
N2 C21 C15 125.9(5) . . ?
N2 C21 H21 117.1 . . ?
C15 C21 H21 117.1 . . ?
C12 C13 C8 117.9(5) . . ?
C12 C13 H13 121.1 . . ?
C8 C13 H13 121.1 . . ?
C9 C8 C13 122.1(5) . . ?
C9 C8 N1 115.6(4) . . ?
C13 C8 N1 122.3(5) . . ?
C22 C23 C24 117.7(5) . . ?
C22 C23 C28 120.1(5) . . ?
C24 C23 C28 121.9(5) . . ?
C23 C22 C27 122.6(6) . . ?
C23 C22 N2 115.8(4) . . ?
C27 C22 N2 121.6(5) . . ?
N1 C7 C1 124.9(4) . . ?
N1 C7 H7 117.5 . . ?
C1 C7 H7 117.5 . . ?
C20 C15 C16 119.3(6) . . ?
C20 C15 C21 120.6(5) . . ?
C16 C15 C21 119.5(5) . . ?
O12 C31 O11 119.6(5) . . ?
O12 C31 C32 120.4(5) . . ?
O11 C31 C32 120.0(5) . . ?
O12 C31 Dy1 59.6(3) . . ?
O11 C31 Dy1 61.6(3) . . ?
C32 C31 Dy1 166.1(4) . . ?
C4 C5 C6 121.5(6) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
O16 C33 N5 125.8(6) . . ?
O16 C33 H33 117.1 . . ?
N5 C33 H33 117.1 . . ?
C9 C10 C11 120.4(6) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C18 C17 C16 120.2(6) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C13 C12 C11 121.3(5) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C17 C18 C19 121.0(6) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C19 C20 C15 121.6(6) . . ?
C19 C20 H20 119.2 . . ?
C15 C20 H20 119.2 . . ?
C22 C27 C26 117.8(6) . . ?
C22 C27 H27 121.1 . . ?
C26 C27 H27 121.1 . . ?
C3 C2 C1 121.2(6) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C20 C19 C18 119.6(6) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C12 C11 C10 120.0(6) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C5 C4 C3 119.4(6) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N5 C35 H35A 109.5 . . ?
N5 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N5 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C2 C3 C4 120.0(6) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
N5 C34 H34A 109.5 . . ?
N5 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N5 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C25 C26 C27 120.8(6) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C25 C24 C23 121.3(6) . . ?
C25 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
C26 C25 C24 119.9(6) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C36 O17 H17A 109.5 . . ?
C36 C37 H37A 111.8 . . ?
C36 C37 H37B 106.6 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 110.0 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O17 C36 C37 104(2) . . ?
O17 C36 H36A 110.9 . . ?
C37 C36 H36A 110.9 . . ?
O17 C36 H36B 110.9 . . ?
C37 C36 H36B 110.9 . . ?
H36A C36 H36B 108.9 . . ?

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
O3 Co1 O2 C6 135.8(3) . . . . ?
N1 Co1 O2 C6 41.4(4) . . . . ?
N2 Co1 O2 C6 -50.9(4) . . . . ?
O5 Co1 O2 C6 -144.3(4) . . . . ?
Dy2 Co1 O2 C6 170.2(4) 3_666 . . . ?
Dy1 Co1 O2 C6 -179.8(3) . . . . ?
O3 Co1 O2 Dy2 -34.48(11) . . . 3_666 ?
N1 Co1 O2 Dy2 -128.84(14) . . . 3_666 ?
N2 Co1 O2 Dy2 138.86(14) . . . 3_666 ?
O5 Co1 O2 Dy2 45.42(12) . . . 3_666 ?
Dy1 Co1 O2 Dy2 9.98(14) . . . 3_666 ?
O3 Co1 O4 C16 -141.5(4) . . . . ?
N1 Co1 O4 C16 -47.5(4) . . . . ?
N2 Co1 O4 C16 44.8(4) . . . . ?
O5 Co1 O4 C16 138.7(4) . . . . ?
Dy2 Co1 O4 C16 -176.4(3) 3_666 . . . ?
Dy1 Co1 O4 C16 173.2(4) . . . . ?
O3 Co1 O4 Dy1 45.33(11) . . . . ?
N1 Co1 O4 Dy1 139.32(14) . . . . ?
N2 Co1 O4 Dy1 -128.40(15) . . . . ?
O5 Co1 O4 Dy1 -34.51(12) . . . . ?
Dy2 Co1 O4 Dy1 10.41(14) 3_666 . . . ?
Co1 O3 C14 C9 -44.7(5) . . . . ?
Dy2 O3 C14 C9 -158.2(3) 3_666 . . . ?
Dy1 O3 C14 C9 70.5(5) . . . . ?
Dy2 O7 N3 O8 175.3(5) . . . . ?
Dy2 O7 N3 O6 -5.2(5) . . . . ?
Dy2 O6 N3 O8 -175.2(5) . . . . ?
Dy2 O6 N3 O7 5.3(5) . . . . ?
Co1 O2 C6 C5 157.2(4) . . . . ?
Dy2 O2 C6 C5 -39.0(8) 3_666 . . . ?
Co1 O2 C6 C1 -23.5(6) . . . . ?
Dy2 O2 C6 C1 140.3(4) 3_666 . . . ?
Dy1 O13 N4 O14 -140.2(5) . . . . ?
Dy1 O13 N4 O15 41.0(7) . . . . ?
Co1 O5 C28 C23 -43.7(5) . . . . ?
Dy1 O5 C28 C23 -158.2(3) . . . . ?
Dy2 O5 C28 C23 70.9(5) 3_666 . . . ?
O3 C14 C9 C10 -129.5(5) . . . . ?
O3 C14 C9 C8 58.2(6) . . . . ?
Dy1 O9 C29 O10 -6.7(9) . . . . ?
Dy1 O9 C29 C30 174.9(5) . . . . ?
Dy2 O10 C29 O9 -11.5(10) . . . . ?
Dy2 O10 C29 C30 166.9(5) . . . . ?
O2 C6 C1 C2 178.0(5) . . . . ?
C5 C6 C1 C2 -2.7(9) . . . . ?
O2 C6 C1 C7 -13.3(8) . . . . ?
C5 C6 C1 C7 166.0(5) . . . . ?
Co1 O4 C16 C17 148.8(4) . . . . ?
Dy1 O4 C16 C17 -43.3(8) . . . . ?
Co1 O4 C16 C15 -30.6(6) . . . . ?
Dy1 O4 C16 C15 137.3(5) . . . . ?
C22 N2 C21 C15 -165.7(5) . . . . ?
Co1 N2 C21 C15 7.0(7) . . . . ?
C10 C9 C8 C13 -0.8(8) . . . . ?
C14 C9 C8 C13 171.7(4) . . . . ?
C10 C9 C8 N1 -179.5(4) . . . . ?
C14 C9 C8 N1 -7.0(6) . . . . ?
C12 C13 C8 C9 0.2(8) . . . . ?
C12 C13 C8 N1 178.8(5) . . . . ?
C7 N1 C8 C9 125.3(5) . . . . ?
Co1 N1 C8 C9 -48.7(5) . . . . ?
C7 N1 C8 C13 -53.4(7) . . . . ?
Co1 N1 C8 C13 132.6(4) . . . . ?
O5 C28 C23 C22 56.9(7) . . . . ?
O5 C28 C23 C24 -129.7(5) . . . . ?
C24 C23 C22 C27 0.6(8) . . . . ?
C28 C23 C22 C27 174.3(5) . . . . ?
C24 C23 C22 N2 -179.4(5) . . . . ?
C28 C23 C22 N2 -5.7(7) . . . . ?
C21 N2 C22 C23 122.9(5) . . . . ?
Co1 N2 C22 C23 -50.1(5) . . . . ?
C21 N2 C22 C27 -57.0(7) . . . . ?
Co1 N2 C22 C27 129.9(5) . . . . ?
C8 N1 C7 C1 -160.8(5) . . . . ?
Co1 N1 C7 C1 12.9(7) . . . . ?
C2 C1 C7 N1 -172.3(6) . . . . ?
C6 C1 C7 N1 18.9(8) . . . . ?
O4 C16 C15 C20 -179.2(5) . . . . ?
C17 C16 C15 C20 1.3(8) . . . . ?
O4 C16 C15 C21 -8.4(8) . . . . ?
C17 C16 C15 C21 172.1(5) . . . . ?
N2 C21 C15 C20 -167.8(5) . . . . ?
N2 C21 C15 C16 21.5(8) . . . . ?
Dy1 O12 C31 O11 -14.5(5) . . . . ?
Dy1 O12 C31 C32 163.9(5) . . . . ?
Dy2 O11 C31 O12 139.5(5) . . . . ?
Dy1 O11 C31 O12 14.3(5) . . . . ?
Dy2 O11 C31 C32 -39.0(9) . . . . ?
Dy1 O11 C31 C32 -164.2(5) . . . . ?
Dy2 O11 C31 Dy1 125.2(6) . . . . ?
O2 C6 C5 C4 -179.2(7) . . . . ?
C1 C6 C5 C4 1.5(10) . . . . ?
Dy1 O16 C33 N5 -153.1(4) . . . . ?
C35 N5 C33 O16 4.6(9) . . . . ?
C34 N5 C33 O16 175.8(6) . . . . ?
C8 C9 C10 C11 0.8(9) . . . . ?
C14 C9 C10 C11 -171.5(6) . . . . ?
O4 C16 C17 C18 179.7(5) . . . . ?
C15 C16 C17 C18 -0.8(8) . . . . ?
C8 C13 C12 C11 0.4(9) . . . . ?
C16 C17 C18 C19 1.1(9) . . . . ?
C16 C15 C20 C19 -2.2(9) . . . . ?
C21 C15 C20 C19 -172.9(6) . . . . ?
C23 C22 C27 C26 -0.7(9) . . . . ?
N2 C22 C27 C26 179.2(6) . . . . ?
C7 C1 C2 C3 -167.7(7) . . . . ?
C6 C1 C2 C3 1.3(11) . . . . ?
C15 C20 C19 C18 2.5(10) . . . . ?
C17 C18 C19 C20 -2.0(10) . . . . ?
C13 C12 C11 C10 -0.4(11) . . . . ?
C9 C10 C11 C12 -0.3(11) . . . . ?
C6 C5 C4 C3 1.1(13) . . . . ?
C1 C2 C3 C4 1.3(14) . . . . ?
C5 C4 C3 C2 -2.6(15) . . . . ?
C22 C27 C26 C25 0.4(11) . . . . ?
C22 C23 C24 C25 -0.2(8) . . . . ?
C28 C23 C24 C25 -173.7(5) . . . . ?
C27 C26 C25 C24 -0.1(11) . . . . ?
C23 C24 C25 C26 -0.1(10) . . . . ?

_refine_diff_density_max         0.795
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.123

####################################################################### 
# 
# 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_t
_database_code_depnum_ccdc_archive 'CCDC 1482625'
_audit_update_record             
;
2016-09-19 deposited with the CCDC.
2016-09-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H72 Co2 Eu4 N10 O32, 2(C2 H6 O)'
_chemical_formula_sum            'C74 H84 Co2 Eu4 N10 O34'
_chemical_formula_weight         2383.21

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.4424(19)
_cell_length_b                   19.730(3)
_cell_length_c                   19.024(3)
_cell_angle_alpha                90
_cell_angle_beta                 104.094(2)
_cell_angle_gamma                90
_cell_volume                     4529.6(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6693
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      25.88

