# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1403110'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H92 Co2 Dy2 N4 O22 P6'
_chemical_formula_weight         1946.14

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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.545(2)
_cell_length_b                   15.0376(19)
_cell_length_c                   18.105(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.965(2)
_cell_angle_gamma                90.00
_cell_volume                     4371.4(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9916
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      27.42

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1960
_exptl_absorpt_coefficient_mu    2.238
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5938
_exptl_absorpt_correction_T_max  0.6631
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31435
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.27
_diffrn_reflns_theta_max         25.01
_reflns_number_total             7676
_reflns_number_gt                6484
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.668 0.195 0.364 148 39 ' '
2 0.669 0.305 0.864 148 39 ' '
3 0.331 0.695 0.136 148 39 ' '
4 0.331 0.805 0.636 148 39 ' '
_platon_squeeze_details          
;
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+14.0643P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7676
_refine_ls_number_parameters     481
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0315
_refine_ls_wR_factor_ref         0.0660
_refine_ls_wR_factor_gt          0.0637
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_restrained_S_all      1.121
_refine_ls_shift/su_max          0.008
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0161(3) 0.3799(4) 0.4369(3) 0.0235(19) Uani 0.647(12) 1 d PGU A 1
H1 H 0.0020 0.4282 0.4632 0.028 Uiso 0.647(12) 1 calc PR A 1
C2 C 0.0771(3) 0.3143(4) 0.4670(3) 0.0222(18) Uani 0.647(12) 1 d PGU A 1
H2 H 0.1099 0.3123 0.5165 0.027 Uiso 0.647(12) 1 calc PR A 1
C3 C 0.0791(3) 0.2524(4) 0.4081(4) 0.028(2) Uani 0.647(12) 1 d PGU A 1
H3 H 0.1135 0.2028 0.4124 0.034 Uiso 0.647(12) 1 calc PR A 1
C4 C 0.0194(4) 0.2798(4) 0.3416(3) 0.0289(18) Uani 0.647(12) 1 d PGU A 1
H4 H 0.0079 0.2511 0.2946 0.035 Uiso 0.647(12) 1 calc PR A 1
C5 C -0.0195(3) 0.3585(4) 0.3593(3) 0.026(2) Uani 0.647(12) 1 d PGU A 1
H5 H -0.0610 0.3904 0.3261 0.032 Uiso 0.647(12) 1 calc PR A 1
C6 C 0.3175(4) 0.2083(4) 0.3479(4) 0.0684(19) Uani 1 1 d . A .
H6A H 0.3543 0.2021 0.3983 0.082 Uiso 1 1 calc R . .
H6B H 0.3432 0.2494 0.3192 0.082 Uiso 1 1 calc R . .
C7 C 0.3076(5) 0.1228(4) 0.3105(5) 0.080(2) Uani 1 1 d . . .
H7A H 0.2824 0.0819 0.3390 0.120 Uiso 1 1 calc R . .
H7B H 0.3612 0.1006 0.3076 0.120 Uiso 1 1 calc R . .
H7C H 0.2727 0.1290 0.2601 0.120 Uiso 1 1 calc R . .
C8 C 0.3491(4) 0.3451(5) 0.5246(3) 0.0669(19) Uani 1 1 d . A .
H8A H 0.3451 0.4090 0.5301 0.080 Uiso 1 1 calc R . .
H8B H 0.3908 0.3345 0.4961 0.080 Uiso 1 1 calc R . .
C9 C 0.3800(4) 0.3095(5) 0.5982(4) 0.087 Uani 1 1 d . . .
H9A H 0.3365 0.3091 0.6249 0.130 Uiso 1 1 calc R . .
H9B H 0.4255 0.3454 0.6255 0.130 Uiso 1 1 calc R . .
H9C H 0.3991 0.2499 0.5941 0.130 Uiso 1 1 calc R . .
C10 C 0.1612(4) 0.3146(4) 0.1668(4) 0.0668(18) Uani 1 1 d . . .
H10A H 0.2145 0.3194 0.2035 0.080 Uiso 1 1 calc R . .
H10B H 0.1528 0.2520 0.1543 0.080 Uiso 1 1 calc R . .
C11 C 0.1696(4) 0.3572(4) 0.1016(4) 0.065 Uani 1 1 d . . .
H11A H 0.1200 0.3486 0.0619 0.098 Uiso 1 1 calc R . .
H11B H 0.2165 0.3329 0.0858 0.098 Uiso 1 1 calc R . .
H11C H 0.1782 0.4196 0.1116 0.098 Uiso 1 1 calc R . .
C12 C -0.0082(3) 0.5301(4) 0.1735(3) 0.046 Uani 1 1 d . . .
H12A H 0.0391 0.5701 0.1818 0.055 Uiso 1 1 calc R . .
H12B H -0.0548 0.5630 0.1835 0.055 Uiso 1 1 calc R . .
C13 C -0.0291(4) 0.5028(4) 0.0942(3) 0.0540(15) Uani 1 1 d . . .
H13A H 0.0186 0.4757 0.0821 0.081 Uiso 1 1 calc R . .
H13B H -0.0457 0.5539 0.0623 0.081 Uiso 1 1 calc R . .
H13C H -0.0741 0.4608 0.0858 0.081 Uiso 1 1 calc R . .
C14 C 0.2111(3) 0.5671(4) 0.5570(3) 0.0397(12) Uani 1 1 d . A .
H14A H 0.1751 0.6180 0.5571 0.048 Uiso 1 1 calc R . .
H14B H 0.2584 0.5863 0.5383 0.048 Uiso 1 1 calc R . .
C15 C 0.2400(4) 0.5316(4) 0.6352(3) 0.0631(17) Uani 1 1 d . . .