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_F_000             2352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    3.171
_shelx_estimated_absorpt_T_min   0.504
_shelx_estimated_absorpt_T_max   0.584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5044
_exptl_absorpt_correction_T_max  0.5841
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23899
_diffrn_reflns_av_unetI/netI     0.0548
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.511
_diffrn_reflns_theta_max         25.992
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8820
_reflns_number_gt                6417
_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       'APEX-II (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    
'SHELXL-2014/7 (Sheldrick, 2014) and DIAMOND (Brandenburg, 1999)'
_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)+(0.0558P)²] 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         8820
_refine_ls_number_parameters     567
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0385
_refine_ls_wR_factor_ref         0.1059
_refine_ls_wR_factor_gt          0.0918
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.002
_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 0.44680(3) 0.64468(2) 0.57042(2) 0.02983(10) Uani 1 1 d . . . . .
Eu2 Eu 0.36124(3) 0.45689(2) 0.51411(2) 0.02811(9) Uani 1 1 d . U . . .
Co1 Co 0.57478(7) 0.70014(4) 0.45328(4) 0.02924(19) Uani 1 1 d . . . . .
O1 O 0.5158(3) 0.53237(19) 0.5646(2) 0.0280(9) Uani 1 1 d D . . . .
O2 O 0.6816(3) 0.64736(19) 0.4237(2) 0.0334(10) Uani 1 1 d . . . . .
O3 O 0.4820(3) 0.62203(19) 0.44388(18) 0.0304(9) Uani 1 1 d . . . . .
O4 O 0.4638(4) 0.7430(2) 0.4893(2) 0.0381(10) Uani 1 1 d . . . . .
O5 O 0.6322(3) 0.65995(19) 0.54687(19) 0.0302(9) Uani 1 1 d . . . . .
O6 O 0.1550(4) 0.4418(2) 0.4728(3) 0.0526(13) Uani 1 1 d . . . . .
O7 O 0.2353(4) 0.4673(2) 0.3870(2) 0.0497(12) Uani 1 1 d . U . . .
O8 O 0.0559(5) 0.4617(4) 0.3633(4) 0.097(2) Uani 1 1 d . . . . .
O9 O 0.3556(4) 0.5957(2) 0.6556(2) 0.0420(11) Uani 1 1 d . . . . .
O10 O 0.3307(4) 0.4861(2) 0.6269(2) 0.0461(12) Uani 1 1 d . . . . .
O11 O 0.2937(3) 0.5735(2) 0.4994(2) 0.0339(10) Uani 1 1 d . . . . .
O12 O 0.2517(4) 0.6768(2) 0.5261(2) 0.0465(12) Uani 1 1 d . . . . .
O13 O 0.5802(4) 0.6345(2) 0.6901(2) 0.0426(11) Uani 1 1 d . U . . .
O14 O 0.6126(6) 0.6047(3) 0.8023(3) 0.099(2) Uani 1 1 d . . . . .
O15 O 0.5867(5) 0.5274(3) 0.7195(3) 0.0661(16) Uani 1 1 d . . . . .
O16 O 0.4428(4) 0.7491(2) 0.6361(2) 0.0472(12) Uani 1 1 d . . . . .
C1 C 0.7367(5) 0.6701(3) 0.3764(3) 0.0378(15) Uani 1 1 d . . . . .
C2 C 0.8391(6) 0.6406(4) 0.3759(4) 0.0531(19) Uani 1 1 d . . . . .
H2 H 0.8674 0.6056 0.4077 0.064 Uiso 1 1 calc R U . . .
C3 C 0.8970(7) 0.6636(6) 0.3281(5) 0.093(4) Uani 1 1 d . . . . .
H3 H 0.9649 0.6441 0.3280 0.112 Uiso 1 1 calc R U . . .
C4 C 0.8556(8) 0.7165(6) 0.2789(5) 0.104(4) Uani 1 1 d . . . . .
H4 H 0.8972 0.7329 0.2481 0.125 Uiso 1 1 calc R U . . .
C5 C 0.7534(6) 0.7434(5) 0.2773(4) 0.069(3) Uani 1 1 d . . . . .
H5 H 0.7246 0.7772 0.2440 0.083 Uiso 1 1 calc R U . . .
C6 C 0.6922(5) 0.7205(4) 0.3251(3) 0.0414(16) Uani 1 1 d . . . . .
C7 C 0.5799(5) 0.7397(3) 0.3119(3) 0.0358(15) Uani 1 1 d . . . . .
H7 H 0.5489 0.7618 0.2685 0.043 Uiso 1 1 calc R U . . .
C8 C 0.3984(5) 0.7320(3) 0.3298(3) 0.0366(15) Uani 1 1 d . . . . .
C9 C 0.3413(5) 0.6745(3) 0.3433(3) 0.0353(14) Uani 1 1 d . . . . .
C10 C 0.2269(6) 0.6745(4) 0.3191(4) 0.0529(19) Uani 1 1 d . . . . .
H10 H 0.1869 0.6371 0.3282 0.063 Uiso 1 1 calc R U . . .
C11 C 0.1714(6) 0.7294(4) 0.2815(5) 0.069(2) Uani 1 1 d . . . . .
H11 H 0.0946 0.7285 0.2650 0.083 Uiso 1 1 calc R U . . .
C12 C 0.2297(6) 0.7847(4) 0.2687(4) 0.060(2) Uani 1 1 d . . . . .
H12 H 0.1918 0.8212 0.2433 0.072 Uiso 1 1 calc R U . . .
C13 C 0.3438(6) 0.7877(3) 0.2927(3) 0.0461(17) Uani 1 1 d . . . . .
H13 H 0.3829 0.8258 0.2843 0.055 Uiso 1 1 calc R U . . .
C14 C 0.4045(5) 0.6118(3) 0.3746(3) 0.0347(14) Uani 1 1 d . . . . .
H14A H 0.3518 0.5771 0.3800 0.042 Uiso 1 1 calc R U . . .
H14B H 0.4447 0.5950 0.3404 0.042 Uiso 1 1 calc R U . . .
C15 C 0.5105(7) 0.8555(3) 0.4594(4) 0.0474(17) Uani 1 1 d . U . . .
C16 C 0.4342(6) 0.8073(3) 0.4720(3) 0.0414(16) Uani 1 1 d . . . . .
C17 C 0.3261(6) 0.8278(4) 0.4680(4) 0.0502(18) Uani 1 1 d . . . . .
H17 H 0.2748 0.7967 0.4770 0.060 Uiso 1 1 calc R U . . .
C18 C 0.2941(8) 0.8941(4) 0.4506(4) 0.066(2) Uani 1 1 d . . . . .
H18 H 0.2214 0.9072 0.4477 0.079 Uiso 1 1 calc R U . . .
C19 C 0.3695(8) 0.9409(4) 0.4375(5) 0.071(3) Uani 1 1 d . . . . .
H19 H 0.3473 0.9852 0.4252 0.085 Uiso 1 1 calc R U . . .
C20 C 0.4746(8) 0.9223(4) 0.4426(4) 0.061(2) Uani 1 1 d . . . . .
H20 H 0.5251 0.9545 0.4348 0.073 Uiso 1 1 calc R U . . .
C21 C 0.6255(7) 0.8388(3) 0.4718(4) 0.0495(17) Uani 1 1 d . U . . .
H21 H 0.6754 0.8747 0.4774 0.059 Uiso 1 1 calc R U . . .
C22 C 0.7815(6) 0.7674(3) 0.5059(3) 0.0429(16) Uani 1 1 d . . . . .
C23 C 0.8096(5) 0.7233(3) 0.5649(3) 0.0394(15) Uani 1 1 d . . . . .
C24 C 0.9210(6) 0.7111(4) 0.5958(4) 0.0539(19) Uani 1 1 d . . . . .
H24 H 0.9409 0.6815 0.6349 0.065 Uiso 1 1 calc R U . . .
C25 C 1.0030(7) 0.7423(5) 0.5693(5) 0.067(2) Uani 1 1 d . . . . .
H25 H 1.0773 0.7342 0.5910 0.081 Uiso 1 1 calc R U . . .
C26 C 0.9740(8) 0.7852(5) 0.5110(5) 0.078(3) Uani 1 1 d . . . . .
H26 H 1.0291 0.8058 0.4932 0.094 Uiso 1 1 calc R U . . .
C27 C 0.8632(7) 0.7983(4) 0.4781(4) 0.065(2) Uani 1 1 d . . . . .
H27 H 0.8439 0.8271 0.4383 0.078 Uiso 1 1 calc R U . . .
C28 C 0.7189(5) 0.6956(3) 0.5962(3) 0.0379(15) Uani 1 1 d . . . . .
H28A H 0.7519 0.6652 0.6357 0.045 Uiso 1 1 calc R U . . .
H28B H 0.6860 0.7330 0.6168 0.045 Uiso 1 1 calc R U . . .
C29 C 0.3265(6) 0.5366(4) 0.6660(3) 0.0451(17) Uani 1 1 d . . . . .
C30 C 0.2798(10) 0.5250(4) 0.7301(5) 0.093(4) Uani 1 1 d . . . . .
H30A H 0.3145 0.5552 0.7685 0.139 Uiso 1 1 calc R U . . .
H30B H 0.2935 0.4790 0.7463 0.139 Uiso 1 1 calc R U . . .
H30C H 0.2014 0.5332 0.7169 0.139 Uiso 1 1 calc R U . . .
C31 C 0.2234(6) 0.6185(3) 0.5057(3) 0.0425(16) Uani 1 1 d . . . . .
C32 C 0.1001(6) 0.5992(5) 0.4894(6) 0.086(3) Uani 1 1 d . . . . .
H32A H 0.0899 0.5635 0.5215 0.130 Uiso 1 1 calc R U . . .
H32B H 0.0760 0.5840 0.4402 0.130 Uiso 1 1 calc R U . . .
H32C H 0.0574 0.6380 0.4965 0.130 Uiso 1 1 calc R U . . .
C33 C 0.3692(7) 0.7906(4) 0.6387(4) 0.057(2) Uani 1 1 d . . . . .
H33 H 0.2968 0.7745 0.6288 0.068 Uiso 1 1 calc R U . . .
C34 C 0.4939(9) 0.8848(5) 0.6659(5) 0.097(3) Uani 1 1 d . . . . .
H34A H 0.5477 0.8491 0.6715 0.146 Uiso 1 1 calc R U . . .
H34B H 0.5088 0.9122 0.7089 0.146 Uiso 1 1 calc R U . . .
H34C H 0.4980 0.9124 0.6251 0.146 Uiso 1 1 calc R U . . .
C35 C 0.2931(10) 0.9018(5) 0.6526(6) 0.114(4) Uani 1 1 d . . . . .
H35A H 0.2855 0.9323 0.6124 0.171 Uiso 1 1 calc R U . . .
H35B H 0.3075 0.9273 0.6969 0.171 Uiso 1 1 calc R U . . .
H35C H 0.2258 0.8764 0.6476 0.171 Uiso 1 1 calc R U . . .
N1 N 0.5164(4) 0.7291(2) 0.3557(2) 0.0320(11) Uani 1 1 d . . . . .
N2 N 0.6656(5) 0.7788(3) 0.4759(3) 0.0400(13) Uani 1 1 d . . . . .
N3 N 0.1457(5) 0.4574(3) 0.4068(3) 0.0538(16) Uani 1 1 d . . . . .
N4 N 0.5934(5) 0.5881(3) 0.7384(3) 0.0513(15) Uani 1 1 d . U . . .
N5 N 0.3842(7) 0.8558(3) 0.6542(3) 0.067(2) Uani 1 1 d . . . . .
C36 C 0.014(4) 0.003(2) 0.624(2) 0.52(3) Uani 1 1 d D U . . .
H36A H 0.0696 -0.0214 0.6064 0.629 Uiso 1 1 calc R U . . .
H36B H -0.0254 0.0300 0.5827 0.629 Uiso 1 1 calc R U . . .
C37 C -0.075(3) -0.0553(19) 0.629(2) 0.50(2) Uani 1 1 d D U . . .
H37A H -0.1019 -0.0748 0.5814 0.744 Uiso 1 1 d R U . . .
H37B H -0.0402 -0.0898 0.6620 0.744 Uiso 1 1 d R U . . .
H37C H -0.1360 -0.0362 0.6447 0.744 Uiso 1 1 d R U . . .
O17 O 0.080(3) 0.0552(17) 0.6729(18) 0.54(2) Uani 1 1 d D U . . .
H17A H 0.1417 0.0583 0.6648 0.815 Uiso 1 1 calc R U . . .
H1 H 0.526(7) 0.531(4) 0.6094(12) 0.08(3) Uiso 1 1 d 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
Eu1 O1 2.389(4) . ?
Eu1 O9 2.396(4) . ?
Eu1 O16 2.417(4) . ?
Eu1 O12 2.451(5) . ?
Eu1 O5 2.473(4) . ?
Eu1 O13 2.477(4) . ?
Eu1 O11 2.485(4) . ?
Eu1 O4 2.521(4) . ?
Eu1 O3 2.589(4) . ?
Eu1 C31 2.800(7) . ?
Eu1 Co1 3.2291(9) . ?
Eu1 Eu2 3.7654(5) 3_666 ?
Eu1 H1 2.50(7) . ?
Eu2 O10 2.341(4) . ?
Eu2 O1 2.397(4) 3_666 ?
Eu2 O1 2.437(4) . ?
Eu2 O11 2.442(4) . ?
Eu2 O3 2.471(4) 3_666 ?
Eu2 O2 2.494(4) 3_666 ?
Eu2 O6 2.512(5) . ?
Eu2 O7 2.549(4) . ?
Eu2 O5 2.591(4) 3_666 ?
Eu2 N3 2.948(6) . ?
Eu2 Co1 3.2214(9) 3_666 ?
Eu2 Eu1 3.7654(5) 3_666 ?
Eu2 H1 2.79(7) . ?
Co1 O2 1.879(4) . ?
Co1 O4 1.885(4) . ?
Co1 N2 1.906(5) . ?
Co1 O3 1.907(4) . ?
Co1 N1 1.909(4) . ?
Co1 O5 1.921(4) . ?
Co1 Eu2 3.2214(9) 3_666 ?
O1 Eu2 2.397(4) 3_666 ?
O1 H1 0.83(2) . ?
O2 C1 1.335(7) . ?
O2 Eu2 2.494(4) 3_666 ?
O3 C14 1.445(6) . ?
O3 Eu2 2.471(4) 3_666 ?
O4 C16 1.338(7) . ?
O5 C28 1.430(7) . ?
O5 Eu2 2.591(4) 3_666 ?
O6 N3 1.269(7) . ?
O7 N3 1.275(7) . ?
O8 N3 1.221(7) . ?
O9 C29 1.250(7) . ?
O10 C29 1.251(8) . ?
O11 C31 1.272(7) . ?
O12 C31 1.237(8) . ?
O13 N4 1.279(7) . ?
O14 N4 1.226(7) . ?
O15 N4 1.247(7) . ?
O16 C33 1.239(8) . ?
C1 C2 1.403(9) . ?
C1 C6 1.410(9) . ?
C2 C3 1.367(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.412(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.371(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.396(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.411(9) . ?
C7 N1 1.296(7) . ?
C7 H7 0.9300 . ?
C8 C13 1.390(8) . ?
C8 C9 1.395(9) . ?
C8 N1 1.432(8) . ?
C9 C10 1.385(9) . ?
C9 C14 1.509(8) . ?
C10 C11 1.387(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.365(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.383(10) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C20 1.402(9) . ?
C15 C16 1.407(9) . ?
C15 C21 1.431(10) . ?
C16 C17 1.389(10) . ?
C17 C18 1.384(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.381(11) . ?
C18 H18 0.9300 . ?
C19 C20 1.339(11) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 N2 1.281(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.395(9) . ?
C22 C27 1.396(10) . ?
C22 N2 1.434(8) . ?
C23 C24 1.388(9) . ?
C23 C28 1.502(9) . ?
C24 C25 1.387(11) . ?
C24 H24 0.9300 . ?
C25 C26 1.372(12) . ?
C25 H25 0.9300 . ?
C26 C27 1.393(12) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.492(10) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.538(10) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 N5 1.321(9) . ?
C33 H33 0.9300 . ?
C34 N5 1.447(11) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 N5 1.447(11) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 O17 1.496(19) . ?
C36 C37 1.614(19) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
O17 H17A 0.8200 . ?

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
O1 Eu1 O9 83.78(14) . . ?
O1 Eu1 O16 150.23(14) . . ?
O9 Eu1 O16 85.51(15) . . ?
O1 Eu1 O12 124.09(14) . . ?
O9 Eu1 O12 75.21(16) . . ?
O16 Eu1 O12 79.29(16) . . ?
O1 Eu1 O5 75.11(13) . . ?
O9 Eu1 O5 141.97(14) . . ?
O16 Eu1 O5 97.32(15) . . ?
O12 Eu1 O5 142.70(14) . . ?
O1 Eu1 O13 78.45(14) . . ?
O9 Eu1 O13 70.58(15) . . ?
O16 Eu1 O13 71.79(15) . . ?
O12 Eu1 O13 136.29(15) . . ?
O5 Eu1 O13 74.38(13) . . ?
O1 Eu1 O11 71.75(13) . . ?
O9 Eu1 O11 73.35(14) . . ?
O16 Eu1 O11 130.82(15) . . ?
O12 Eu1 O11 52.77(14) . . ?
O5 Eu1 O11 126.55(13) . . ?
O13 Eu1 O11 135.03(14) . . ?
O1 Eu1 O4 126.94(13) . . ?
O9 Eu1 O4 148.11(14) . . ?
O16 Eu1 O4 71.07(14) . . ?
O12 Eu1 O4 79.29(14) . . ?
O5 Eu1 O4 64.79(13) . . ?
O13 Eu1 O4 119.20(14) . . ?
O11 Eu1 O4 105.63(13) . . ?
O1 Eu1 O3 69.66(12) . . ?
O9 Eu1 O3 140.75(13) . . ?
O16 Eu1 O3 131.11(13) . . ?
O12 Eu1 O3 95.88(14) . . ?
O5 Eu1 O3 58.39(12) . . ?
O13 Eu1 O3 127.83(14) . . ?
O11 Eu1 O3 71.18(13) . . ?
O4 Eu1 O3 60.32(12) . . ?
O1 Eu1 C31 97.91(17) . . ?
O9 Eu1 C31 68.92(18) . . ?
O16 Eu1 C31 103.97(19) . . ?
O12 Eu1 C31 26.18(16) . . ?
O5 Eu1 C31 144.34(16) . . ?
O13 Eu1 C31 139.48(17) . . ?
O11 Eu1 C31 27.02(16) . . ?
O4 Eu1 C31 95.46(17) . . ?
O3 Eu1 C31 86.22(16) . . ?
O1 Eu1 Co1 92.24(10) . . ?
O9 Eu1 Co1 175.98(10) . . ?
O16 Eu1 Co1 98.26(11) . . ?
O12 Eu1 Co1 106.77(11) . . ?
O5 Eu1 Co1 36.41(8) . . ?
O13 Eu1 Co1 109.21(11) . . ?
O11 Eu1 Co1 104.92(9) . . ?
O4 Eu1 Co1 35.64(9) . . ?
O3 Eu1 Co1 36.20(9) . . ?
C31 Eu1 Co1 111.26(14) . . ?
O1 Eu1 Eu2 38.18(10) . 3_666 ?
O9 Eu1 Eu2 121.86(10) . 3_666 ?
O16 Eu1 Eu2 140.33(12) . 3_666 ?
O12 Eu1 Eu2 131.96(11) . 3_666 ?
O5 Eu1 Eu2 43.18(9) . 3_666 ?
O13 Eu1 Eu2 89.81(11) . 3_666 ?
O11 Eu1 Eu2 87.06(9) . 3_666 ?
O4 Eu1 Eu2 89.52(9) . 3_666 ?
O3 Eu1 Eu2 40.73(8) . 3_666 ?
C31 Eu1 Eu2 112.27(14) . 3_666 ?
Co1 Eu1 Eu2 54.192(17) . 3_666 ?
O1 Eu1 H1 19.4(7) . . ?
O9 Eu1 H1 69.7(14) . . ?
O16 Eu1 H1 132.2(9) . . ?
O12 Eu1 H1 128.4(19) . . ?
O5 Eu1 H1 81.1(18) . . ?
O13 Eu1 H1 61.7(11) . . ?
O11 Eu1 H1 81.2(16) . . ?
O4 Eu1 H1 142.2(14) . . ?
O3 Eu1 H1 88.6(8) . . ?
C31 Eu1 H1 104.0(18) . . ?
Co1 Eu1 H1 106.6(14) . . ?
Eu2 Eu1 H1 53.2(12) 3_666 . ?
O10 Eu2 O1 145.27(15) . 3_666 ?
O10 Eu2 O1 77.11(14) . . ?
O1 Eu2 O1 68.25(14) 3_666 . ?
O10 Eu2 O11 75.23(14) . . ?
O1 Eu2 O11 95.68(13) 3_666 . ?
O1 Eu2 O11 71.69(13) . . ?
O10 Eu2 O3 98.65(14) . 3_666 ?
O1 Eu2 O3 71.59(13) 3_666 3_666 ?
O1 Eu2 O3 76.87(13) . 3_666 ?
O11 Eu2 O3 148.56(13) . 3_666 ?
O10 Eu2 O2 70.58(14) . 3_666 ?
O1 Eu2 O2 127.71(13) 3_666 3_666 ?
O1 Eu2 O2 123.81(13) . 3_666 ?
O11 Eu2 O2 136.42(13) . 3_666 ?
O3 Eu2 O2 64.52(13) 3_666 3_666 ?
O10 Eu2 O6 86.24(17) . . ?
O1 Eu2 O6 125.03(15) 3_666 . ?
O1 Eu2 O6 147.52(15) . . ?
O11 Eu2 O6 77.21(15) . . ?
O3 Eu2 O6 133.82(14) 3_666 . ?
O2 Eu2 O6 74.40(15) 3_666 . ?
O10 Eu2 O7 130.54(17) . . ?
O1 Eu2 O7 74.87(15) 3_666 . ?
O1 Eu2 O7 124.64(14) . . ?
O11 Eu2 O7 72.56(14) . . ?
O3 Eu2 O7 127.72(14) 3_666 . ?
O2 Eu2 O7 111.29(15) 3_666 . ?
O6 Eu2 O7 50.75(16) . . ?
O10 Eu2 O5 131.27(13) . 3_666 ?
O1 Eu2 O5 72.81(12) 3_666 3_666 ?
O1 Eu2 O5 127.75(13) . 3_666 ?
O11 Eu2 O5 146.54(12) . 3_666 ?
O3 Eu2 O5 58.38(12) 3_666 3_666 ?
O2 Eu2 O5 60.80(12) 3_666 3_666 ?
O6 Eu2 O5 84.03(15) . 3_666 ?
O7 Eu2 O5 74.10(13) . 3_666 ?
O10 Eu2 N3 108.08(19) . . ?
O1 Eu2 N3 100.30(17) 3_666 . ?
O1 Eu2 N3 140.20(15) . . ?
O11 Eu2 N3 71.81(15) . . ?
O3 Eu2 N3 137.65(15) 3_666 . ?
O2 Eu2 N3 93.88(16) 3_666 . ?
O6 Eu2 N3 25.30(16) . . ?
O7 Eu2 N3 25.53(16) . . ?
O5 Eu2 N3 79.37(15) 3_666 . ?
O10 Eu2 Co1 98.53(11) . 3_666 ?
O1 Eu2 Co1 92.28(9) 3_666 3_666 ?
O1 Eu2 Co1 112.19(9) . 3_666 ?
O11 Eu2 Co1 172.00(10) . 3_666 ?
O3 Eu2 Co1 36.21(9) 3_666 3_666 ?
O2 Eu2 Co1 35.59(9) 3_666 3_666 ?
O6 Eu2 Co1 97.61(11) . 3_666 ?
O7 Eu2 Co1 109.03(11) . 3_666 ?
O5 Eu2 Co1 36.60(8) 3_666 3_666 ?
N3 Eu2 Co1 106.07(12) . 3_666 ?
O10 Eu2 Eu1 141.65(12) . 3_666 ?
O1 Eu2 Eu1 38.03(9) 3_666 3_666 ?
O1 Eu2 Eu1 88.39(9) . 3_666 ?
O11 Eu2 Eu1 133.52(10) . 3_666 ?
O3 Eu2 Eu1 43.12(8) 3_666 3_666 ?
O2 Eu2 Eu1 89.68(9) 3_666 3_666 ?
O6 Eu2 Eu1 120.62(12) . 3_666 ?
O7 Eu2 Eu1 86.85(11) . 3_666 ?
O5 Eu2 Eu1 40.78(9) 3_666 3_666 ?
N3 Eu2 Eu1 105.70(13) . 3_666 ?
Co1 Eu2 Eu1 54.380(16) 3_666 3_666 ?
O10 Eu2 H1 62.2(12) . . ?
O1 Eu2 H1 83.1(12) 3_666 . ?
O1 Eu2 H1 16.6(10) . . ?
O11 Eu2 H1 76.2(16) . . ?
O3 Eu2 H1 73.8(16) 3_666 . ?
O2 Eu2 H1 109.2(11) 3_666 . ?
O6 Eu2 H1 142.9(15) . . ?
O7 Eu2 H1 139.4(12) . . ?
O5 Eu2 H1 131.0(16) 3_666 . ?
N3 Eu2 H1 148.0(16) . . ?
Co1 Eu2 H1 105.5(15) 3_666 . ?
Eu1 Eu2 H1 96.4(15) 3_666 . ?
O2 Co1 O4 172.61(18) . . ?
O2 Co1 N2 95.4(2) . . ?
O4 Co1 N2 90.0(2) . . ?
O2 Co1 O3 88.85(17) . . ?
O4 Co1 O3 85.23(18) . . ?
N2 Co1 O3 172.24(19) . . ?
O2 Co1 N1 90.21(19) . . ?
O4 Co1 N1 94.6(2) . . ?
N2 Co1 N1 92.3(2) . . ?
O3 Co1 N1 94.14(18) . . ?
O2 Co1 O5 85.30(17) . . ?
O4 Co1 O5 89.35(17) . . ?
N2 Co1 O5 93.48(19) . . ?
O3 Co1 O5 80.40(15) . . ?
N1 Co1 O5 172.98(19) . . ?
O2 Co1 Eu2 50.57(12) . 3_666 ?
O4 Co1 Eu2 122.04(12) . 3_666 ?
N2 Co1 Eu2 129.37(17) . 3_666 ?
O3 Co1 Eu2 49.94(12) . 3_666 ?
N1 Co1 Eu2 119.49(15) . 3_666 ?
O5 Co1 Eu2 53.54(11) . 3_666 ?
O2 Co1 Eu1 121.48(12) . . ?
O4 Co1 Eu1 51.20(12) . . ?
N2 Co1 Eu1 119.02(15) . . ?
O3 Co1 Eu1 53.29(11) . . ?
N1 Co1 Eu1 129.65(16) . . ?
O5 Co1 Eu1 49.84(12) . . ?
Eu2 Co1 Eu1 71.427(18) 3_666 . ?
Eu1 O1 Eu2 103.79(14) . 3_666 ?
Eu1 O1 Eu2 109.11(16) . . ?
Eu2 O1 Eu2 111.75(14) 3_666 . ?
Eu1 O1 H1 88(5) . . ?
Eu2 O1 H1 133(6) 3_666 . ?
Eu2 O1 H1 107(6) . . ?
C1 O2 Co1 122.2(4) . . ?
C1 O2 Eu2 143.2(4) . 3_666 ?
Co1 O2 Eu2 93.84(15) . 3_666 ?
C14 O3 Co1 116.9(3) . . ?
C14 O3 Eu2 120.4(3) . 3_666 ?
Co1 O3 Eu2 93.85(15) . 3_666 ?
C14 O3 Eu1 130.2(3) . . ?
Co1 O3 Eu1 90.51(14) . . ?
Eu2 O3 Eu1 96.15(11) 3_666 . ?
C16 O4 Co1 121.2(4) . . ?
C16 O4 Eu1 145.1(4) . . ?
Co1 O4 Eu1 93.15(16) . . ?
C28 O5 Co1 117.2(3) . . ?
C28 O5 Eu1 121.9(3) . . ?
Co1 O5 Eu1 93.75(15) . . ?
C28 O5 Eu2 129.1(4) . 3_666 ?
Co1 O5 Eu2 89.86(14) . 3_666 ?
Eu1 O5 Eu2 96.04(13) . 3_666 ?
N3 O6 Eu2 96.9(4) . . ?
N3 O7 Eu2 95.0(4) . . ?
C29 O9 Eu1 133.3(4) . . ?
C29 O10 Eu2 141.2(4) . . ?
C31 O11 Eu2 150.6(4) . . ?
C31 O11 Eu1 90.4(4) . . ?
Eu2 O11 Eu1 105.86(14) . . ?
C31 O12 Eu1 92.8(4) . . ?
N4 O13 Eu1 131.1(4) . . ?
C33 O16 Eu1 133.9(5) . . ?
O2 C1 C2 118.9(6) . . ?
O2 C1 C6 121.6(6) . . ?
C2 C1 C6 119.4(6) . . ?
C3 C2 C1 119.6(7) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 121.4(8) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 119.2(8) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 120.6(7) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 119.7(6) . . ?
C5 C6 C7 118.1(6) . . ?
C1 C6 C7 121.2(6) . . ?
N1 C7 C6 125.1(5) . . ?
N1 C7 H7 117.5 . . ?
C6 C7 H7 117.5 . . ?
C13 C8 C9 121.9(6) . . ?
C13 C8 N1 122.7(6) . . ?
C9 C8 N1 115.4(5) . . ?
C10 C9 C8 117.9(6) . . ?
C10 C9 C14 121.6(6) . . ?
C8 C9 C14 120.0(5) . . ?
C9 C10 C11 120.9(7) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C12 C11 C10 119.8(7) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 121.5(7) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C8 118.0(7) . . ?
C12 C13 H13 121.0 . . ?
C8 C13 H13 121.0 . . ?
O3 C14 C9 114.3(5) . . ?
O3 C14 H14A 108.7 . . ?
C9 C14 H14A 108.7 . . ?
O3 C14 H14B 108.7 . . ?
C9 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C20 C15 C16 119.0(7) . . ?
C20 C15 C21 120.3(7) . . ?
C16 C15 C21 120.3(6) . . ?
O4 C16 C17 119.7(6) . . ?
O4 C16 C15 121.8(6) . . ?
C17 C16 C15 118.6(6) . . ?
C18 C17 C16 120.4(8) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C19 C18 C17 120.4(8) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C20 C19 C18 119.9(7) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C15 121.7(8) . . ?
C19 C20 H20 119.2 . . ?
C15 C20 H20 119.2 . . ?
N2 C21 C15 125.6(7) . . ?
N2 C21 H21 117.2 . . ?
C15 C21 H21 117.2 . . ?
C23 C22 C27 121.0(7) . . ?
C23 C22 N2 116.7(6) . . ?
C27 C22 N2 122.3(6) . . ?
C24 C23 C22 118.5(7) . . ?
C24 C23 C28 122.5(6) . . ?
C22 C23 C28 118.8(6) . . ?
C25 C24 C23 121.1(7) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C26 C25 C24 119.7(8) . . ?
C26 C25 H25 120.2 . . ?
C24 C25 H25 120.2 . . ?
C25 C26 C27 121.0(8) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C26 C27 C22 118.7(8) . . ?
C26 C27 H27 120.7 . . ?
C22 C27 H27 120.7 . . ?
O5 C28 C23 115.9(5) . . ?
O5 C28 H28A 108.3 . . ?
C23 C28 H28A 108.3 . . ?
O5 C28 H28B 108.3 . . ?
C23 C28 H28B 108.3 . . ?
H28A C28 H28B 107.4 . . ?
O9 C29 O10 126.4(6) . . ?
O9 C29 C30 117.3(6) . . ?
O10 C29 C30 116.3(6) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O12 C31 O11 122.0(6) . . ?
O12 C31 C32 119.1(7) . . ?
O11 C31 C32 118.9(6) . . ?
O12 C31 Eu1 61.0(3) . . ?
O11 C31 Eu1 62.6(3) . . ?
C32 C31 Eu1 165.8(6) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O16 C33 N5 125.9(8) . . ?
O16 C33 H33 117.0 . . ?
N5 C33 H33 117.0 . . ?
N5 C34 H34A 109.5 . . ?
N5 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N5 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N5 C35 H35A 109.5 . . ?
N5 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N5 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C7 N1 C8 120.4(5) . . ?
C7 N1 Co1 121.8(4) . . ?
C8 N1 Co1 117.5(4) . . ?
C21 N2 C22 120.6(6) . . ?
C21 N2 Co1 122.6(5) . . ?
C22 N2 Co1 116.5(4) . . ?
O8 N3 O6 122.3(7) . . ?
O8 N3 O7 120.7(7) . . ?
O6 N3 O7 117.0(5) . . ?
O8 N3 Eu2 176.0(6) . . ?
O6 N3 Eu2 57.8(3) . . ?
O7 N3 Eu2 59.5(3) . . ?
O14 N4 O15 121.7(6) . . ?
O14 N4 O13 118.7(6) . . ?
O15 N4 O13 119.6(5) . . ?
C33 N5 C35 122.6(9) . . ?
C33 N5 C34 119.7(8) . . ?
C35 N5 C34 117.4(8) . . ?
O17 C36 C37 137(4) . . ?
O17 C36 H36A 102.8 . . ?
C37 C36 H36A 102.8 . . ?
O17 C36 H36B 102.8 . . ?
C37 C36 H36B 102.8 . . ?
H36A C36 H36B 105.0 . . ?
C36 C37 H37A 108.5 . . ?
C36 C37 H37B 109.9 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 110.0 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 O17 H17A 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
N2 Co1 O2 C1 -49.6(5) . . . . ?
O3 Co1 O2 C1 136.9(4) . . . . ?
N1 Co1 O2 C1 42.7(5) . . . . ?
O5 Co1 O2 C1 -142.7(4) . . . . ?
Eu2 Co1 O2 C1 172.1(5) 3_666 . . . ?
Eu1 Co1 O2 C1 -178.7(4) . . . . ?
N2 Co1 O2 Eu2 138.29(18) . . . 3_666 ?
O3 Co1 O2 Eu2 -35.24(14) . . . 3_666 ?
N1 Co1 O2 Eu2 -129.38(18) . . . 3_666 ?
O5 Co1 O2 Eu2 45.23(15) . . . 3_666 ?
Eu1 Co1 O2 Eu2 9.25(18) . . . 3_666 ?
N2 Co1 O4 C16 45.2(5) . . . . ?
O3 Co1 O4 C16 -140.9(5) . . . . ?
N1 Co1 O4 C16 -47.1(5) . . . . ?
O5 Co1 O4 C16 138.7(5) . . . . ?
Eu2 Co1 O4 C16 -176.4(4) 3_666 . . . ?
Eu1 Co1 O4 C16 173.7(5) . . . . ?
N2 Co1 O4 Eu1 -128.55(18) . . . . ?
O3 Co1 O4 Eu1 45.36(14) . . . . ?
N1 Co1 O4 Eu1 139.15(17) . . . . ?
O5 Co1 O4 Eu1 -35.06(15) . . . . ?
Eu2 Co1 O4 Eu1 9.85(18) 3_666 . . . ?
Co1 O2 C1 C2 157.5(5) . . . . ?
Eu2 O2 C1 C2 -35.7(10) 3_666 . . . ?
Co1 O2 C1 C6 -25.6(8) . . . . ?
Eu2 O2 C1 C6 141.2(6) 3_666 . . . ?
O2 C1 C2 C3 -179.5(8) . . . . ?
C6 C1 C2 C3 3.5(12) . . . . ?
C1 C2 C3 C4 -0.3(16) . . . . ?
C2 C3 C4 C5 -2.5(18) . . . . ?
C3 C4 C5 C6 2.1(17) . . . . ?
C4 C5 C6 C1 1.1(13) . . . . ?
C4 C5 C6 C7 -167.7(9) . . . . ?
O2 C1 C6 C5 179.1(7) . . . . ?
C2 C1 C6 C5 -3.9(11) . . . . ?
O2 C1 C6 C7 -12.4(10) . . . . ?
C2 C1 C6 C7 164.5(6) . . . . ?
C5 C6 C7 N1 -171.6(7) . . . . ?
C1 C6 C7 N1 19.7(10) . . . . ?
C13 C8 C9 C10 -0.5(9) . . . . ?
N1 C8 C9 C10 -179.6(6) . . . . ?
C13 C8 C9 C14 171.7(6) . . . . ?
N1 C8 C9 C14 -7.4(8) . . . . ?
C8 C9 C10 C11 1.1(11) . . . . ?
C14 C9 C10 C11 -171.0(7) . . . . ?
C9 C10 C11 C12 -0.8(13) . . . . ?
C10 C11 C12 C13 -0.2(13) . . . . ?
C11 C12 C13 C8 0.8(11) . . . . ?
C9 C8 C13 C12 -0.4(10) . . . . ?
N1 C8 C13 C12 178.6(6) . . . . ?
Co1 O3 C14 C9 -45.7(6) . . . . ?
Eu2 O3 C14 C9 -158.3(4) 3_666 . . . ?
Eu1 O3 C14 C9 70.6(6) . . . . ?
C10 C9 C14 O3 -129.2(6) . . . . ?
C8 C9 C14 O3 58.8(7) . . . . ?
Co1 O4 C16 C17 149.4(5) . . . . ?
Eu1 O4 C16 C17 -41.6(10) . . . . ?
Co1 O4 C16 C15 -32.1(8) . . . . ?
Eu1 O4 C16 C15 136.9(6) . . . . ?
C20 C15 C16 O4 -179.1(6) . . . . ?
C21 C15 C16 O4 -6.3(9) . . . . ?
C20 C15 C16 C17 -0.6(10) . . . . ?
C21 C15 C16 C17 172.2(6) . . . . ?
O4 C16 C17 C18 179.7(6) . . . . ?
C15 C16 C17 C18 1.1(10) . . . . ?
C16 C17 C18 C19 -0.4(11) . . . . ?
C17 C18 C19 C20 -0.9(13) . . . . ?
C18 C19 C20 C15 1.5(13) . . . . ?
C16 C15 C20 C19 -0.8(11) . . . . ?
C21 C15 C20 C19 -173.5(7) . . . . ?
C20 C15 C21 N2 -168.0(7) . . . . ?
C16 C15 C21 N2 19.3(10) . . . . ?
C27 C22 C23 C24 0.5(10) . . . . ?
N2 C22 C23 C24 -179.7(6) . . . . ?
C27 C22 C23 C28 175.4(6) . . . . ?
N2 C22 C23 C28 -4.8(9) . . . . ?
C22 C23 C24 C25 0.6(10) . . . . ?
C28 C23 C24 C25 -174.2(7) . . . . ?
C23 C24 C25 C26 -1.0(12) . . . . ?
C24 C25 C26 C27 0.4(14) . . . . ?
C25 C26 C27 C22 0.6(13) . . . . ?
C23 C22 C27 C26 -1.0(11) . . . . ?
N2 C22 C27 C26 179.2(7) . . . . ?
Co1 O5 C28 C23 -44.4(7) . . . . ?
Eu1 O5 C28 C23 -158.3(4) . . . . ?
Eu2 O5 C28 C23 70.0(6) 3_666 . . . ?
C24 C23 C28 O5 -128.6(6) . . . . ?
C22 C23 C28 O5 56.7(8) . . . . ?
Eu1 O9 C29 O10 -6.9(12) . . . . ?
Eu1 O9 C29 C30 174.6(6) . . . . ?
Eu2 O10 C29 O9 -10.6(14) . . . . ?
Eu2 O10 C29 C30 168.0(6) . . . . ?
Eu1 O12 C31 O11 -14.7(6) . . . . ?
Eu1 O12 C31 C32 163.7(6) . . . . ?
Eu2 O11 C31 O12 139.3(6) . . . . ?
Eu1 O11 C31 O12 14.5(6) . . . . ?
Eu2 O11 C31 C32 -39.1(12) . . . . ?
Eu1 O11 C31 C32 -163.9(6) . . . . ?
Eu2 O11 C31 Eu1 124.8(8) . . . . ?
Eu1 O16 C33 N5 -152.6(6) . . . . ?
C6 C7 N1 C8 -161.7(6) . . . . ?
C6 C7 N1 Co1 11.9(9) . . . . ?
C13 C8 N1 C7 -53.8(8) . . . . ?
C9 C8 N1 C7 125.3(6) . . . . ?
C13 C8 N1 Co1 132.4(5) . . . . ?
C9 C8 N1 Co1 -48.5(6) . . . . ?
C15 C21 N2 C22 -164.4(6) . . . . ?
C15 C21 N2 Co1 8.4(9) . . . . ?
C23 C22 N2 C21 122.6(7) . . . . ?
C27 C22 N2 C21 -57.6(9) . . . . ?
C23 C22 N2 Co1 -50.6(7) . . . . ?
C27 C22 N2 Co1 129.2(6) . . . . ?
Eu2 O6 N3 O8 -175.3(7) . . . . ?
Eu2 O6 N3 O7 5.9(6) . . . . ?
Eu2 O7 N3 O8 175.4(7) . . . . ?
Eu2 O7 N3 O6 -5.8(6) . . . . ?
Eu1 O13 N4 O14 -139.1(6) . . . . ?
Eu1 O13 N4 O15 41.1(9) . . . . ?
O16 C33 N5 C35 176.9(7) . . . . ?
O16 C33 N5 C34 3.5(11) . . . . ?