H15A H 0.1931 0.5098 0.6523 0.095 Uiso 1 1 calc R . .
H15B H 0.2669 0.5781 0.6685 0.095 Uiso 1 1 calc R . .
H15C H 0.2786 0.4840 0.6353 0.095 Uiso 1 1 calc R . .
C16 C 0.0514(3) 0.6494(4) 0.3581(3) 0.0473(14) Uani 1 1 d . A .
H16A H -0.0065 0.6548 0.3307 0.057 Uiso 1 1 calc R . .
H16B H 0.0848 0.6445 0.3210 0.057 Uiso 1 1 calc R . .
C17 C 0.0768(3) 0.7292(3) 0.4056(3) 0.0404(12) Uani 1 1 d . . .
H17A H 0.0478 0.7306 0.4455 0.061 Uiso 1 1 calc R . .
H17B H 0.0633 0.7816 0.3747 0.061 Uiso 1 1 calc R . .
H17C H 0.1357 0.7274 0.4274 0.061 Uiso 1 1 calc R . .
C18 C 0.3706(2) 0.6976(3) 0.4403(2) 0.0187(8) Uani 1 1 d . . .
H18 H 0.4037 0.7147 0.4872 0.022 Uiso 1 1 calc R . .
C19 C 0.3104(2) 0.7613(3) 0.4001(2) 0.0187(8) Uani 1 1 d . . .
C20 C 0.3006(2) 0.8398(3) 0.4395(2) 0.0238(9) Uani 1 1 d . . .
H20 H 0.3302 0.8461 0.4898 0.029 Uiso 1 1 calc R . .
C21 C 0.2488(3) 0.9074(3) 0.4059(3) 0.0289(10) Uani 1 1 d . . .
H21 H 0.2425 0.9583 0.4331 0.035 Uiso 1 1 calc R . .
C22 C 0.2056(3) 0.8976(3) 0.3298(3) 0.0308(10) Uani 1 1 d . . .
H22 H 0.1705 0.9429 0.3060 0.037 Uiso 1 1 calc R . .
C23 C 0.2142(3) 0.8224(3) 0.2899(2) 0.0260(10) Uani 1 1 d . . .
H23 H 0.1856 0.8184 0.2391 0.031 Uiso 1 1 calc R . .
C24 C 0.2650(2) 0.7511(3) 0.3232(2) 0.0202(9) Uani 1 1 d . A .
C25 C 0.4891(2) 0.4674(3) 0.2969(2) 0.0218(9) Uani 1 1 d . . .
H25 H 0.5431 0.4501 0.3209 0.026 Uiso 1 1 calc R . .
C26 C 0.4655(2) 0.4603(3) 0.2153(2) 0.0211(8) Uani 1 1 d . . .
C27 C 0.5252(3) 0.4296(3) 0.1780(3) 0.0326(11) Uani 1 1 d . . .
H27 H 0.5773 0.4126 0.2070 0.039 Uiso 1 1 calc R . .
C28 C 0.5095(3) 0.4237(4) 0.1006(3) 0.0404(12) Uani 1 1 d . . .
H28 H 0.5502 0.4033 0.0772 0.048 Uiso 1 1 calc R . .
C29 C 0.4313(3) 0.4488(3) 0.0571(2) 0.0361(11) Uani 1 1 d . . .
H29 H 0.4201 0.4456 0.0043 0.043 Uiso 1 1 calc R . .
C30 C 0.3708(3) 0.4782(3) 0.0913(2) 0.0282(10) Uani 1 1 d . . .
H30 H 0.3190 0.4943 0.0611 0.034 Uiso 1 1 calc R . .
C31 C 0.3852(2) 0.4846(3) 0.1709(2) 0.0206(9) Uani 1 1 d . A .
C32 C 0.4747(2) 0.4961(3) 0.4204(2) 0.0176(8) Uani 1 1 d . . .
C33 C 0.4421(2) 0.5611(3) 0.4612(2) 0.0171(8) Uani 1 1 d . . .
C34 C 0.4677(2) 0.5649(3) 0.5400(2) 0.0178(8) Uani 1 1 d . . .
H34 H 0.4462 0.6083 0.5664 0.021 Uiso 1 1 calc R . .
Co1 Co 0.10819(3) 0.37734(4) 0.37438(3) 0.02112(13) Uani 1 1 d . . .
Dy1 Dy 0.293075(10) 0.536287(12) 0.310006(10) 0.01559(6) Uani 1 1 d . A .
N1 N 0.38191(18) 0.6192(2) 0.41631(18) 0.0169(7) Uani 1 1 d . . .
N2 N 0.44259(19) 0.4956(2) 0.34042(17) 0.0171(7) Uani 1 1 d . . .
O1 O 0.2407(2) 0.2433(2) 0.3546(3) 0.0562(11) Uani 1 1 d . . .
O2 O 0.27498(19) 0.3168(3) 0.4808(2) 0.0579(12) Uani 1 1 d . . .
O3 O 0.29740(16) 0.39944(19) 0.36675(17) 0.0271(7) Uani 1 1 d . . .
O4 O 0.1008(3) 0.3389(3) 0.2040(2) 0.0784(16) Uani 1 1 d . . .
O5 O 0.0111(2) 0.4594(3) 0.2259(2) 0.071 Uani 1 1 d . . .
O6 O 0.16504(16) 0.4871(2) 0.24412(15) 0.0280(7) Uani 1 1 d . . .
O7 O 0.1669(3) 0.4997(3) 0.50910(19) 0.0606(12) Uani 1 1 d . . .
O8 O 0.0623(2) 0.5701(2) 0.4054(3) 0.0628(13) Uani 1 1 d . . .