_refine_diff_density_max         1.823
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.155

####################################################################### 
# 
# 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_t
_database_code_depnum_ccdc_archive 'CCDC 1482626'
_audit_update_record             
;
2016-09-19 deposited with the CCDC.
2016-09-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H72 Co2 Gd4 N10 O32, 2(C2 H6 O)'
_chemical_formula_sum            'C74 H84 Co2 Gd4 N10 O34'
_chemical_formula_weight         2404.37

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.443(3)
_cell_length_b                   19.742(4)
_cell_length_c                   19.009(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.077(3)
_cell_angle_gamma                90
_cell_volume                     4529.2(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5242
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      24.07

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_F_000             2360
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    3.331
_shelx_estimated_absorpt_T_min   0.502
_shelx_estimated_absorpt_T_max   0.541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5020
_exptl_absorpt_correction_T_max  0.5414
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20682
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.511
_diffrn_reflns_theta_max         24.172
_diffrn_reflns_theta_full        24.172
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             7205
_reflns_number_gt                5401
_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       'APEX-II (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    
'SHELXL-2014/7 (Sheldrick, 2014) and DIAMOND (Brandenburg, 1999)'
_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)+(0.0883P)²] 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         7205
_refine_ls_number_parameters     567
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0460
_refine_ls_wR_factor_ref         0.1320
_refine_ls_wR_factor_gt          0.1184
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_restrained_S_all      0.997
_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
Gd1 Gd 0.44704(3) 0.64426(2) 0.57012(2) 0.03299(14) Uani 1 1 d . U . . .
Co1 Co 0.57472(9) 0.70021(5) 0.45341(6) 0.0326(3) Uani 1 1 d . . . . .
O1 O 0.5155(4) 0.5323(3) 0.5645(3) 0.0309(12) Uani 1 1 d D . . . .
O5 O 0.4823(4) 0.6214(3) 0.4443(3) 0.0337(12) Uani 1 1 d . . . . .
O4 O 0.6822(4) 0.6471(3) 0.4245(3) 0.0356(13) Uani 1 1 d . . . . .
O3 O 0.6319(4) 0.6597(3) 0.5470(3) 0.0359(13) Uani 1 1 d . . . . .
O13 O 0.5801(5) 0.6342(3) 0.6893(3) 0.0476(15) Uani 1 1 d . . . . .
O16 O 0.4437(5) 0.7478(3) 0.6359(3) 0.0512(13) Uani 1 1 d . U . . .
O2 O 0.4634(5) 0.7425(3) 0.4894(3) 0.0424(14) Uani 1 1 d . . . . .
O9 O 0.3557(5) 0.5958(3) 0.6553(3) 0.0451(15) Uani 1 1 d . . . . .
O12 O 0.2528(5) 0.6766(3) 0.5252(4) 0.0506(16) Uani 1 1 d . . . . .
N2 N 0.5159(5) 0.7289(3) 0.3557(3) 0.0338(15) Uani 1 1 d . . . . .
O15 O 0.5869(6) 0.5279(3) 0.7199(4) 0.0652(19) Uani 1 1 d . . . . .
N1 N 0.6655(6) 0.7786(4) 0.4757(4) 0.0430(17) Uani 1 1 d . . . . .
C28 C 0.4039(7) 0.6117(4) 0.3748(4) 0.0379(19) Uani 1 1 d . . . . .
H28A H 0.3513 0.5770 0.3802 0.045 Uiso 1 1 calc R U . . .
H28B H 0.4438 0.5950 0.3404 0.045 Uiso 1 1 calc R U . . .
N4 N 0.5928(7) 0.5885(4) 0.7383(4) 0.053(2) Uani 1 1 d . . . . .
C23 C 0.3407(7) 0.6740(4) 0.3436(4) 0.042(2) Uani 1 1 d . . . . .
O14 O 0.6132(9) 0.6052(4) 0.8013(4) 0.103(3) Uani 1 1 d . . . . .
C16 C 0.7363(7) 0.6695(5) 0.3759(5) 0.045(2) Uani 1 1 d . . . . .
C14 C 0.7181(7) 0.6957(5) 0.5967(4) 0.044(2) Uani 1 1 d . . . . .
H14A H 0.7509 0.6655 0.6364 0.052 Uiso 1 1 calc R U . . .
H14B H 0.6847 0.7331 0.6168 0.052 Uiso 1 1 calc R U . . .
C29 C 0.3249(8) 0.5368(4) 0.6660(5) 0.048(2) Uani 1 1 d . . . . .
N5 N 0.3850(9) 0.8543(4) 0.6546(5) 0.069(3) Uani 1 1 d . . . . .
C27 C 0.3437(7) 0.7878(4) 0.2924(5) 0.045(2) Uani 1 1 d . . . . .
H27 H 0.3830 0.8257 0.2837 0.054 Uiso 1 1 calc R U . . .
C7 C 0.6255(8) 0.8394(5) 0.4715(5) 0.052(2) Uani 1 1 d . . . . .
H7 H 0.6752 0.8753 0.4772 0.062 Uiso 1 1 calc R U . . .
C15 C 0.6928(7) 0.7209(5) 0.3255(4) 0.045(2) Uani 1 1 d . . . . .
C8 C 0.7834(8) 0.7679(5) 0.5068(5) 0.049(2) Uani 1 1 d . U . . .
C1 C 0.5103(8) 0.8550(4) 0.4589(5) 0.047(2) Uani 1 1 d . . . . .
C6 C 0.4324(8) 0.8070(4) 0.4712(4) 0.044(2) Uani 1 1 d . . . . .
C9 C 0.8101(7) 0.7237(4) 0.5656(5) 0.045(2) Uani 1 1 d . U . . .
C21 C 0.5794(7) 0.7399(4) 0.3124(4) 0.042(2) Uani 1 1 d . . . . .
H21 H 0.5485 0.7621 0.2690 0.050 Uiso 1 1 calc R U . . .
C22 C 0.3984(7) 0.7320(4) 0.3299(4) 0.038(2) Uani 1 1 d . . . . .
C17 C 0.8392(7) 0.6400(5) 0.3757(6) 0.056(3) Uani 1 1 d . . . . .
H17 H 0.8673 0.6050 0.4077 0.068 Uiso 1 1 calc R U . . .
C5 C 0.3251(8) 0.8275(5) 0.4676(5) 0.053(2) Uani 1 1 d . . . . .
H5 H 0.2738 0.7964 0.4765 0.064 Uiso 1 1 calc R U . . .
C33 C 0.3698(9) 0.7893(4) 0.6382(5) 0.0516(14) Uani 1 1 d . U . . .
H33 H 0.2974 0.7733 0.6276 0.062 Uiso 1 1 calc R U . . .
C31 C 0.2226(7) 0.6190(5) 0.5056(5) 0.044(2) Uani 1 1 d . . . . .
C10 C 0.9208(8) 0.7117(5) 0.5954(5) 0.057(3) Uani 1 1 d . . . . .
H10 H 0.9404 0.6820 0.6344 0.068 Uiso 1 1 calc R U . . .
C24 C 0.2271(8) 0.6741(6) 0.3193(5) 0.059(3) Uani 1 1 d . . . . .
H24 H 0.1867 0.6368 0.3282 0.071 Uiso 1 1 calc R U . . .
C2 C 0.4749(10) 0.9218(5) 0.4422(5) 0.065(3) Uani 1 1 d . . . . .
H2 H 0.5256 0.9538 0.4344 0.078 Uiso 1 1 calc R U . . .
C13 C 0.8635(9) 0.7991(5) 0.4777(6) 0.064(3) Uani 1 1 d . U . . .
H13 H 0.8442 0.8280 0.4380 0.076 Uiso 1 1 calc R U . . .
C26 C 0.2302(9) 0.7854(6) 0.2686(6) 0.067(3) Uani 1 1 d . . . . .
H26 H 0.1923 0.8221 0.2434 0.080 Uiso 1 1 calc R U . . .
C20 C 0.7532(9) 0.7424(6) 0.2768(6) 0.077(4) Uani 1 1 d . . . . .
H20 H 0.7244 0.7759 0.2430 0.093 Uiso 1 1 calc R U . . .
C3 C 0.3678(10) 0.9411(6) 0.4370(6) 0.074(3) Uani 1 1 d . U . . .
H3 H 0.3453 0.9853 0.4245 0.089 Uiso 1 1 calc R U . . .
C4 C 0.2934(10) 0.8937(5) 0.4508(6) 0.072(3) Uani 1 1 d . U . . .
H4 H 0.2209 0.9068 0.4486 0.086 Uiso 1 1 calc R U . . .
C25 C 0.1719(9) 0.7292(6) 0.2816(7) 0.075(3) Uani 1 1 d . . . . .
H25 H 0.0951 0.7282 0.2651 0.090 Uiso 1 1 calc R U . . .
C12 C 0.9752(10) 0.7847(7) 0.5116(7) 0.084(4) Uani 1 1 d . . . . .
H12 H 1.0308 0.8047 0.4937 0.101 Uiso 1 1 calc R U . . .
C18 C 0.8980(9) 0.6633(8) 0.3280(7) 0.098(5) Uani 1 1 d . . . . .
H18 H 0.9670 0.6447 0.3289 0.118 Uiso 1 1 calc R U . . .
C11 C 1.0042(9) 0.7420(6) 0.5699(7) 0.071(3) Uani 1 1 d . . . . .
H11 H 1.0783 0.7335 0.5919 0.086 Uiso 1 1 calc R U . . .
C19 C 0.8554(10) 0.7146(8) 0.2780(7) 0.111(6) Uani 1 1 d . . . . .
H19 H 0.8958 0.7299 0.2460 0.133 Uiso 1 1 calc R U . . .
C30 C 0.2787(13) 0.5252(6) 0.7285(7) 0.100(5) Uani 1 1 d . . . . .
H30A H 0.3157 0.5537 0.7679 0.149 Uiso 1 1 calc R U . . .
H30B H 0.2889 0.4786 0.7430 0.149 Uiso 1 1 calc R U . . .
H30C H 0.2010 0.5356 0.7158 0.149 Uiso 1 1 calc R U . . .
C35 C 0.4923(13) 0.8845(6) 0.6661(7) 0.103(5) Uani 1 1 d . . . . .
H35A H 0.5478 0.8496 0.6753 0.155 Uiso 1 1 calc R U . . .
H35B H 0.5040 0.9144 0.7071 0.155 Uiso 1 1 calc R U . . .
H35C H 0.4971 0.9097 0.6238 0.155 Uiso 1 1 calc R U . . .
C32 C 0.1021(9) 0.5981(6) 0.4902(8) 0.093(4) Uani 1 1 d . . . . .
H32A H 0.0961 0.5558 0.5138 0.139 Uiso 1 1 calc R U . . .
H32B H 0.0731 0.5932 0.4388 0.139 Uiso 1 1 calc R U . . .
H32C H 0.0607 0.6322 0.5083 0.139 Uiso 1 1 calc R U . . .
C34 C 0.2930(13) 0.9008(7) 0.6542(8) 0.124(6) Uani 1 1 d . . . . .
H34A H 0.2668 0.9197 0.6065 0.186 Uiso 1 1 calc R U . . .
H34B H 0.3179 0.9366 0.6884 0.186 Uiso 1 1 calc R U . . .
H34C H 0.2338 0.8765 0.6673 0.186 Uiso 1 1 calc R U . . .
C36 C 0.994(4) 0.994(3) 0.372(3) 0.50(4) Uani 1 1 d D U . . .
H36A H 1.0485 0.9582 0.3857 0.604 Uiso 1 1 calc R U . . .
H36B H 0.9691 1.0023 0.4157 0.604 Uiso 1 1 calc R U . . .
C37 C 1.074(5) 1.054(3) 0.377(4) 0.58(5) Uani 1 1 d D U . . .
H37A H 1.0969 1.0740 0.4245 0.877 Uiso 1 1 d R U . . .
H37B H 1.1363 1.0350 0.3634 0.877 Uiso 1 1 d R U . . .
H37C H 1.0411 1.0888 0.3427 0.877 Uiso 1 1 d R U . . .
O17 O 0.902(3) 0.9522(19) 0.335(2) 0.52(3) Uani 1 1 d D U . . .
H17A H 0.8438 0.9676 0.3412 0.783 Uiso 1 1 calc DR U . . .
O11 O 0.2942(4) 0.5732(3) 0.4994(3) 0.0359(13) Uani 1 1 d . . . . .
O10 O 0.3312(5) 0.4863(3) 0.6274(3) 0.0500(16) Uani 1 1 d . . . . .
Gd2 Gd 0.36185(3) 0.45679(2) 0.51413(2) 0.03112(14) Uani 1 1 d . U . . .
O7 O 0.1569(5) 0.4422(3) 0.4738(4) 0.0573(17) Uani 1 1 d . . . . .
O6 O 0.2366(6) 0.4673(3) 0.3879(3) 0.0554(17) Uani 1 1 d . U . . .
N3 N 0.1462(7) 0.4571(4) 0.4070(5) 0.061(2) Uani 1 1 d . . . . .
O8 O 0.0565(7) 0.4621(5) 0.3643(5) 0.100(3) Uani 1 1 d . . . . .
H1 H 0.551(8) 0.524(5) 0.607(2) 0.08(4) Uiso 1 1 d 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 O1 2.379(5) . ?
Gd1 O9 2.393(5) . ?
Gd1 O16 2.402(6) . ?
Gd1 O12 2.444(6) . ?
Gd1 O3 2.464(5) . ?
Gd1 O13 2.467(6) . ?
Gd1 O11 2.479(5) . ?
Gd1 O2 2.512(5) . ?
Gd1 O5 2.575(5) . ?
Gd1 C31 2.808(9) . ?
Gd1 Co1 3.2219(12) . ?
Gd1 Gd2 3.7485(7) 3_666 ?
Co1 O2 1.882(5) . ?
Co1 O4 1.883(5) . ?
Co1 N1 1.901(7) . ?
Co1 N2 1.910(7) . ?
Co1 O5 1.917(5) . ?
Co1 O3 1.922(5) . ?
Co1 Gd2 3.2207(13) 3_666 ?
O1 Gd2 2.391(5) 3_666 ?
O1 Gd2 2.430(5) . ?
O1 H1 0.84(2) . ?
O5 C28 1.452(9) . ?
O5 Gd2 2.454(5) 3_666 ?
O4 C16 1.344(10) . ?
O4 Gd2 2.486(5) 3_666 ?
O3 C14 1.434(9) . ?
O3 Gd2 2.586(5) 3_666 ?
O13 N4 1.279(9) . ?
O16 C33 1.240(10) . ?
O2 C6 1.351(10) . ?
O9 C29 1.258(10) . ?
O12 C31 1.226(10) . ?
N2 C21 1.290(10) . ?
N2 C22 1.426(10) . ?
O15 N4 1.244(9) . ?
N1 C7 1.295(11) . ?
N1 C8 1.458(11) . ?
C28 C23 1.502(11) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
N4 O14 1.208(10) . ?
C23 C24 1.376(12) . ?
C23 C22 1.410(12) . ?
C16 C17 1.406(12) . ?
C16 C15 1.410(12) . ?
C14 C9 1.514(12) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C29 O10 1.253(10) . ?
C29 C30 1.458(13) . ?
N5 C33 1.323(12) . ?
N5 C35 1.429(15) . ?
N5 C34 1.467(14) . ?
C27 C26 1.375(13) . ?
C27 C22 1.396(11) . ?
C27 H27 0.9300 . ?
C7 C1 1.429(13) . ?
C7 H7 0.9300 . ?
C15 C20 1.394(12) . ?
C15 C21 1.423(12) . ?
C8 C13 1.395(12) . ?
C8 C9 1.394(13) . ?
C1 C2 1.402(12) . ?
C1 C6 1.416(12) . ?
C6 C5 1.381(13) . ?
C9 C10 1.376(13) . ?
C21 H21 0.9300 . ?
C17 C18 1.375(14) . ?
C17 H17 0.9300 . ?
C5 C4 1.381(13) . ?
C5 H5 0.9300 . ?
C33 H33 0.9300 . ?
C31 O11 1.294(10) . ?
C31 C32 1.514(14) . ?
C10 C11 1.384(14) . ?
C10 H10 0.9300 . ?
C24 C25 1.389(14) . ?
C24 H24 0.9300 . ?
C2 C3 1.366(15) . ?
C2 H2 0.9300 . ?
C13 C12 1.412(16) . ?
C13 H13 0.9300 . ?
C26 C25 1.381(15) . ?
C26 H26 0.9300 . ?
C20 C19 1.379(14) . ?
C20 H20 0.9300 . ?
C3 C4 1.384(15) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C25 H25 0.9300 . ?
C12 C11 1.369(17) . ?
C12 H12 0.9300 . ?
C18 C19 1.402(16) . ?
C18 H18 0.9300 . ?
C11 H11 0.9300 . ?
C19 H19 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C36 O17 1.446(10) . ?
C36 C37 1.543(10) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9601 . ?
O17 H17A 0.8200 . ?
O11 Gd2 2.440(5) . ?
O10 Gd2 2.349(6) . ?
Gd2 O1 2.391(5) 3_666 ?
Gd2 O5 2.454(5) 3_666 ?
Gd2 O4 2.486(5) 3_666 ?
Gd2 O7 2.494(6) . ?
Gd2 O6 2.531(6) . ?
Gd2 O3 2.586(5) 3_666 ?
Gd2 N3 2.947(9) . ?
Gd2 Co1 3.2208(13) 3_666 ?
Gd2 Gd1 3.7485(7) 3_666 ?
O7 N3 1.277(10) . ?
O6 N3 1.279(10) . ?
N3 O8 1.214(10) . ?