O9 O 0.21010(17) 0.56003(19) 0.39441(16) 0.0250(7) Uani 1 1 d . . .
O10 O 0.27056(16) 0.68013(18) 0.28233(15) 0.0205(6) Uani 1 1 d . . .
O11 O 0.32604(16) 0.51380(19) 0.20124(15) 0.0234(6) Uani 1 1 d . . .
P1 P 0.23764(7) 0.33918(8) 0.39345(7) 0.0288(3) Uani 1 1 d . A .
P2 P 0.10289(7) 0.42035(9) 0.25907(6) 0.0293(3) Uani 1 1 d . A .
P3 P 0.14221(7) 0.50928(8) 0.41812(7) 0.0264(3) Uani 1 1 d . A .
C4' C 0.0549(7) 0.2495(6) 0.3614(7) 0.025(3) Uani 0.353(12) 1 d PGU A 2
H4' H 0.0727 0.2019 0.3366 0.030 Uiso 0.353(12) 1 calc PR A 2
C5' C -0.0056(6) 0.3118(8) 0.3283(6) 0.024(3) Uani 0.353(12) 1 d PGU A 2
H5' H -0.0352 0.3130 0.2776 0.029 Uiso 0.353(12) 1 calc PR A 2
C3' C -0.0139(7) 0.3721(7) 0.3847(7) 0.030(4) Uani 0.353(12) 1 d PGU A 2
H3' H -0.0500 0.4204 0.3782 0.036 Uiso 0.353(12) 1 calc PR A 2
C2' C 0.0415(7) 0.3470(8) 0.4527(6) 0.030(3) Uani 0.353(12) 1 d PGU A 2
H2' H 0.0487 0.3757 0.4993 0.037 Uiso 0.353(12) 1 calc PR A 2
C1' C 0.0840(6) 0.2712(8) 0.4382(7) 0.033(4) Uani 0.353(12) 1 d PGU A 2
H1' H 0.1246 0.2406 0.4736 0.039 Uiso 0.353(12) 1 calc PR A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C5 1.422(5) . ?
C1 C2 1.422(5) . ?
C1 Co1 2.106(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.422(5) . ?
C2 Co1 2.095(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.422(5) . ?
C3 Co1 2.067(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.422(5) . ?
C4 Co1 2.060(5) . ?
C4 H4 0.9300 . ?
C5 Co1 2.084(5) . ?
C5 H5 0.9300 . ?
C6 O1 1.408(6) . ?
C6 C7 1.444(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O2 1.358(6) . ?
C8 C9 1.411(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.379(8) . ?
C10 O4 1.383(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O5 1.410(6) . ?
C12 C13 1.452(7) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O7 1.418(6) . ?
C14 C15 1.479(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O8 1.454(7) . ?
C16 C17 1.478(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N1 1.286(5) . ?
C18 C19 1.445(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.409(6) . ?
C19 C24 1.422(5) . ?
C20 C21 1.373(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.397(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.367(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.405(6) . ?
C23 H23 0.9300 . ?
C24 O10 1.315(5) . ?
C25 N2 1.299(5) . ?
C25 C26 1.437(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.403(6) . ?
C26 C31 1.426(5) . ?
C27 C28 1.365(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.394(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.371(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.407(6) . ?
C30 H30 0.9300 . ?
C31 O11 1.308(5) . ?
C32 C34 1.390(5) 3_666 ?
C32 C33 1.408(5) . ?
C32 N2 1.417(5) . ?
C33 C34 1.388(5) . ?
C33 N1 1.423(5) . ?
C34 C32 1.390(5) 3_666 ?
C34 H34 0.9300 . ?
Co1 C2' 2.047(10) . ?
Co1 C1' 2.065(10) . ?
Co1 C3' 2.075(10) . ?
Co1 C4' 2.104(10) . ?
Co1 C5' 2.110(10) . ?
Co1 P3 2.1600(13) . ?
Co1 P1 2.1631(12) . ?
Dy1 O11 2.193(3) . ?
Dy1 O10 2.231(3) . ?
Dy1 O6 2.288(3) . ?
Dy1 O3 2.293(3) . ?
Dy1 O9 2.315(3) . ?
Dy1 N1 2.461(3) . ?
Dy1 N2 2.478(3) . ?
O1 P1 1.610(4) . ?
O2 P1 1.589(4) . ?
O3 P1 1.504(3) . ?
O4 P2 1.574(4) . ?
O5 P2 1.603(4) . ?
O6 P2 1.508(3) . ?
O7 P3 1.605(4) . ?
O8 P3 1.578(4) . ?
O9 P3 1.504(3) . ?
C4' C5' 1.397(9) . ?
C4' C1' 1.397(9) . ?
C4' H4' 0.9300 . ?
C5' C3' 1.397(9) . ?
C5' H5' 0.9300 . ?
C3' C2' 1.397(9) . ?
C3' H3' 0.9300 . ?
C2' C1' 1.397(9) . ?
C2' H2' 0.9300 . ?
C1' H1' 0.9300 . ?

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
C5 C1 C2 108.0 . . ?
C5 C1 Co1 69.33(18) . . ?
C2 C1 Co1 69.83(19) . . ?
C5 C1 H1 126.0 . . ?
C2 C1 H1 126.0 . . ?
Co1 C1 H1 126.4 . . ?
C3 C2 C1 108.0 . . ?
C3 C2 Co1 68.95(18) . . ?
C1 C2 Co1 70.60(19) . . ?
C3 C2 H2 126.0 . . ?
C1 C2 H2 126.0 . . ?
Co1 C2 H2 126.0 . . ?
C2 C3 C4 108.0 . . ?
C2 C3 Co1 71.11(18) . . ?
C4 C3 Co1 69.57(19) . . ?
C2 C3 H3 126.0 . . ?
C4 C3 H3 126.0 . . ?
Co1 C3 H3 124.9 . . ?
C5 C4 C3 108.0 . . ?
C5 C4 Co1 70.84(19) . . ?
C3 C4 Co1 70.13(19) . . ?
C5 C4 H4 126.0 . . ?
C3 C4 H4 126.0 . . ?
Co1 C4 H4 124.6 . . ?
C1 C5 C4 108.0 . . ?
C1 C5 Co1 71.00(18) . . ?
C4 C5 Co1 69.02(19) . . ?
C1 C5 H5 126.0 . . ?
C4 C5 H5 126.0 . . ?
Co1 C5 H5 125.6 . . ?
O1 C6 C7 111.8(5) . . ?
O1 C6 H6A 109.3 . . ?
C7 C6 H6A 109.3 . . ?
O1 C6 H6B 109.3 . . ?
C7 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 120.2(5) . . ?
O2 C8 H8A 107.3 . . ?
C9 C8 H8A 107.3 . . ?
O2 C8 H8B 107.3 . . ?
C9 C8 H8B 107.3 . . ?
H8A C8 H8B 106.9 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 O4 121.9(6) . . ?
C11 C10 H10A 106.9 . . ?
O4 C10 H10A 106.9 . . ?
C11 C10 H10B 106.9 . . ?
O4 C10 H10B 106.9 . . ?
H10A C10 H10B 106.7 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 114.4(5) . . ?
O5 C12 H12A 108.7 . . ?
C13 C12 H12A 108.7 . . ?
O5 C12 H12B 108.7 . . ?
C13 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 109.1(5) . . ?
O7 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
O7 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 110.2(4) . . ?
O8 C16 H16A 109.6 . . ?
C17 C16 H16A 109.6 . . ?
O8 C16 H16B 109.6 . . ?
C17 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 C19 125.2(4) . . ?
N1 C18 H18 117.4 . . ?
C19 C18 H18 117.4 . . ?
C20 C19 C24 119.2(4) . . ?
C20 C19 C18 116.7(3) . . ?
C24 C19 C18 124.0(4) . . ?
C21 C20 C19 122.1(4) . . ?
C21 C20 H20 118.9 . . ?
C19 C20 H20 118.9 . . ?
C20 C21 C22 118.3(4) . . ?
C20 C21 H21 120.8 . . ?
C22 C21 H21 120.8 . . ?
C23 C22 C21 120.9(4) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 122.2(4) . . ?
C22 C23 H23 118.9 . . ?
C24 C23 H23 118.9 . . ?
O10 C24 C23 119.7(4) . . ?
O10 C24 C19 123.1(4) . . ?
C23 C24 C19 117.2(4) . . ?
N2 C25 C26 126.4(3) . . ?
N2 C25 H25 116.8 . . ?
C26 C25 H25 116.8 . . ?
C27 C26 C31 118.8(4) . . ?
C27 C26 C25 118.1(4) . . ?
C31 C26 C25 123.1(3) . . ?
C28 C27 C26 122.3(4) . . ?
C28 C27 H27 118.9 . . ?
C26 C27 H27 118.9 . . ?
C27 C28 C29 118.9(4) . . ?
C27 C28 H28 120.6 . . ?
C29 C28 H28 120.6 . . ?
C30 C29 C28 120.8(4) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C29 C30 C31 121.5(4) . . ?
C29 C30 H30 119.2 . . ?
C31 C30 H30 119.2 . . ?
O11 C31 C30 119.7(4) . . ?
O11 C31 C26 122.7(3) . . ?
C30 C31 C26 117.7(4) . . ?
C34 C32 C33 119.3(3) 3_666 . ?
C34 C32 N2 124.4(3) 3_666 . ?
C33 C32 N2 116.3(3) . . ?
C34 C33 C32 120.4(3) . . ?
C34 C33 N1 124.0(3) . . ?
C32 C33 N1 115.5(3) . . ?
C33 C34 C32 120.3(4) . 3_666 ?
C33 C34 H34 119.9 . . ?
C32 C34 H34 119.9 3_666 . ?
C2' Co1 C4 64.8(3) . . ?
C2' Co1 C1' 39.7(2) . . ?
C4 Co1 C1' 52.4(3) . . ?
C2' Co1 C3 52.4(3) . . ?
C4 Co1 C3 40.31(13) . . ?
C1' Co1 C3 16.8(3) . . ?
C2' Co1 C3' 39.6(2) . . ?
C4 Co1 C3' 50.0(3) . . ?
C1' Co1 C3' 66.2(4) . . ?
C3 Co1 C3' 68.8(3) . . ?
C2' Co1 C5 50.3(3) . . ?
C4 Co1 C5 40.13(12) . . ?
C1' Co1 C5 69.0(3) . . ?
C3 Co1 C5 67.3(2) . . ?
C3' Co1 C5 13.6(3) . . ?
C2' Co1 C2 21.2(3) . . ?
C4 Co1 C2 67.2(2) . . ?
C1' Co1 C2 23.7(3) . . ?
C3 Co1 C2 39.94(12) . . ?
C3' Co1 C2 58.5(3) . . ?
C5 Co1 C2 66.8(2) . . ?
C2' Co1 C4' 66.0(4) . . ?
C4 Co1 C4' 21.0(2) . . ?
C1' Co1 C4' 39.1(2) . . ?
C3 Co1 C4' 23.4(2) . . ?
C3' Co1 C4' 65.5(4) . . ?
C5 Co1 C4' 58.5(2) . . ?