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
O1 Gd1 O9 83.89(18) . . ?
O1 Gd1 O16 149.9(2) . . ?
O9 Gd1 O16 85.25(19) . . ?
O1 Gd1 O12 124.13(19) . . ?
O9 Gd1 O12 75.4(2) . . ?
O16 Gd1 O12 79.6(2) . . ?
O1 Gd1 O3 75.33(18) . . ?
O9 Gd1 O3 142.01(19) . . ?
O16 Gd1 O3 97.0(2) . . ?
O12 Gd1 O3 142.40(19) . . ?
O1 Gd1 O13 78.43(19) . . ?
O9 Gd1 O13 70.7(2) . . ?
O16 Gd1 O13 71.5(2) . . ?
O12 Gd1 O13 136.7(2) . . ?
O3 Gd1 O13 74.15(18) . . ?
O1 Gd1 O11 71.70(18) . . ?
O9 Gd1 O11 73.30(19) . . ?
O16 Gd1 O11 131.0(2) . . ?
O12 Gd1 O11 52.81(18) . . ?
O3 Gd1 O11 126.84(17) . . ?
O13 Gd1 O11 135.00(19) . . ?
O1 Gd1 O2 127.30(17) . . ?
O9 Gd1 O2 147.64(18) . . ?
O16 Gd1 O2 71.04(19) . . ?
O12 Gd1 O2 78.78(19) . . ?
O3 Gd1 O2 65.00(17) . . ?
O13 Gd1 O2 119.15(19) . . ?
O11 Gd1 O2 105.73(18) . . ?
O1 Gd1 O5 69.61(17) . . ?
O9 Gd1 O5 140.82(18) . . ?
O16 Gd1 O5 131.37(18) . . ?
O12 Gd1 O5 95.67(19) . . ?
O3 Gd1 O5 58.55(16) . . ?
O13 Gd1 O5 127.67(18) . . ?
O11 Gd1 O5 71.27(16) . . ?
O2 Gd1 O5 60.66(17) . . ?
O1 Gd1 C31 98.3(2) . . ?
O9 Gd1 C31 68.8(2) . . ?
O16 Gd1 C31 103.7(2) . . ?
O12 Gd1 C31 25.8(2) . . ?
O3 Gd1 C31 144.7(2) . . ?
O13 Gd1 C31 139.5(2) . . ?
O11 Gd1 C31 27.4(2) . . ?
O2 Gd1 C31 95.2(2) . . ?
O5 Gd1 C31 86.5(2) . . ?
O1 Gd1 Co1 92.61(13) . . ?
O9 Gd1 Co1 176.47(13) . . ?
O16 Gd1 Co1 98.05(15) . . ?
O12 Gd1 Co1 106.33(15) . . ?
O3 Gd1 Co1 36.54(12) . . ?
O13 Gd1 Co1 109.08(14) . . ?
O11 Gd1 Co1 105.21(12) . . ?
O2 Gd1 Co1 35.67(12) . . ?
O5 Gd1 Co1 36.51(11) . . ?
C31 Gd1 Co1 111.37(17) . . ?
O1 Gd1 Gd2 38.33(13) . 3_666 ?
O9 Gd1 Gd2 122.12(14) . 3_666 ?
O16 Gd1 Gd2 140.19(16) . 3_666 ?
O12 Gd1 Gd2 131.76(15) . 3_666 ?
O3 Gd1 Gd2 43.33(12) . 3_666 ?
O13 Gd1 Gd2 89.77(14) . 3_666 ?
O11 Gd1 Gd2 87.14(12) . 3_666 ?
O2 Gd1 Gd2 89.74(12) . 3_666 ?
O5 Gd1 Gd2 40.59(12) . 3_666 ?
C31 Gd1 Gd2 112.68(18) . 3_666 ?
Co1 Gd1 Gd2 54.41(2) . 3_666 ?
O2 Co1 O4 172.0(2) . . ?
O2 Co1 N1 90.5(3) . . ?
O4 Co1 N1 95.3(3) . . ?
O2 Co1 N2 94.6(3) . . ?
O4 Co1 N2 90.7(3) . . ?
N1 Co1 N2 92.4(3) . . ?
O2 Co1 O5 85.1(2) . . ?
O4 Co1 O5 88.5(2) . . ?
N1 Co1 O5 172.3(3) . . ?
N2 Co1 O5 94.2(2) . . ?
O2 Co1 O3 89.3(2) . . ?
O4 Co1 O3 84.8(2) . . ?
N1 Co1 O3 93.8(3) . . ?
N2 Co1 O3 172.7(3) . . ?
O5 Co1 O3 79.9(2) . . ?
O2 Co1 Gd2 121.65(17) . 3_666 ?
O4 Co1 Gd2 50.34(15) . 3_666 ?
N1 Co1 Gd2 129.5(2) . 3_666 ?
N2 Co1 Gd2 119.35(19) . 3_666 ?
O5 Co1 Gd2 49.46(16) . 3_666 ?
O3 Co1 Gd2 53.40(16) . 3_666 ?
O2 Co1 Gd1 51.11(17) . . ?
O4 Co1 Gd1 120.93(16) . . ?
N1 Co1 Gd1 119.4(2) . . ?
N2 Co1 Gd1 129.4(2) . . ?
O5 Co1 Gd1 53.04(15) . . ?
O3 Co1 Gd1 49.73(16) . . ?
Gd2 Co1 Gd1 71.16(2) 3_666 . ?
Gd1 O1 Gd2 103.6(2) . 3_666 ?
Gd1 O1 Gd2 109.4(2) . . ?
Gd2 O1 Gd2 111.7(2) 3_666 . ?
Gd1 O1 H1 104(7) . . ?
Gd2 O1 H1 111(8) 3_666 . ?
Gd2 O1 H1 116(8) . . ?
C28 O5 Co1 116.4(4) . . ?
C28 O5 Gd2 120.9(4) . 3_666 ?
Co1 O5 Gd2 94.1(2) . 3_666 ?
C28 O5 Gd1 129.8(4) . . ?
Co1 O5 Gd1 90.45(19) . . ?
Gd2 O5 Gd1 96.37(17) 3_666 . ?
C16 O4 Co1 121.9(5) . . ?
C16 O4 Gd2 143.0(5) . 3_666 ?
Co1 O4 Gd2 93.98(19) . 3_666 ?
C14 O3 Co1 116.9(5) . . ?
C14 O3 Gd1 121.7(5) . . ?
Co1 O3 Gd1 93.7(2) . . ?
C14 O3 Gd2 129.6(5) . 3_666 ?
Co1 O3 Gd2 90.0(2) . 3_666 ?
Gd1 O3 Gd2 95.84(17) . 3_666 ?
N4 O13 Gd1 131.5(5) . . ?
C33 O16 Gd1 133.4(6) . . ?
C6 O2 Co1 121.0(5) . . ?
C6 O2 Gd1 145.4(5) . . ?
Co1 O2 Gd1 93.2(2) . . ?
C29 O9 Gd1 133.9(5) . . ?
C31 O12 Gd1 93.9(5) . . ?
C21 N2 C22 120.6(7) . . ?
C21 N2 Co1 121.4(6) . . ?
C22 N2 Co1 117.7(5) . . ?
C7 N1 C8 119.5(8) . . ?
C7 N1 Co1 122.9(6) . . ?
C8 N1 Co1 117.2(6) . . ?
O5 C28 C23 115.0(7) . . ?
O5 C28 H28A 108.5 . . ?
C23 C28 H28A 108.5 . . ?
O5 C28 H28B 108.5 . . ?
C23 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
O14 N4 O15 121.6(8) . . ?
O14 N4 O13 119.3(8) . . ?
O15 N4 O13 119.1(7) . . ?
C24 C23 C22 117.7(8) . . ?
C24 C23 C28 122.1(8) . . ?
C22 C23 C28 119.8(7) . . ?
O4 C16 C17 118.3(8) . . ?
O4 C16 C15 122.0(8) . . ?
C17 C16 C15 119.7(8) . . ?
O3 C14 C9 116.1(7) . . ?
O3 C14 H14A 108.3 . . ?
C9 C14 H14A 108.3 . . ?
O3 C14 H14B 108.3 . . ?
C9 C14 H14B 108.3 . . ?
H14A C14 H14B 107.4 . . ?
O10 C29 O9 125.3(8) . . ?
O10 C29 C30 116.5(8) . . ?
O9 C29 C30 118.3(8) . . ?
C33 N5 C35 121.0(10) . . ?
C33 N5 C34 122.6(11) . . ?
C35 N5 C34 116.0(10) . . ?
C26 C27 C22 118.4(8) . . ?
C26 C27 H27 120.8 . . ?
C22 C27 H27 120.8 . . ?
N1 C7 C1 124.4(8) . . ?
N1 C7 H7 117.8 . . ?
C1 C7 H7 117.8 . . ?
C20 C15 C16 119.4(9) . . ?
C20 C15 C21 118.4(8) . . ?
C16 C15 C21 120.6(7) . . ?
C13 C8 C9 122.8(9) . . ?
C13 C8 N1 121.4(9) . . ?
C9 C8 N1 115.8(7) . . ?
C2 C1 C6 118.6(9) . . ?
C2 C1 C7 119.2(9) . . ?
C6 C1 C7 121.8(8) . . ?
O2 C6 C5 120.1(8) . . ?
O2 C6 C1 120.6(8) . . ?
C5 C6 C1 119.2(8) . . ?
C10 C9 C8 117.2(9) . . ?
C10 C9 C14 123.6(9) . . ?
C8 C9 C14 119.1(8) . . ?
N2 C21 C15 125.4(8) . . ?
N2 C21 H21 117.3 . . ?
C15 C21 H21 117.3 . . ?
C27 C22 C23 121.9(8) . . ?
C27 C22 N2 122.8(7) . . ?
C23 C22 N2 115.3(7) . . ?
C18 C17 C16 119.6(9) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C4 C5 C6 120.5(10) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
O16 C33 N5 125.7(10) . . ?
O16 C33 H33 117.1 . . ?
N5 C33 H33 117.1 . . ?
O12 C31 O11 120.6(8) . . ?
O12 C31 C32 121.8(8) . . ?
O11 C31 C32 117.6(9) . . ?
O12 C31 Gd1 60.3(5) . . ?
O11 C31 Gd1 62.0(4) . . ?
C32 C31 Gd1 165.0(8) . . ?
C9 C10 C11 122.9(10) . . ?
C9 C10 H10 118.6 . . ?
C11 C10 H10 118.6 . . ?
C23 C24 C25 120.9(9) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C3 C2 C1 121.6(10) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C8 C13 C12 116.7(10) . . ?
C8 C13 H13 121.7 . . ?
C12 C13 H13 121.7 . . ?
C27 C26 C25 120.7(9) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C19 C20 C15 120.7(10) . . ?
C19 C20 H20 119.7 . . ?
C15 C20 H20 119.7 . . ?
C2 C3 C4 119.0(10) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 121.1(10) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C26 C25 C24 120.4(10) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C11 C12 C13 122.0(10) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C17 C18 C19 121.0(10) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C12 C11 C10 118.5(11) . . ?
C12 C11 H11 120.8 . . ?
C10 C11 H11 120.8 . . ?
C20 C19 C18 119.6(10) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N5 C35 H35A 109.5 . . ?
N5 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N5 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N5 C34 H34A 109.5 . . ?
N5 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N5 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O17 C36 C37 153(7) . . ?
O17 C36 H36A 98.2 . . ?
C37 C36 H36A 98.2 . . ?
O17 C36 H36B 98.2 . . ?
C37 C36 H36B 98.2 . . ?
H36A C36 H36B 103.8 . . ?
C36 C37 H37A 114.7 . . ?
C36 C37 H37B 103.2 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 110.3 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 O17 H17A 109.5 . . ?
C31 O11 Gd2 150.9(5) . . ?
C31 O11 Gd1 90.5(5) . . ?
Gd2 O11 Gd1 105.84(19) . . ?
C29 O10 Gd2 141.5(6) . . ?
O10 Gd2 O1 145.2(2) . 3_666 ?
O10 Gd2 O1 76.96(19) . . ?
O1 Gd2 O1 68.3(2) 3_666 . ?
O10 Gd2 O11 75.12(19) . . ?
O1 Gd2 O11 95.68(17) 3_666 . ?
O1 Gd2 O11 71.54(17) . . ?
O10 Gd2 O5 98.8(2) . 3_666 ?
O1 Gd2 O5 71.53(17) 3_666 3_666 ?
O1 Gd2 O5 77.00(17) . 3_666 ?
O11 Gd2 O5 148.53(17) . 3_666 ?
O10 Gd2 O4 70.79(18) . 3_666 ?
O1 Gd2 O4 127.89(17) 3_666 3_666 ?
O1 Gd2 O4 124.31(18) . 3_666 ?
O11 Gd2 O4 136.19(16) . 3_666 ?
O5 Gd2 O4 64.96(17) 3_666 3_666 ?
O10 Gd2 O7 85.9(2) . . ?
O1 Gd2 O7 125.3(2) 3_666 . ?
O1 Gd2 O7 147.1(2) . . ?
O11 Gd2 O7 77.0(2) . . ?
O5 Gd2 O7 134.01(19) 3_666 . ?
O4 Gd2 O7 73.9(2) 3_666 . ?
O10 Gd2 O6 130.4(2) . . ?
O1 Gd2 O6 74.9(2) 3_666 . ?
O1 Gd2 O6 124.5(2) . . ?
O11 Gd2 O6 72.48(19) . . ?
O5 Gd2 O6 127.78(19) 3_666 . ?
O4 Gd2 O6 110.9(2) 3_666 . ?
O7 Gd2 O6 51.0(2) . . ?
O10 Gd2 O3 131.41(18) . 3_666 ?
O1 Gd2 O3 72.87(17) 3_666 3_666 ?
O1 Gd2 O3 128.03(17) . 3_666 ?
O11 Gd2 O3 146.43(17) . 3_666 ?
O5 Gd2 O3 58.51(16) 3_666 3_666 ?
O4 Gd2 O3 60.74(16) 3_666 3_666 ?
O7 Gd2 O3 84.2(2) . 3_666 ?
O6 Gd2 O3 74.07(18) . 3_666 ?
O10 Gd2 N3 108.0(2) . . ?
O1 Gd2 N3 100.4(2) 3_666 . ?
O1 Gd2 N3 140.1(2) . . ?
O11 Gd2 N3 71.8(2) . . ?
O5 Gd2 N3 137.7(2) 3_666 . ?
O4 Gd2 N3 93.3(2) 3_666 . ?
O7 Gd2 N3 25.4(2) . . ?
O6 Gd2 N3 25.6(2) . . ?
O3 Gd2 N3 79.2(2) 3_666 . ?
O10 Gd2 Co1 98.61(15) . 3_666 ?
O1 Gd2 Co1 92.41(12) 3_666 3_666 ?
O1 Gd2 Co1 112.49(13) . 3_666 ?
O11 Gd2 Co1 171.87(12) . 3_666 ?
O5 Gd2 Co1 36.42(12) 3_666 3_666 ?
O4 Gd2 Co1 35.68(12) 3_666 3_666 ?
O7 Gd2 Co1 97.59(16) . 3_666 ?
O6 Gd2 Co1 109.01(14) . 3_666 ?
O3 Gd2 Co1 36.65(11) 3_666 3_666 ?
N3 Gd2 Co1 105.89(17) . 3_666 ?
O10 Gd2 Gd1 141.69(16) . 3_666 ?
O1 Gd2 Gd1 38.10(12) 3_666 3_666 ?
O1 Gd2 Gd1 88.56(12) . 3_666 ?
O11 Gd2 Gd1 133.58(12) . 3_666 ?
O5 Gd2 Gd1 43.05(11) 3_666 3_666 ?
O4 Gd2 Gd1 89.80(12) 3_666 3_666 ?
O7 Gd2 Gd1 120.95(16) . 3_666 ?
O6 Gd2 Gd1 86.95(15) . 3_666 ?
O3 Gd2 Gd1 40.83(11) 3_666 3_666 ?
N3 Gd2 Gd1 105.76(18) . 3_666 ?
Co1 Gd2 Gd1 54.44(2) 3_666 3_666 ?
N3 O7 Gd2 97.5(5) . . ?
N3 O6 Gd2 95.7(5) . . ?
O8 N3 O7 122.7(10) . . ?
O8 N3 O6 121.7(10) . . ?
O7 N3 O6 115.6(8) . . ?
O8 N3 Gd2 175.3(7) . . ?
O7 N3 Gd2 57.0(4) . . ?
O6 N3 Gd2 58.7(4) . . ?