C2 Co1 C4' 60.0(3) . . ?
C2' Co1 C1 18.4(3) . . ?
C4 Co1 C1 67.0(2) . . ?
C1' Co1 C1 56.7(3) . . ?
C3 Co1 C1 66.9(2) . . ?
C3' Co1 C1 26.6(3) . . ?
C5 Co1 C1 39.67(12) . . ?
C2 Co1 C1 39.56(12) . . ?
C4' Co1 C1 74.9(3) . . ?
C2' Co1 C5' 65.8(4) . . ?
C4 Co1 C5' 17.7(2) . . ?
C1' Co1 C5' 65.5(4) . . ?
C3 Co1 C5' 56.2(2) . . ?
C3' Co1 C5' 39.0(2) . . ?
C5 Co1 C5' 26.5(2) . . ?
C2 Co1 C5' 74.8(3) . . ?
C4' Co1 C5' 38.7(2) . . ?
C1 Co1 C5' 61.9(3) . . ?
C2' Co1 P3 95.0(3) . . ?
C4 Co1 P3 149.87(18) . . ?
C1' Co1 P3 125.0(4) . . ?
C3 Co1 P3 141.7(2) . . ?
C3' Co1 P3 100.1(3) . . ?
C5 Co1 P3 109.83(18) . . ?
C2 Co1 P3 102.40(17) . . ?
C4' Co1 P3 161.0(3) . . ?
C1 Co1 P3 86.84(15) . . ?
C5' Co1 P3 134.6(3) . . ?
C2' Co1 P1 120.6(4) . . ?
C4 Co1 P1 117.81(19) . . ?
C1' Co1 P1 91.4(3) . . ?
C3 Co1 P1 90.21(15) . . ?
C3' Co1 P1 157.5(3) . . ?
C5 Co1 P1 156.73(16) . . ?
C2 Co1 P1 100.21(16) . . ?
C4' Co1 P1 98.5(3) . . ?
C1 Co1 P1 137.39(18) . . ?
C5' Co1 P1 133.9(3) . . ?
P3 Co1 P1 91.42(5) . . ?
O11 Dy1 O10 90.69(10) . . ?
O11 Dy1 O6 83.20(10) . . ?
O10 Dy1 O6 96.47(10) . . ?
O11 Dy1 O3 106.04(11) . . ?
O10 Dy1 O3 162.92(10) . . ?
O6 Dy1 O3 82.45(10) . . ?
O11 Dy1 O9 158.78(10) . . ?
O10 Dy1 O9 84.56(10) . . ?
O6 Dy1 O9 76.82(10) . . ?
O3 Dy1 O9 78.58(10) . . ?
O11 Dy1 N1 123.33(10) . . ?
O10 Dy1 N1 73.75(10) . . ?
O6 Dy1 N1 150.98(10) . . ?
O3 Dy1 N1 98.99(11) . . ?
O9 Dy1 N1 75.11(10) . . ?
O11 Dy1 N2 73.15(10) . . ?
O10 Dy1 N2 113.15(10) . . ?
O6 Dy1 N2 141.71(11) . . ?
O3 Dy1 N2 75.94(10) . . ?
O9 Dy1 N2 127.64(10) . . ?
N1 Dy1 N2 64.88(10) . . ?
C18 N1 C33 120.7(3) . . ?
C18 N1 Dy1 128.3(3) . . ?
C33 N1 Dy1 109.8(2) . . ?
C25 N2 C32 119.4(3) . . ?
C25 N2 Dy1 130.7(3) . . ?
C32 N2 Dy1 109.5(2) . . ?
C6 O1 P1 119.8(4) . . ?
C8 O2 P1 126.5(3) . . ?
P1 O3 Dy1 137.10(16) . . ?
C10 O4 P2 127.3(4) . . ?
C12 O5 P2 124.7(3) . . ?
P2 O6 Dy1 135.00(17) . . ?
C14 O7 P3 122.0(3) . . ?
C16 O8 P3 122.8(3) . . ?
P3 O9 Dy1 135.48(16) . . ?
C24 O10 Dy1 133.7(2) . . ?
C31 O11 Dy1 143.3(2) . . ?
O3 P1 O2 108.65(18) . . ?
O3 P1 O1 107.86(18) . . ?
O2 P1 O1 101.5(2) . . ?
O3 P1 Co1 119.42(12) . . ?
O2 P1 Co1 110.32(15) . . ?
O1 P1 Co1 107.57(14) . . ?
O6 P2 O4 108.44(19) . . ?
O6 P2 O5 108.33(19) . . ?
O4 P2 O5 100.0(3) . . ?
O6 P2 Co1 120.06(12) . . ?
O4 P2 Co1 111.55(18) . . ?
O5 P2 Co1 106.52(14) . . ?
O9 P3 O8 108.75(19) . . ?
O9 P3 O7 108.44(18) . . ?
O8 P3 O7 101.5(2) . . ?
O9 P3 Co1 120.54(12) . . ?
O8 P3 Co1 110.10(15) . . ?
O7 P3 Co1 105.83(15) . . ?
C5' C4' C1' 108.0 . . ?
C5' C4' Co1 70.9(4) . . ?
C1' C4' Co1 68.9(3) . . ?
C5' C4' H4' 126.0 . . ?
C1' C4' H4' 126.0 . . ?
Co1 C4' H4' 125.8 . . ?
C4' C5' C3' 108.0 . . ?
C4' C5' Co1 70.4(4) . . ?
C3' C5' Co1 69.2(4) . . ?
C4' C5' H5' 126.0 . . ?
C3' C5' H5' 126.0 . . ?
Co1 C5' H5' 126.0 . . ?
C2' C3' C5' 108.0 . . ?