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
N1 Co1 O4 C16 -50.9(6) . . . . ?
N2 Co1 O4 C16 41.5(6) . . . . ?
O5 Co1 O4 C16 135.7(6) . . . . ?
O3 Co1 O4 C16 -144.3(6) . . . . ?
Gd2 Co1 O4 C16 170.3(7) 3_666 . . . ?
Gd1 Co1 O4 C16 180.0(5) . . . . ?
N1 Co1 O4 Gd2 138.8(2) . . . 3_666 ?
N2 Co1 O4 Gd2 -128.8(2) . . . 3_666 ?
O5 Co1 O4 Gd2 -34.6(2) . . . 3_666 ?
O3 Co1 O4 Gd2 45.4(2) . . . 3_666 ?
Gd1 Co1 O4 Gd2 9.7(2) . . . 3_666 ?
N1 Co1 O2 C6 45.8(6) . . . . ?
N2 Co1 O2 C6 -46.6(6) . . . . ?
O5 Co1 O2 C6 -140.4(6) . . . . ?
O3 Co1 O2 C6 139.7(6) . . . . ?
Gd2 Co1 O2 C6 -175.4(5) 3_666 . . . ?
Gd1 Co1 O2 C6 174.5(7) . . . . ?
N1 Co1 O2 Gd1 -128.7(3) . . . . ?
N2 Co1 O2 Gd1 138.9(2) . . . . ?
O5 Co1 O2 Gd1 45.1(2) . . . . ?
O3 Co1 O2 Gd1 -34.8(2) . . . . ?
Gd2 Co1 O2 Gd1 10.1(3) 3_666 . . . ?
Co1 O5 C28 C23 -45.2(8) . . . . ?
Gd2 O5 C28 C23 -158.2(5) 3_666 . . . ?
Gd1 O5 C28 C23 70.0(8) . . . . ?
Gd1 O13 N4 O14 -139.5(8) . . . . ?
Gd1 O13 N4 O15 42.4(12) . . . . ?
O5 C28 C23 C24 -129.5(9) . . . . ?
O5 C28 C23 C22 58.6(10) . . . . ?
Co1 O4 C16 C17 157.7(7) . . . . ?
Gd2 O4 C16 C17 -38.5(13) 3_666 . . . ?
Co1 O4 C16 C15 -22.7(11) . . . . ?
Gd2 O4 C16 C15 141.1(8) 3_666 . . . ?
Co1 O3 C14 C9 -45.0(9) . . . . ?
Gd1 O3 C14 C9 -158.5(6) . . . . ?
Gd2 O3 C14 C9 69.8(9) 3_666 . . . ?
Gd1 O9 C29 O10 -4.5(16) . . . . ?
Gd1 O9 C29 C30 174.9(9) . . . . ?
C8 N1 C7 C1 -164.3(8) . . . . ?
Co1 N1 C7 C1 8.1(13) . . . . ?
O4 C16 C15 C20 179.4(9) . . . . ?
C17 C16 C15 C20 -0.9(15) . . . . ?
O4 C16 C15 C21 -15.0(14) . . . . ?
C17 C16 C15 C21 164.7(9) . . . . ?
C7 N1 C8 C13 -58.4(12) . . . . ?
Co1 N1 C8 C13 128.8(8) . . . . ?
C7 N1 C8 C9 123.1(9) . . . . ?
Co1 N1 C8 C9 -49.7(9) . . . . ?
N1 C7 C1 C2 -168.3(9) . . . . ?
N1 C7 C1 C6 19.5(14) . . . . ?
Co1 O2 C6 C5 149.8(7) . . . . ?
Gd1 O2 C6 C5 -39.8(14) . . . . ?
Co1 O2 C6 C1 -32.9(10) . . . . ?
Gd1 O2 C6 C1 137.4(8) . . . . ?
C2 C1 C6 O2 -178.3(8) . . . . ?
C7 C1 C6 O2 -6.0(13) . . . . ?
C2 C1 C6 C5 -1.0(13) . . . . ?
C7 C1 C6 C5 171.3(9) . . . . ?
C13 C8 C9 C10 0.5(14) . . . . ?
N1 C8 C9 C10 178.9(8) . . . . ?
C13 C8 C9 C14 176.0(9) . . . . ?
N1 C8 C9 C14 -5.5(12) . . . . ?
O3 C14 C9 C10 -127.6(9) . . . . ?
O3 C14 C9 C8 57.2(11) . . . . ?
C22 N2 C21 C15 -162.0(8) . . . . ?
Co1 N2 C21 C15 12.3(11) . . . . ?
C20 C15 C21 N2 -173.6(9) . . . . ?
C16 C15 C21 N2 20.7(14) . . . . ?
C26 C27 C22 C23 0.1(13) . . . . ?
C26 C27 C22 N2 178.9(8) . . . . ?
C24 C23 C22 C27 -0.7(13) . . . . ?
C28 C23 C22 C27 171.5(8) . . . . ?
C24 C23 C22 N2 -179.5(8) . . . . ?
C28 C23 C22 N2 -7.3(11) . . . . ?
C21 N2 C22 C27 -53.0(11) . . . . ?
Co1 N2 C22 C27 132.5(7) . . . . ?
C21 N2 C22 C23 125.8(8) . . . . ?
Co1 N2 C22 C23 -48.7(8) . . . . ?
O4 C16 C17 C18 -178.1(11) . . . . ?
C15 C16 C17 C18 2.2(16) . . . . ?
O2 C6 C5 C4 178.5(9) . . . . ?
C1 C6 C5 C4 1.1(14) . . . . ?
Gd1 O16 C33 N5 -153.3(7) . . . . ?
C35 N5 C33 O16 4.8(15) . . . . ?
C34 N5 C33 O16 178.1(10) . . . . ?
Gd1 O12 C31 O11 -15.2(8) . . . . ?
Gd1 O12 C31 C32 162.7(9) . . . . ?
C8 C9 C10 C11 0.6(14) . . . . ?
C14 C9 C10 C11 -174.7(9) . . . . ?
C22 C23 C24 C25 1.0(15) . . . . ?
C28 C23 C24 C25 -171.0(10) . . . . ?
C6 C1 C2 C3 -0.6(15) . . . . ?
C7 C1 C2 C3 -173.0(10) . . . . ?
C9 C8 C13 C12 -0.9(15) . . . . ?
N1 C8 C13 C12 -179.3(9) . . . . ?
C22 C27 C26 C25 0.1(16) . . . . ?
C16 C15 C20 C19 -0.8(18) . . . . ?
C21 C15 C20 C19 -166.7(12) . . . . ?
C1 C2 C3 C4 1.9(17) . . . . ?
C6 C5 C4 C3 0.2(16) . . . . ?
C2 C3 C4 C5 -1.7(18) . . . . ?
C27 C26 C25 C24 0.2(18) . . . . ?
C23 C24 C25 C26 -0.8(18) . . . . ?
C8 C13 C12 C11 0.2(17) . . . . ?
C16 C17 C18 C19 -2(2) . . . . ?
C13 C12 C11 C10 0.8(18) . . . . ?
C9 C10 C11 C12 -1.3(16) . . . . ?
C15 C20 C19 C18 1(2) . . . . ?
C17 C18 C19 C20 0(3) . . . . ?
O12 C31 O11 Gd2 140.2(8) . . . . ?
C32 C31 O11 Gd2 -37.7(16) . . . . ?
Gd1 C31 O11 Gd2 125.3(10) . . . . ?
O12 C31 O11 Gd1 14.9(8) . . . . ?
C32 C31 O11 Gd1 -163.0(9) . . . . ?
O9 C29 O10 Gd2 -13.8(18) . . . . ?
C30 C29 O10 Gd2 166.7(9) . . . . ?
Gd2 O7 N3 O8 -174.4(9) . . . . ?
Gd2 O7 N3 O6 5.0(8) . . . . ?
Gd2 O6 N3 O8 174.5(9) . . . . ?
Gd2 O6 N3 O7 -4.9(8) . . . . ?

_refine_diff_density_max         2.024
_refine_diff_density_min         -1.369
_refine_diff_density_rms         0.182

####################################################################### 
# 
# 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_t
_database_code_depnum_ccdc_archive 'CCDC 1482627'
_audit_update_record             
;
2016-09-19 deposited with the CCDC.
2016-09-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H72 Co2 N10 O32 Tb4, 2(C2 H6 O)'
_chemical_formula_sum            'C74 H84 Co2 N10 O34 Tb4'
_chemical_formula_weight         2411.05

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.371(2)
_cell_length_b                   19.544(3)
_cell_length_c                   18.941(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.988(3)
_cell_angle_gamma                90
_cell_volume                     4443.6(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6766
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      26.88