C2' C3' Co1 69.1(4) . . ?
C5' C3' Co1 71.9(4) . . ?
C2' C3' H3' 126.0 . . ?
C5' C3' H3' 126.0 . . ?
Co1 C3' H3' 124.6 . . ?
C1' C2' C3' 108.0 . . ?
C1' C2' Co1 70.8(4) . . ?
C3' C2' Co1 71.3(4) . . ?
C1' C2' H2' 126.0 . . ?
C3' C2' H2' 126.0 . . ?
Co1 C2' H2' 123.5 . . ?
C2' C1' C4' 108.0 . . ?
C2' C1' Co1 69.4(4) . . ?
C4' C1' Co1 71.9(4) . . ?
C2' C1' H1' 126.0 . . ?
C4' C1' H1' 126.0 . . ?
Co1 C1' H1' 124.2 . . ?

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
C5 C1 C2 C3 0.0 . . . . ?
Co1 C1 C2 C3 -59.02(19) . . . . ?
C5 C1 C2 Co1 59.02(19) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
Co1 C2 C3 C4 -60.1(2) . . . . ?
C1 C2 C3 Co1 60.1(2) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
Co1 C3 C4 C5 -61.0(2) . . . . ?
C2 C3 C4 Co1 61.0(2) . . . . ?
C2 C1 C5 C4 0.0 . . . . ?
Co1 C1 C5 C4 59.3(2) . . . . ?
C2 C1 C5 Co1 -59.3(2) . . . . ?
C3 C4 C5 C1 0.0 . . . . ?
Co1 C4 C5 C1 -60.6(2) . . . . ?
C3 C4 C5 Co1 60.6(2) . . . . ?
N1 C18 C19 C20 172.9(4) . . . . ?
N1 C18 C19 C24 -10.5(6) . . . . ?
C24 C19 C20 C21 -0.4(6) . . . . ?
C18 C19 C20 C21 176.4(4) . . . . ?
C19 C20 C21 C22 -0.9(6) . . . . ?
C20 C21 C22 C23 0.5(7) . . . . ?
C21 C22 C23 C24 1.3(7) . . . . ?
C22 C23 C24 O10 179.5(4) . . . . ?
C22 C23 C24 C19 -2.5(6) . . . . ?
C20 C19 C24 O10 179.9(4) . . . . ?
C18 C19 C24 O10 3.4(6) . . . . ?
C20 C19 C24 C23 2.1(5) . . . . ?
C18 C19 C24 C23 -174.5(4) . . . . ?
N2 C25 C26 C27 179.0(4) . . . . ?
N2 C25 C26 C31 0.2(7) . . . . ?
C31 C26 C27 C28 1.3(7) . . . . ?
C25 C26 C27 C28 -177.6(5) . . . . ?
C26 C27 C28 C29 -0.2(8) . . . . ?
C27 C28 C29 C30 -0.6(8) . . . . ?
C28 C29 C30 C31 0.4(7) . . . . ?
C29 C30 C31 O11 179.3(4) . . . . ?
C29 C30 C31 C26 0.7(6) . . . . ?
C27 C26 C31 O11 180.0(4) . . . . ?
C25 C26 C31 O11 -1.2(6) . . . . ?
C27 C26 C31 C30 -1.5(6) . . . . ?
C25 C26 C31 C30 177.3(4) . . . . ?
C34 C32 C33 C34 0.6(6) 3_666 . . . ?
N2 C32 C33 C34 177.8(3) . . . . ?
C34 C32 C33 N1 -178.4(3) 3_666 . . . ?
N2 C32 C33 N1 -1.2(5) . . . . ?
C32 C33 C34 C32 -0.6(6) . . . 3_666 ?
N1 C33 C34 C32 178.3(3) . . . 3_666 ?
C5 C4 Co1 C2' 57.4(3) . . . . ?
C3 C4 Co1 C2' -60.8(3) . . . . ?
C5 C4 Co1 C1' 102.1(4) . . . . ?
C3 C4 Co1 C1' -16.1(4) . . . . ?
C5 C4 Co1 C3 118.26(11) . . . . ?
C5 C4 Co1 C3' 13.3(4) . . . . ?
C3 C4 Co1 C3' -105.0(4) . . . . ?
C3 C4 Co1 C5 -118.26(11) . . . . ?
C5 C4 Co1 C2 80.50(13) . . . . ?
C3 C4 Co1 C2 -37.75(8) . . . . ?
C5 C4 Co1 C4' 145.6(9) . . . . ?
C3 C4 Co1 C4' 27.3(9) . . . . ?
C5 C4 Co1 C1 37.41(8) . . . . ?
C3 C4 Co1 C1 -80.85(13) . . . . ?
C5 C4 Co1 C5' -31.7(11) . . . . ?
C3 C4 Co1 C5' -149.9(11) . . . . ?
C5 C4 Co1 P3 5.5(5) . . . . ?
C3 C4 Co1 P3 -112.7(5) . . . . ?
C5 C4 Co1 P1 170.3(2) . . . . ?
C3 C4 Co1 P1 52.0(2) . . . . ?
C2 C3 Co1 C2' -24.0(4) . . . . ?
C4 C3 Co1 C2' 94.5(4) . . . . ?
C2 C3 Co1 C4 -118.43(12) . . . . ?
C2 C3 Co1 C1' 11.8(12) . . . . ?
C4 C3 Co1 C1' 130.2(11) . . . . ?
C2 C3 Co1 C3' -65.9(3) . . . . ?
C4 C3 Co1 C3' 52.5(3) . . . . ?
C2 C3 Co1 C5 -80.45(13) . . . . ?
C4 C3 Co1 C5 37.98(8) . . . . ?
C4 C3 Co1 C2 118.43(12) . . . . ?
C2 C3 Co1 C4' -143.0(8) . . . . ?
C4 C3 Co1 C4' -24.5(8) . . . . ?
C2 C3 Co1 C1 -37.22(8) . . . . ?
C4 C3 Co1 C1 81.20(13) . . . . ?
C2 C3 Co1 C5' -107.9(3) . . . . ?
C4 C3 Co1 C5' 10.6(4) . . . . ?
C2 C3 Co1 P3 13.2(3) . . . . ?
C4 C3 Co1 P3 131.6(4) . . . . ?
C2 C3 Co1 P1 105.8(2) . . . . ?
C4 C3 Co1 P1 -135.8(3) . . . . ?
C1 C5 Co1 C2' 21.5(4) . . . . ?
C4 C5 Co1 C2' -97.4(4) . . . . ?
C1 C5 Co1 C4 118.82(11) . . . . ?
C1 C5 Co1 C1' 62.7(3) . . . . ?
C4 C5 Co1 C1' -56.1(3) . . . . ?
C1 C5 Co1 C3 80.68(13) . . . . ?
C4 C5 Co1 C3 -38.14(8) . . . . ?
C1 C5 Co1 C3' -12.7(15) . . . . ?
C4 C5 Co1 C3' -131.5(15) . . . . ?
C1 C5 Co1 C2 37.15(8) . . . . ?
C4 C5 Co1 C2 -81.67(13) . . . . ?
C1 C5 Co1 C4' 105.1(3) . . . . ?
C4 C5 Co1 C4' -13.8(3) . . . . ?
C4 C5 Co1 C1 -118.82(12) . . . . ?
C1 C5 Co1 C5' 139.8(7) . . . . ?
C4 C5 Co1 C5' 21.0(7) . . . . ?
C1 C5 Co1 P3 -58.2(2) . . . . ?
C4 C5 Co1 P3 -177.1(3) . . . . ?
C1 C5 Co1 P1 96.6(6) . . . . ?
C4 C5 Co1 P1 -22.2(6) . . . . ?
C3 C2 Co1 C2' 117.0(9) . . . . ?
C1 C2 Co1 C2' -2.1(9) . . . . ?
C3 C2 Co1 C4 38.10(8) . . . . ?
C1 C2 Co1 C4 -81.02(13) . . . . ?
C3 C2 Co1 C1' -8.4(8) . . . . ?
C1 C2 Co1 C1' -127.5(8) . . . . ?
C1 C2 Co1 C3 -119.11(12) . . . . ?
C3 C2 Co1 C3' 94.0(3) . . . . ?
C1 C2 Co1 C3' -25.1(4) . . . . ?
C3 C2 Co1 C5 81.86(13) . . . . ?
C1 C2 Co1 C5 -37.25(8) . . . . ?
C3 C2 Co1 C4' 16.0(3) . . . . ?
C1 C2 Co1 C4' -103.1(3) . . . . ?
C3 C2 Co1 C1 119.11(12) . . . . ?
C3 C2 Co1 C5' 55.1(3) . . . . ?
C1 C2 Co1 C5' -64.1(3) . . . . ?
C3 C2 Co1 P3 -171.7(2) . . . . ?
C1 C2 Co1 P3 69.2(2) . . . . ?
C3 C2 Co1 P1 -77.9(2) . . . . ?
C1 C2 Co1 P1 163.0(2) . . . . ?
C5 C1 Co1 C2' -116.9(10) . . . . ?
C2 C1 Co1 C2' 2.4(11) . . . . ?
C5 C1 Co1 C4 -37.83(8) . . . . ?
C2 C1 Co1 C4 81.54(14) . . . . ?
C5 C1 Co1 C1' -96.9(3) . . . . ?
C2 C1 Co1 C1' 22.5(4) . . . . ?
C5 C1 Co1 C3 -81.80(13) . . . . ?
C2 C1 Co1 C3 37.57(8) . . . . ?
C5 C1 Co1 C3' 6.6(8) . . . . ?
C2 C1 Co1 C3' 126.0(8) . . . . ?
C2 C1 Co1 C5 119.37(12) . . . . ?
C5 C1 Co1 C2 -119.37(12) . . . . ?
C5 C1 Co1 C4' -58.5(3) . . . . ?
C2 C1 Co1 C4' 60.9(3) . . . . ?
C5 C1 Co1 C5' -19.0(3) . . . . ?
C2 C1 Co1 C5' 100.3(3) . . . . ?
C5 C1 Co1 P3 126.8(3) . . . . ?
C2 C1 Co1 P3 -113.9(3) . . . . ?
C5 C1 Co1 P1 -144.6(3) . . . . ?
C2 C1 Co1 P1 -25.2(3) . . . . ?
C19 C18 N1 C33 -178.9(3) . . . . ?
C19 C18 N1 Dy1 -12.8(6) . . . . ?
C34 C33 N1 C18 26.8(5) . . . . ?
C32 C33 N1 C18 -154.2(4) . . . . ?
C34 C33 N1 Dy1 -141.7(3) . . . . ?
C32 C33 N1 Dy1 37.3(4) . . . . ?
O11 Dy1 N1 C18 107.0(3) . . . . ?
O10 Dy1 N1 C18 27.2(3) . . . . ?
O6 Dy1 N1 C18 -46.3(4) . . . . ?
O3 Dy1 N1 C18 -137.0(3) . . . . ?
O9 Dy1 N1 C18 -61.4(3) . . . . ?
N2 Dy1 N1 C18 153.3(3) . . . . ?
O11 Dy1 N1 C33 -85.7(2) . . . . ?