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_F_000             2368
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    3.593
_shelx_estimated_absorpt_T_min   0.519
_shelx_estimated_absorpt_T_max   0.580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5192
_exptl_absorpt_correction_T_max  0.5803
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25624
_diffrn_reflns_av_unetI/netI     0.0812
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.521
_diffrn_reflns_theta_max         27.611
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10012
_reflns_number_gt                6766
_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       'APEX-II (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    
'SHELXL-2014/7 (Sheldrick, 2014) and DIAMOND (Brandenburg, 1999)'
_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)+(0.0486P)²] 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         10012
_refine_ls_number_parameters     567
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1059
_refine_ls_wR_factor_gt          0.0907
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.020
_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
Tb2 Tb 0.36263(3) 0.45648(2) 0.51417(2) 0.02614(9) Uani 1 1 d . . . . .
Tb1 Tb 0.44678(3) 0.64394(2) 0.56998(2) 0.02781(9) Uani 1 1 d . . . . .
O1 O 0.5148(4) 0.5327(2) 0.5639(2) 0.0265(10) Uani 1 1 d . . . . .
O13 O 0.5805(4) 0.6337(2) 0.6891(2) 0.0414(12) Uani 1 1 d . . . . .
O11 O 0.2946(3) 0.5726(2) 0.4994(2) 0.0319(10) Uani 1 1 d . . . . .
O16 O 0.4433(4) 0.7475(2) 0.6353(2) 0.0418(12) Uani 1 1 d . . . . .
O7 O 0.1581(4) 0.4418(3) 0.4738(3) 0.0493(13) Uani 1 1 d . . . . .
O10 O 0.3320(4) 0.4851(2) 0.6261(2) 0.0417(12) Uani 1 1 d . . . . .
O6 O 0.2382(5) 0.4668(3) 0.3879(3) 0.0484(13) Uani 1 1 d . . . . .
O9 O 0.3563(4) 0.5955(2) 0.6548(2) 0.0404(12) Uani 1 1 d . . . . .
O12 O 0.2543(4) 0.6765(2) 0.5267(3) 0.0468(13) Uani 1 1 d . . . . .
O14 O 0.5854(5) 0.5267(3) 0.7191(3) 0.0587(15) Uani 1 1 d . . . . .
N3 N 0.1488(6) 0.4572(3) 0.4078(4) 0.0520(17) Uani 1 1 d . . . . .
N4 N 0.5929(5) 0.5873(3) 0.7373(3) 0.0465(16) Uani 1 1 d . . . . .
O15 O 0.6127(7) 0.6038(3) 0.8011(3) 0.092(2) Uani 1 1 d . . . . .
N5 N 0.3854(7) 0.8543(3) 0.6538(4) 0.066(2) Uani 1 1 d . . . . .
C29 C 0.3265(7) 0.5360(3) 0.6651(4) 0.0425(18) Uani 1 1 d . . . . .
O8 O 0.0581(5) 0.4610(4) 0.3654(3) 0.088(2) Uani 1 1 d . . . . .
C31 C 0.2230(6) 0.6171(4) 0.5060(4) 0.0384(16) Uani 1 1 d . . . . .
C33 C 0.3694(8) 0.7888(4) 0.6381(4) 0.051(2) Uani 1 1 d . . . . .
H33 H 0.2967 0.7725 0.6283 0.061 Uiso 1 1 calc R U . . .
C30 C 0.2770(10) 0.5240(4) 0.7289(5) 0.084(3) Uani 1 1 d . . . . .
H30A H 0.1977 0.5300 0.7141 0.127 Uiso 1 1 calc R U . . .
H30B H 0.3080 0.5560 0.7668 0.127 Uiso 1 1 calc R U . . .
H30C H 0.2936 0.4782 0.7466 0.127 Uiso 1 1 calc R U . . .
C32 C 0.1022(7) 0.5976(5) 0.4901(6) 0.083(3) Uani 1 1 d . . . . .
H32A H 0.0909 0.5652 0.5256 0.125 Uiso 1 1 calc R U . . .
H32B H 0.0804 0.5776 0.4425 0.125 Uiso 1 1 calc R U . . .
H32C H 0.0581 0.6377 0.4919 0.125 Uiso 1 1 calc R U . . .
C35 C 0.4958(10) 0.8846(5) 0.6656(6) 0.095(4) Uani 1 1 d . . . . .
H35A H 0.5500 0.8491 0.6671 0.142 Uiso 1 1 calc R U . . .
H35B H 0.5128 0.9090 0.7110 0.142 Uiso 1 1 calc R U . . .
H35C H 0.4976 0.9157 0.6266 0.142 Uiso 1 1 calc R U . . .
C34 C 0.2938(11) 0.9017(5) 0.6526(6) 0.112(4) Uani 1 1 d . . . . .
H34A H 0.2753 0.9253 0.6068 0.168 Uiso 1 1 calc R U . . .
H34B H 0.3159 0.9343 0.6913 0.168 Uiso 1 1 calc R U . . .
H34C H 0.2301 0.8767 0.6589 0.168 Uiso 1 1 calc R U . . .
C36 C 1.026(4) 1.014(2) 0.6017(16) 0.49(3) Uani 1 1 d D U . . .
H36A H 1.0851 0.9938 0.5827 0.584 Uiso 1 1 calc R U . . .
H36B H 0.9916 1.0518 0.5720 0.584 Uiso 1 1 calc R U . . .
O17 O 1.059(3) 1.029(2) 0.6778(14) 0.67(4) Uani 1 1 d D . . . .
H17A H 1.1036 1.0609 0.6845 1.012 Uiso 1 1 calc R U . . .
C37 C 0.941(4) 0.960(2) 0.616(3) 0.58(4) Uani 1 1 d D U . . .
H37A H 0.9058 0.9359 0.5723 0.874 Uiso 1 1 d R U . . .
H37B H 0.9821 0.9290 0.6512 0.874 Uiso 1 1 d R U . . .
H37C H 0.8861 0.9834 0.6348 0.874 Uiso 1 1 d R U . . .
Co1 Co 0.57372(7) 0.70048(4) 0.45348(4) 0.0273(2) Uani 1 1 d . . . . .
N1 N 0.5149(4) 0.7296(3) 0.3557(3) 0.0304(12) Uani 1 1 d . U . . .
N2 N 0.6639(5) 0.7804(3) 0.4763(3) 0.0351(13) Uani 1 1 d . . . . .
C14 C 0.4046(5) 0.6115(3) 0.3755(3) 0.0319(15) Uani 1 1 d . . . . .
H14A H 0.3516 0.5766 0.3813 0.038 Uiso 1 1 calc R U . . .
H14B H 0.4448 0.5942 0.3412 0.038 Uiso 1 1 calc R U . . .
C28 C 0.7172(5) 0.6954(3) 0.5966(3) 0.0350(16) Uani 1 1 d . . . . .
H28A H 0.7506 0.6646 0.6360 0.042 Uiso 1 1 calc R U . . .
H28B H 0.6839 0.7329 0.6174 0.042 Uiso 1 1 calc R U . . .
C6 C 0.7364(6) 0.6695(4) 0.3764(3) 0.0361(16) Uani 1 1 d . . . . .
C9 C 0.3406(6) 0.6744(3) 0.3433(3) 0.0343(16) Uani 1 1 d . . . . .
C21 C 0.6227(7) 0.8413(4) 0.4724(4) 0.0447(17) Uani 1 1 d . U . . .
H21 H 0.6722 0.8778 0.4787 0.054 Uiso 1 1 calc R U . . .
C13 C 0.3430(6) 0.7880(4) 0.2921(4) 0.0438(18) Uani 1 1 d . . . . .
H13 H 0.3830 0.8260 0.2833 0.053 Uiso 1 1 calc R U . . .
C22 C 0.7803(6) 0.7690(4) 0.5062(4) 0.0406(17) Uani 1 1 d . . . . .
C15 C 0.5078(7) 0.8566(4) 0.4592(4) 0.0435(17) Uani 1 1 d . U . . .
C7 C 0.5791(6) 0.7402(3) 0.3121(3) 0.0361(15) Uani 1 1 d . U . . .
H7 H 0.5482 0.7625 0.2685 0.043 Uiso 1 1 calc R U . . .
C16 C 0.4318(6) 0.8075(3) 0.4726(3) 0.0374(17) Uani 1 1 d . . . . .
C1 C 0.6931(6) 0.7209(4) 0.3254(3) 0.0384(17) Uani 1 1 d . . . . .
C23 C 0.8090(6) 0.7240(3) 0.5645(4) 0.0370(16) Uani 1 1 d . . . . .
C8 C 0.3973(6) 0.7322(3) 0.3299(3) 0.0326(15) Uani 1 1 d . . . . .
C5 C 0.8385(6) 0.6409(4) 0.3761(4) 0.051(2) Uani 1 1 d . . . . .
H5 H 0.8672 0.6061 0.4088 0.061 Uiso 1 1 calc R U . . .
C10 C 0.2257(6) 0.6743(4) 0.3195(4) 0.054(2) Uani 1 1 d . . . . .
H10 H 0.1852 0.6369 0.3293 0.064 Uiso 1 1 calc R U . . .
C24 C 0.9200(6) 0.7122(4) 0.5951(4) 0.0495(19) Uani 1 1 d . . . . .
H24 H 0.9404 0.6822 0.6342 0.059 Uiso 1 1 calc R U . . .
C17 C 0.3228(7) 0.8273(4) 0.4684(4) 0.052(2) Uani 1 1 d . . . . .
H17 H 0.2719 0.7954 0.4776 0.062 Uiso 1 1 calc R U . . .
C12 C 0.2286(7) 0.7860(4) 0.2679(4) 0.057(2) Uani 1 1 d . . . . .
H12 H 0.1903 0.8228 0.2423 0.069 Uiso 1 1 calc R U . . .
C11 C 0.1712(7) 0.7291(5) 0.2818(5) 0.067(3) Uani 1 1 d . . . . .
H11 H 0.0940 0.7278 0.2652 0.080 Uiso 1 1 calc R U . . .
C27 C 0.8613(7) 0.8004(4) 0.4777(4) 0.058(2) Uani 1 1 d . . . . .
H27 H 0.8413 0.8291 0.4375 0.070 Uiso 1 1 calc R U . . .
C18 C 0.2891(8) 0.8939(4) 0.4508(4) 0.062(2) Uani 1 1 d . . . . .
H18 H 0.2159 0.9067 0.4487 0.074 Uiso 1 1 calc R U . . .
C20 C 0.4714(9) 0.9236(4) 0.4416(4) 0.061(2) Uani 1 1 d . . . . .
H20 H 0.5216 0.9563 0.4334 0.073 Uiso 1 1 calc R U . . .
C2 C 0.7563(7) 0.7428(5) 0.2771(4) 0.069(3) Uani 1 1 d . . . . .
H2 H 0.7280 0.7768 0.2433 0.083 Uiso 1 1 calc R U . . .
C19 C 0.3635(9) 0.9417(4) 0.4363(5) 0.071(3) Uani 1 1 d . . . . .
H19 H 0.3398 0.9860 0.4230 0.085 Uiso 1 1 calc R U . . .
C25 C 1.0009(7) 0.7438(5) 0.5690(5) 0.068(3) Uani 1 1 d . . . . .
H25 H 1.0756 0.7357 0.5909 0.081 Uiso 1 1 calc R U . . .
C26 C 0.9722(8) 0.7879(5) 0.5103(5) 0.076(3) Uani 1 1 d . . . . .
H26 H 1.0276 0.8093 0.4927 0.091 Uiso 1 1 calc R U . . .
C3 C 0.8565(7) 0.7158(6) 0.2788(5) 0.099(4) Uani 1 1 d . . . . .
H3 H 0.8983 0.7318 0.2475 0.119 Uiso 1 1 calc R U . . .
C4 C 0.8976(8) 0.6632(6) 0.3283(5) 0.090(4) Uani 1 1 d . . . . .
H4 H 0.9660 0.6432 0.3285 0.108 Uiso 1 1 calc R U . . .
O3 O 0.4823(3) 0.6213(2) 0.4442(2) 0.0254(9) Uani 1 1 d . . . . .
O5 O 0.6307(3) 0.6595(2) 0.5467(2) 0.0292(10) Uani 1 1 d . . . . .
O2 O 0.6819(4) 0.6474(2) 0.4244(2) 0.0311(10) Uani 1 1 d . . . . .
O4 O 0.4611(4) 0.7430(2) 0.4895(2) 0.0358(11) Uani 1 1 d . . . . .
H1 H 0.536(5) 0.519(3) 0.597(3) 0.02(2) Uiso 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
Tb2 O10 2.310(4) . ?
Tb2 O1 2.369(4) 3_666 ?
Tb2 O1 2.407(4) . ?
Tb2 O11 2.413(4) . ?
Tb2 O3 2.425(4) 3_666 ?
Tb2 O2 2.467(4) 3_666 ?
Tb2 O7 2.477(5) . ?
Tb2 O6 2.520(5) . ?
Tb2 O5 2.554(4) 3_666 ?
Tb2 N3 2.912(6) . ?
Tb2 Co1 3.1894(10) 3_666 ?
Tb2 Tb1 3.7106(6) 3_666 ?
Tb1 O1 2.343(4) . ?
Tb1 O9 2.367(4) . ?
Tb1 O16 2.377(4) . ?
Tb1 O12 2.409(5) . ?
Tb1 O5 2.439(4) . ?
Tb1 O13 2.461(4) . ?
Tb1 O11 2.462(4) . ?
Tb1 O4 2.496(4) . ?
Tb1 O3 2.564(4) . ?
Tb1 C31 2.791(7) . ?
Tb1 Co1 3.1986(10) . ?
Tb1 Tb2 3.7106(6) 3_666 ?
O1 Tb2 2.369(4) 3_666 ?
O1 H1 0.68(6) . ?
O13 N4 1.271(7) . ?
O11 C31 1.269(8) . ?
O16 C33 1.230(8) . ?
O7 N3 1.263(7) . ?
O10 C29 1.251(7) . ?
O6 N3 1.265(8) . ?
O9 C29 1.250(7) . ?
O12 C31 1.256(8) . ?
O14 N4 1.231(7) . ?
N3 O8 1.215(7) . ?
N4 O15 1.217(7) . ?
N5 C33 1.320(9) . ?
N5 C35 1.456(12) . ?
N5 C34 1.459(11) . ?
C29 C30 1.498(10) . ?
C31 C32 1.500(10) . ?
C33 H33 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C36 O17 1.433(10) . ?
C36 C37 1.540(10) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
O17 H17A 0.8200 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9601 . ?
Co1 O2 1.878(4) . ?
Co1 O4 1.886(4) . ?
Co1 O3 1.900(4) . ?
Co1 N1 1.906(5) . ?
Co1 N2 1.907(5) . ?
Co1 O5 1.911(4) . ?
Co1 Tb2 3.1895(10) 3_666 ?
N1 C7 1.292(8) . ?
N1 C8 1.420(8) . ?
N2 C21 1.289(8) . ?
N2 C22 1.432(9) . ?
C14 O3 1.431(6) . ?
C14 C9 1.509(9) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C28 O5 1.429(7) . ?
C28 C23 1.517(9) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C6 O2 1.329(7) . ?
C6 C5 1.383(9) . ?
C6 C1 1.405(9) . ?
C9 C8 1.384(9) . ?
C9 C10 1.384(9) . ?
C21 C15 1.414(10) . ?
C21 H21 0.9300 . ?
C13 C12 1.380(10) . ?
C13 C8 1.386(9) . ?
C13 H13 0.9300 . ?
C22 C23 1.390(9) . ?
C22 C27 1.391(10) . ?
C15 C20 1.399(10) . ?
C15 C16 1.409(10) . ?
C7 C1 1.422(9) . ?
C7 H7 0.9300 . ?
C16 O4 1.329(7) . ?
C16 C17 1.386(10) . ?
C1 C2 1.406(10) . ?
C23 C24 1.375(10) . ?
C5 C4 1.366(11) . ?
C5 H5 0.9300 . ?
C10 C11 1.371(10) . ?
C10 H10 0.9300 . ?
C24 C25 1.367(11) . ?
C24 H24 0.9300 . ?
C17 C18 1.384(10) . ?
C17 H17 0.9300 . ?
C12 C11 1.379(11) . ?
C12 H12 0.9300 . ?
C11 H11 0.9300 . ?
C27 C26 1.383(12) . ?
C27 H27 0.9300 . ?
C18 C19 1.385(12) . ?
C18 H18 0.9300 . ?
C20 C19 1.361(12) . ?
C20 H20 0.9300 . ?
C2 C3 1.340(11) . ?
C2 H2 0.9300 . ?
C19 H19 0.9300 . ?
C25 C26 1.385(13) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C3 C4 1.401(12) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
O3 Tb2 2.425(4) 3_666 ?
O5 Tb2 2.554(4) 3_666 ?
O2 Tb2 2.467(4) 3_666 ?

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
O10 Tb2 O1 145.36(16) . 3_666 ?
O10 Tb2 O1 77.15(16) . . ?
O1 Tb2 O1 68.36(17) 3_666 . ?
O10 Tb2 O11 75.45(15) . . ?
O1 Tb2 O11 95.86(15) 3_666 . ?
O1 Tb2 O11 71.39(15) . . ?
O10 Tb2 O3 98.36(15) . 3_666 ?
O1 Tb2 O3 71.55(14) 3_666 3_666 ?
O1 Tb2 O3 77.20(14) . 3_666 ?
O11 Tb2 O3 148.59(14) . 3_666 ?
O10 Tb2 O2 70.21(14) . 3_666 ?
O1 Tb2 O2 128.09(14) 3_666 3_666 ?
O1 Tb2 O2 124.57(15) . 3_666 ?
O11 Tb2 O2 135.81(14) . 3_666 ?
O3 Tb2 O2 65.17(14) 3_666 3_666 ?
O10 Tb2 O7 85.95(17) . . ?
O1 Tb2 O7 125.29(16) 3_666 . ?
O1 Tb2 O7 146.75(16) . . ?
O11 Tb2 O7 76.78(15) . . ?
O3 Tb2 O7 134.17(15) 3_666 . ?
O2 Tb2 O7 73.90(15) 3_666 . ?
O10 Tb2 O6 130.80(18) . . ?
O1 Tb2 O6 74.74(17) 3_666 . ?
O1 Tb2 O6 124.22(16) . . ?
O11 Tb2 O6 72.49(15) . . ?
O3 Tb2 O6 127.77(15) 3_666 . ?
O2 Tb2 O6 111.01(15) 3_666 . ?
O7 Tb2 O6 51.10(17) . . ?
O10 Tb2 O5 131.24(14) . 3_666 ?
O1 Tb2 O5 72.65(14) 3_666 3_666 ?
O1 Tb2 O5 128.22(14) . 3_666 ?
O11 Tb2 O5 146.21(13) . 3_666 ?
O3 Tb2 O5 58.74(12) 3_666 3_666 ?
O2 Tb2 O5 61.17(13) 3_666 3_666 ?
O7 Tb2 O5 84.26(15) . 3_666 ?
O6 Tb2 O5 73.82(14) . 3_666 ?
O10 Tb2 N3 108.1(2) . . ?
O1 Tb2 N3 100.31(19) 3_666 . ?
O1 Tb2 N3 139.57(17) . . ?
O11 Tb2 N3 71.46(16) . . ?
O3 Tb2 N3 138.00(15) 3_666 . ?
O2 Tb2 N3 93.53(17) 3_666 . ?
O7 Tb2 N3 25.52(17) . . ?
O6 Tb2 N3 25.66(17) . . ?
O5 Tb2 N3 79.35(16) 3_666 . ?
O10 Tb2 Co1 98.29(11) . 3_666 ?
O1 Tb2 Co1 92.28(11) 3_666 3_666 ?
O1 Tb2 Co1 112.77(11) . 3_666 ?
O11 Tb2 Co1 171.81(10) . 3_666 ?
O3 Tb2 Co1 36.44(9) 3_666 3_666 ?
O2 Tb2 Co1 36.00(10) 3_666 3_666 ?
O7 Tb2 Co1 97.73(12) . 3_666 ?
O6 Tb2 Co1 108.95(11) . 3_666 ?
O5 Tb2 Co1 36.81(9) 3_666 3_666 ?
N3 Tb2 Co1 106.17(12) . 3_666 ?
O10 Tb2 Tb1 141.66(12) . 3_666 ?
O1 Tb2 Tb1 37.81(11) 3_666 3_666 ?
O1 Tb2 Tb1 88.71(10) . 3_666 ?
O11 Tb2 Tb1 133.45(10) . 3_666 ?
O3 Tb2 Tb1 43.41(9) 3_666 3_666 ?
O2 Tb2 Tb1 90.28(10) 3_666 3_666 ?
O7 Tb2 Tb1 120.93(12) . 3_666 ?
O6 Tb2 Tb1 86.57(12) . 3_666 ?
O5 Tb2 Tb1 40.83(9) 3_666 3_666 ?
N3 Tb2 Tb1 105.70(14) . 3_666 ?
Co1 Tb2 Tb1 54.606(17) 3_666 3_666 ?
O1 Tb1 O9 84.07(15) . . ?
O1 Tb1 O16 150.08(16) . . ?
O9 Tb1 O16 85.21(15) . . ?
O1 Tb1 O12 124.43(16) . . ?
O9 Tb1 O12 75.25(17) . . ?
O16 Tb1 O12 79.14(17) . . ?
O1 Tb1 O5 75.23(14) . . ?
O9 Tb1 O5 141.98(15) . . ?
O16 Tb1 O5 97.05(15) . . ?
O12 Tb1 O5 142.58(15) . . ?
O1 Tb1 O13 78.47(16) . . ?
O9 Tb1 O13 70.67(16) . . ?
O16 Tb1 O13 71.63(16) . . ?
O12 Tb1 O13 136.30(16) . . ?
O5 Tb1 O13 74.12(14) . . ?
O1 Tb1 O11 71.61(15) . . ?
O9 Tb1 O11 73.54(15) . . ?
O16 Tb1 O11 131.09(16) . . ?
O12 Tb1 O11 53.24(15) . . ?
O5 Tb1 O11 126.65(13) . . ?
O13 Tb1 O11 135.06(15) . . ?
O1 Tb1 O4 127.59(15) . . ?
O9 Tb1 O4 147.11(15) . . ?
O16 Tb1 O4 70.75(15) . . ?
O12 Tb1 O4 78.34(15) . . ?
O5 Tb1 O4 65.53(14) . . ?
O13 Tb1 O4 119.41(15) . . ?
O11 Tb1 O4 105.42(14) . . ?
O1 Tb1 O3 69.50(14) . . ?
O9 Tb1 O3 141.01(14) . . ?
O16 Tb1 O3 131.24(14) . . ?
O12 Tb1 O3 96.15(14) . . ?
O5 Tb1 O3 58.42(12) . . ?
O13 Tb1 O3 127.54(14) . . ?
O11 Tb1 O3 71.21(13) . . ?
O4 Tb1 O3 60.88(13) . . ?
O1 Tb1 C31 97.73(19) . . ?
O9 Tb1 C31 68.70(18) . . ?
O16 Tb1 C31 104.2(2) . . ?
O12 Tb1 C31 26.69(17) . . ?
O5 Tb1 C31 144.69(17) . . ?
O13 Tb1 C31 139.36(18) . . ?
O11 Tb1 C31 27.05(17) . . ?
O4 Tb1 C31 95.19(17) . . ?
O3 Tb1 C31 86.52(17) . . ?
O1 Tb1 Co1 92.55(11) . . ?
O9 Tb1 Co1 176.60(11) . . ?
O16 Tb1 Co1 97.96(11) . . ?
O12 Tb1 Co1 106.50(12) . . ?
O5 Tb1 Co1 36.59(9) . . ?
O13 Tb1 Co1 109.08(11) . . ?
O11 Tb1 Co1 105.05(10) . . ?
O4 Tb1 Co1 36.09(10) . . ?
O3 Tb1 Co1 36.43(9) . . ?
C31 Tb1 Co1 111.51(14) . . ?
O1 Tb1 Tb2 38.31(11) . 3_666 ?
O9 Tb1 Tb2 122.27(11) . 3_666 ?
O16 Tb1 Tb2 140.08(12) . 3_666 ?
O12 Tb1 Tb2 132.24(12) . 3_666 ?
O5 Tb1 Tb2 43.19(9) . 3_666 ?
O13 Tb1 Tb2 89.69(11) . 3_666 ?
O11 Tb1 Tb2 87.08(10) . 3_666 ?
O4 Tb1 Tb2 90.11(10) . 3_666 ?
O3 Tb1 Tb2 40.53(9) . 3_666 ?
C31 Tb1 Tb2 112.39(15) . 3_666 ?
Co1 Tb1 Tb2 54.374(18) . 3_666 ?
Tb1 O1 Tb2 103.88(17) . 3_666 ?
Tb1 O1 Tb2 109.71(18) . . ?
Tb2 O1 Tb2 111.64(17) 3_666 . ?
Tb1 O1 H1 113(6) . . ?
Tb2 O1 H1 116(6) 3_666 . ?
Tb2 O1 H1 102(6) . . ?
N4 O13 Tb1 130.9(4) . . ?
C31 O11 Tb2 149.9(4) . . ?
C31 O11 Tb1 91.1(4) . . ?
Tb2 O11 Tb1 105.68(16) . . ?
C33 O16 Tb1 133.5(5) . . ?
N3 O7 Tb2 96.9(4) . . ?
C29 O10 Tb2 141.2(4) . . ?
N3 O6 Tb2 94.8(4) . . ?
C29 O9 Tb1 133.2(4) . . ?
C31 O12 Tb1 93.8(4) . . ?
O8 N3 O7 121.2(8) . . ?
O8 N3 O6 121.9(7) . . ?
O7 N3 O6 116.9(6) . . ?
O8 N3 Tb2 176.1(6) . . ?
O7 N3 Tb2 57.6(3) . . ?
O6 N3 Tb2 59.6(3) . . ?
O15 N4 O14 121.2(6) . . ?
O15 N4 O13 119.0(6) . . ?
O14 N4 O13 119.9(6) . . ?
C33 N5 C35 120.8(8) . . ?
C33 N5 C34 122.7(9) . . ?
C35 N5 C34 116.1(8) . . ?
O9 C29 O10 125.9(6) . . ?
O9 C29 C30 117.7(6) . . ?
O10 C29 C30 116.3(6) . . ?
O12 C31 O11 119.6(6) . . ?
O12 C31 C32 120.9(7) . . ?
O11 C31 C32 119.4(7) . . ?
O12 C31 Tb1 59.5(3) . . ?
O11 C31 Tb1 61.9(3) . . ?
C32 C31 Tb1 166.1(6) . . ?
O16 C33 N5 125.1(8) . . ?
O16 C33 H33 117.4 . . ?
N5 C33 H33 117.4 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N5 C35 H35A 109.5 . . ?
N5 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N5 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N5 C34 H34A 109.5 . . ?
N5 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N5 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O17 C36 C37 91(3) . . ?
O17 C36 H36A 113.5 . . ?
C37 C36 H36A 113.5 . . ?
O17 C36 H36B 113.5 . . ?
C37 C36 H36B 113.5 . . ?
H36A C36 H36B 110.8 . . ?
C36 O17 H17A 109.5 . . ?
C36 C37 H37A 112.5 . . ?
C36 C37 H37B 106.9 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.0 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O2 Co1 O4 172.14(18) . . ?
O2 Co1 O3 88.43(17) . . ?
O4 Co1 O3 85.28(18) . . ?
O2 Co1 N1 90.6(2) . . ?
O4 Co1 N1 94.5(2) . . ?
O3 Co1 N1 94.25(19) . . ?
O2 Co1 N2 95.7(2) . . ?
O4 Co1 N2 90.0(2) . . ?
O3 Co1 N2 172.19(19) . . ?
N1 Co1 N2 92.3(2) . . ?
O2 Co1 O5 84.81(18) . . ?
O4 Co1 O5 89.42(18) . . ?
O3 Co1 O5 79.80(16) . . ?
N1 Co1 O5 172.6(2) . . ?
N2 Co1 O5 93.97(19) . . ?
O2 Co1 Tb2 50.54(12) . 3_666 ?
O4 Co1 Tb2 121.60(13) . 3_666 ?
O3 Co1 Tb2 49.30(12) . 3_666 ?
N1 Co1 Tb2 119.47(15) . 3_666 ?
N2 Co1 Tb2 129.84(17) . 3_666 ?
O5 Co1 Tb2 53.19(12) . 3_666 ?
O2 Co1 Tb1 120.98(13) . . ?
O4 Co1 Tb1 51.23(13) . . ?
O3 Co1 Tb1 53.29(11) . . ?
N1 Co1 Tb1 129.65(16) . . ?
N2 Co1 Tb1 118.99(16) . . ?
O5 Co1 Tb1 49.54(13) . . ?
Tb2 Co1 Tb1 71.022(19) 3_666 . ?
C7 N1 C8 120.8(5) . . ?
C7 N1 Co1 121.3(5) . . ?
C8 N1 Co1 117.6(4) . . ?
C21 N2 C22 120.8(6) . . ?
C21 N2 Co1 122.8(5) . . ?
C22 N2 Co1 116.0(4) . . ?
O3 C14 C9 115.5(5) . . ?
O3 C14 H14A 108.4 . . ?
C9 C14 H14A 108.4 . . ?
O3 C14 H14B 108.4 . . ?
C9 C14 H14B 108.4 . . ?
H14A C14 H14B 107.5 . . ?
O5 C28 C23 115.4(5) . . ?
O5 C28 H28A 108.4 . . ?
C23 C28 H28A 108.4 . . ?
O5 C28 H28B 108.4 . . ?
C23 C28 H28B 108.4 . . ?
H28A C28 H28B 107.5 . . ?
O2 C6 C5 119.0(6) . . ?
O2 C6 C1 122.0(6) . . ?
C5 C6 C1 119.0(6) . . ?
C8 C9 C10 117.9(6) . . ?
C8 C9 C14 119.9(6) . . ?
C10 C9 C14 121.8(6) . . ?
N2 C21 C15 124.9(7) . . ?
N2 C21 H21 117.5 . . ?
C15 C21 H21 117.5 . . ?
C12 C13 C8 118.7(7) . . ?
C12 C13 H13 120.6 . . ?
C8 C13 H13 120.6 . . ?
C23 C22 C27 121.2(7) . . ?
C23 C22 N2 116.9(6) . . ?
C27 C22 N2 121.9(7) . . ?
C20 C15 C16 119.4(8) . . ?
C20 C15 C21 119.5(8) . . ?
C16 C15 C21 120.6(6) . . ?
N1 C7 C1 125.4(6) . . ?
N1 C7 H7 117.3 . . ?
C1 C7 H7 117.3 . . ?
O4 C16 C17 118.9(7) . . ?
O4 C16 C15 122.3(7) . . ?
C17 C16 C15 118.8(7) . . ?
C6 C1 C2 119.0(7) . . ?
C6 C1 C7 120.6(6) . . ?
C2 C1 C7 119.2(6) . . ?
C24 C23 C22 118.5(7) . . ?
C24 C23 C28 122.5(6) . . ?
C22 C23 C28 118.7(6) . . ?
C9 C8 C13 122.2(6) . . ?
C9 C8 N1 115.5(6) . . ?
C13 C8 N1 122.3(6) . . ?
C4 C5 C6 120.6(7) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C11 C10 C9 120.3(7) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C25 C24 C23 121.1(8) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C18 C17 C16 120.6(8) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C11 C12 C13 119.6(7) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C10 C11 C12 121.2(7) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C26 C27 C22 118.7(8) . . ?
C26 C27 H27 120.7 . . ?
C22 C27 H27 120.7 . . ?
C17 C18 C19 120.5(8) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C19 C20 C15 120.9(8) . . ?
C19 C20 H20 119.5 . . ?
C15 C20 H20 119.5 . . ?
C3 C2 C1 121.4(7) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C20 C19 C18 119.8(8) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C24 C25 C26 120.3(8) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C27 C26 C25 120.1(8) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C2 C3 C4 119.3(8) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 120.8(8) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C14 O3 Co1 116.6(3) . . ?
C14 O3 Tb2 121.1(3) . 3_666 ?
Co1 O3 Tb2 94.26(16) . 3_666 ?
C14 O3 Tb1 129.7(4) . . ?
Co1 O3 Tb1 90.28(14) . . ?
Tb2 O3 Tb1 96.06(12) 3_666 . ?
C28 O5 Co1 117.1(4) . . ?
C28 O5 Tb1 121.6(4) . . ?
Co1 O5 Tb1 93.87(16) . . ?
C28 O5 Tb2 129.3(4) . 3_666 ?
Co1 O5 Tb2 90.00(14) . 3_666 ?
Tb1 O5 Tb2 95.98(13) . 3_666 ?
C6 O2 Co1 122.4(4) . . ?
C6 O2 Tb2 143.0(4) . 3_666 ?
Co1 O2 Tb2 93.45(16) . 3_666 ?
C16 O4 Co1 120.9(4) . . ?
C16 O4 Tb1 145.8(4) . . ?
Co1 O4 Tb1 92.68(16) . . ?

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
Tb2 O7 N3 O8 -175.7(6) . . . . ?
Tb2 O7 N3 O6 6.0(6) . . . . ?
Tb2 O6 N3 O8 175.8(7) . . . . ?
Tb2 O6 N3 O7 -5.9(6) . . . . ?
Tb1 O13 N4 O15 -139.2(6) . . . . ?
Tb1 O13 N4 O14 41.2(9) . . . . ?
Tb1 O9 C29 O10 -5.6(12) . . . . ?
Tb1 O9 C29 C30 175.9(6) . . . . ?
Tb2 O10 C29 O9 -12.2(14) . . . . ?
Tb2 O10 C29 C30 166.3(6) . . . . ?
Tb1 O12 C31 O11 -15.3(6) . . . . ?
Tb1 O12 C31 C32 163.8(7) . . . . ?
Tb2 O11 C31 O12 139.8(6) . . . . ?
Tb1 O11 C31 O12 14.9(6) . . . . ?
Tb2 O11 C31 C32 -39.3(12) . . . . ?
Tb1 O11 C31 C32 -164.2(7) . . . . ?
Tb2 O11 C31 Tb1 124.9(8) . . . . ?
Tb1 O16 C33 N5 -152.8(6) . . . . ?
C35 N5 C33 O16 3.6(12) . . . . ?
C34 N5 C33 O16 176.7(8) . . . . ?
O3 C14 C9 C8 57.8(8) . . . . ?
O3 C14 C9 C10 -128.8(7) . . . . ?
C22 N2 C21 C15 -165.3(6) . . . . ?
Co1 N2 C21 C15 7.5(9) . . . . ?
C21 N2 C22 C23 123.1(7) . . . . ?
Co1 N2 C22 C23 -50.1(7) . . . . ?
C21 N2 C22 C27 -57.9(9) . . . . ?
Co1 N2 C22 C27 128.9(6) . . . . ?
N2 C21 C15 C20 -167.1(7) . . . . ?
N2 C21 C15 C16 21.0(10) . . . . ?
C8 N1 C7 C1 -161.4(6) . . . . ?
Co1 N1 C7 C1 11.9(9) . . . . ?
C20 C15 C16 O4 179.9(6) . . . . ?
C21 C15 C16 O4 -8.2(10) . . . . ?
C20 C15 C16 C17 -0.4(10) . . . . ?
C21 C15 C16 C17 171.5(6) . . . . ?
O2 C6 C1 C2 178.7(7) . . . . ?
C5 C6 C1 C2 -1.8(11) . . . . ?
O2 C6 C1 C7 -14.3(10) . . . . ?
C5 C6 C1 C7 165.2(7) . . . . ?
N1 C7 C1 C6 20.4(11) . . . . ?
N1 C7 C1 C2 -172.6(7) . . . . ?
C27 C22 C23 C24 1.6(10) . . . . ?
N2 C22 C23 C24 -179.4(6) . . . . ?
C27 C22 C23 C28 175.6(6) . . . . ?
N2 C22 C23 C28 -5.4(9) . . . . ?
O5 C28 C23 C24 -128.9(7) . . . . ?
O5 C28 C23 C22 57.3(8) . . . . ?
C10 C9 C8 C13 -2.0(10) . . . . ?
C14 C9 C8 C13 171.7(6) . . . . ?
C10 C9 C8 N1 179.8(6) . . . . ?
C14 C9 C8 N1 -6.5(8) . . . . ?
C12 C13 C8 C9 0.8(10) . . . . ?
C12 C13 C8 N1 178.9(6) . . . . ?
C7 N1 C8 C9 124.9(7) . . . . ?
Co1 N1 C8 C9 -48.6(7) . . . . ?
C7 N1 C8 C13 -53.3(9) . . . . ?
Co1 N1 C8 C13 133.2(6) . . . . ?
O2 C6 C5 C4 -179.0(8) . . . . ?
C1 C6 C5 C4 1.5(12) . . . . ?
C8 C9 C10 C11 2.3(11) . . . . ?
C14 C9 C10 C11 -171.3(7) . . . . ?
C22 C23 C24 C25 0.0(11) . . . . ?
C28 C23 C24 C25 -173.8(7) . . . . ?
O4 C16 C17 C18 -179.8(6) . . . . ?
C15 C16 C17 C18 0.5(10) . . . . ?
C8 C13 C12 C11 0.1(12) . . . . ?
C9 C10 C11 C12 -1.5(14) . . . . ?
C13 C12 C11 C10 0.2(14) . . . . ?
C23 C22 C27 C26 -2.3(12) . . . . ?
N2 C22 C27 C26 178.8(7) . . . . ?
C16 C17 C18 C19 0.7(12) . . . . ?
C16 C15 C20 C19 -0.9(11) . . . . ?
C21 C15 C20 C19 -172.9(7) . . . . ?
C6 C1 C2 C3 0.0(14) . . . . ?
C7 C1 C2 C3 -167.1(9) . . . . ?
C15 C20 C19 C18 2.1(13) . . . . ?
C17 C18 C19 C20 -2.0(13) . . . . ?
C23 C24 C25 C26 -0.9(13) . . . . ?
C22 C27 C26 C25 1.4(13) . . . . ?
C24 C25 C26 C27 0.1(14) . . . . ?
C1 C2 C3 C4 1.9(18) . . . . ?
C6 C5 C4 C3 0.5(16) . . . . ?
C2 C3 C4 C5 -2.2(19) . . . . ?
C9 C14 O3 Co1 -44.4(6) . . . . ?
C9 C14 O3 Tb2 -157.9(4) . . . 3_666 ?
C9 C14 O3 Tb1 70.6(6) . . . . ?
O2 Co1 O3 C14 -92.7(4) . . . . ?
O4 Co1 O3 C14 92.0(4) . . . . ?
N1 Co1 O3 C14 -2.2(4) . . . . ?
O5 Co1 O3 C14 -177.7(4) . . . . ?
Tb2 Co1 O3 C14 -128.1(4) 3_666 . . . ?
Tb1 Co1 O3 C14 135.8(4) . . . . ?
O2 Co1 O3 Tb2 35.42(16) . . . 3_666 ?
O4 Co1 O3 Tb2 -139.86(17) . . . 3_666 ?
N1 Co1 O3 Tb2 125.94(18) . . . 3_666 ?
O5 Co1 O3 Tb2 -49.59(15) . . . 3_666 ?
Tb1 Co1 O3 Tb2 -96.10(13) . . . 3_666 ?
O2 Co1 O3 Tb1 131.52(15) . . . . ?
O4 Co1 O3 Tb1 -43.76(15) . . . . ?
N1 Co1 O3 Tb1 -137.96(18) . . . . ?
O5 Co1 O3 Tb1 46.51(15) . . . . ?
Tb2 Co1 O3 Tb1 96.10(13) 3_666 . . . ?
C23 C28 O5 Co1 -44.4(7) . . . . ?
C23 C28 O5 Tb1 -158.2(4) . . . . ?
C23 C28 O5 Tb2 70.4(7) . . . 3_666 ?
C5 C6 O2 Co1 157.3(5) . . . . ?
C1 C6 O2 Co1 -23.2(9) . . . . ?
C5 C6 O2 Tb2 -38.6(10) . . . 3_666 ?
C1 C6 O2 Tb2 140.9(6) . . . 3_666 ?
O3 Co1 O2 C6 135.9(5) . . . . ?
N1 Co1 O2 C6 41.6(5) . . . . ?
N2 Co1 O2 C6 -50.8(5) . . . . ?
O5 Co1 O2 C6 -144.2(5) . . . . ?
Tb2 Co1 O2 C6 170.5(5) 3_666 . . . ?
Tb1 Co1 O2 C6 -179.7(4) . . . . ?
O3 Co1 O2 Tb2 -34.68(15) . . . 3_666 ?
N1 Co1 O2 Tb2 -128.91(18) . . . 3_666 ?
N2 Co1 O2 Tb2 138.70(18) . . . 3_666 ?
O5 Co1 O2 Tb2 45.22(15) . . . 3_666 ?
Tb1 Co1 O2 Tb2 9.76(18) . . . 3_666 ?
C17 C16 O4 Co1 149.5(5) . . . . ?
C15 C16 O4 Co1 -30.9(8) . . . . ?
C17 C16 O4 Tb1 -43.0(10) . . . . ?
C15 C16 O4 Tb1 136.6(6) . . . . ?
O3 Co1 O4 C16 -141.7(5) . . . . ?
N1 Co1 O4 C16 -47.8(5) . . . . ?
N2 Co1 O4 C16 44.6(5) . . . . ?
O5 Co1 O4 C16 138.5(5) . . . . ?
Tb2 Co1 O4 C16 -176.7(4) 3_666 . . . ?
Tb1 Co1 O4 C16 173.0(5) . . . . ?
O3 Co1 O4 Tb1 45.33(15) . . . . ?
N1 Co1 O4 Tb1 139.23(18) . . . . ?
N2 Co1 O4 Tb1 -128.45(19) . . . . ?
O5 Co1 O4 Tb1 -34.48(16) . . . . ?
Tb2 Co1 O4 Tb1 10.31(19) 3_666 . . . ?

_refine_diff_density_max         1.715
_refine_diff_density_min         -2.224
_refine_diff_density_rms         0.159