O10 Dy1 N1 C33 -165.5(2) . . . . ?
O6 Dy1 N1 C33 121.0(3) . . . . ?
O3 Dy1 N1 C33 30.4(2) . . . . ?
O9 Dy1 N1 C33 105.9(2) . . . . ?
N2 Dy1 N1 C33 -39.4(2) . . . . ?
C26 C25 N2 C32 178.2(4) . . . . ?
C26 C25 N2 Dy1 6.3(6) . . . . ?
C34 C32 N2 C25 -31.6(6) 3_666 . . . ?
C33 C32 N2 C25 151.3(4) . . . . ?
C34 C32 N2 Dy1 141.9(3) 3_666 . . . ?
C33 C32 N2 Dy1 -35.1(4) . . . . ?
O11 Dy1 N2 C25 -7.9(3) . . . . ?
O10 Dy1 N2 C25 -91.2(4) . . . . ?
O6 Dy1 N2 C25 46.5(4) . . . . ?
O3 Dy1 N2 C25 104.1(4) . . . . ?
O9 Dy1 N2 C25 167.3(3) . . . . ?
N1 Dy1 N2 C25 -148.8(4) . . . . ?
O11 Dy1 N2 C32 179.6(3) . . . . ?
O10 Dy1 N2 C32 96.2(2) . . . . ?
O6 Dy1 N2 C32 -126.1(2) . . . . ?
O3 Dy1 N2 C32 -68.5(2) . . . . ?
O9 Dy1 N2 C32 -5.3(3) . . . . ?
N1 Dy1 N2 C32 38.7(2) . . . . ?
C7 C6 O1 P1 -178.9(5) . . . . ?
C9 C8 O2 P1 -170.6(6) . . . . ?
O11 Dy1 O3 P1 -119.1(3) . . . . ?
O10 Dy1 O3 P1 49.0(5) . . . . ?
O6 Dy1 O3 P1 -38.5(3) . . . . ?
O9 Dy1 O3 P1 39.5(3) . . . . ?
N1 Dy1 O3 P1 112.2(3) . . . . ?
N2 Dy1 O3 P1 173.4(3) . . . . ?
C11 C10 O4 P2 -78.8(9) . . . . ?
C13 C12 O5 P2 90.7(5) . . . . ?
O11 Dy1 O6 P2 132.1(3) . . . . ?
O10 Dy1 O6 P2 -138.0(3) . . . . ?
O3 Dy1 O6 P2 24.8(3) . . . . ?
O9 Dy1 O6 P2 -55.2(3) . . . . ?
N1 Dy1 O6 P2 -70.1(4) . . . . ?
N2 Dy1 O6 P2 80.5(3) . . . . ?
C15 C14 O7 P3 -168.0(4) . . . . ?
C17 C16 O8 P3 -96.4(5) . . . . ?
O11 Dy1 O9 P3 61.3(4) . . . . ?
O10 Dy1 O9 P3 139.1(3) . . . . ?
O6 Dy1 O9 P3 41.2(2) . . . . ?
O3 Dy1 O9 P3 -43.6(2) . . . . ?
N1 Dy1 O9 P3 -146.3(3) . . . . ?
N2 Dy1 O9 P3 -105.7(3) . . . . ?
C23 C24 O10 Dy1 -150.1(3) . . . . ?
C19 C24 O10 Dy1 32.1(5) . . . . ?
O11 Dy1 O10 C24 -162.5(3) . . . . ?
O6 Dy1 O10 C24 114.3(3) . . . . ?
O3 Dy1 O10 C24 29.0(5) . . . . ?
O9 Dy1 O10 C24 38.3(3) . . . . ?
N1 Dy1 O10 C24 -37.8(3) . . . . ?
N2 Dy1 O10 C24 -90.5(3) . . . . ?
C30 C31 O11 Dy1 175.1(3) . . . . ?
C26 C31 O11 Dy1 -6.4(7) . . . . ?
O10 Dy1 O11 C31 122.7(4) . . . . ?
O6 Dy1 O11 C31 -140.8(4) . . . . ?
O3 Dy1 O11 C31 -60.7(4) . . . . ?
O9 Dy1 O11 C31 -160.6(4) . . . . ?
N1 Dy1 O11 C31 51.8(5) . . . . ?
N2 Dy1 O11 C31 8.7(4) . . . . ?
Dy1 O3 P1 O2 -124.4(3) . . . . ?
Dy1 O3 P1 O1 126.3(3) . . . . ?
Dy1 O3 P1 Co1 3.3(3) . . . . ?
C8 O2 P1 O3 -1.3(6) . . . . ?
C8 O2 P1 O1 112.3(6) . . . . ?
C8 O2 P1 Co1 -133.9(5) . . . . ?
C6 O1 P1 O3 40.2(5) . . . . ?
C6 O1 P1 O2 -73.9(5) . . . . ?
C6 O1 P1 Co1 170.2(4) . . . . ?
C2' Co1 P1 O3 -144.8(4) . . . . ?
C4 Co1 P1 O3 139.5(2) . . . . ?
C1' Co1 P1 O3 -173.2(4) . . . . ?
C3 Co1 P1 O3 170.1(2) . . . . ?
C3' Co1 P1 O3 -169.3(9) . . . . ?
C5 Co1 P1 O3 155.5(5) . . . . ?
C2 Co1 P1 O3 -151.0(2) . . . . ?
C4' Co1 P1 O3 148.2(4) . . . . ?
C1 Co1 P1 O3 -135.0(3) . . . . ?
C5' Co1 P1 O3 130.4(4) . . . . ?
P3 Co1 P1 O3 -48.14(16) . . . . ?
C2' Co1 P1 O2 -17.9(4) . . . . ?
C4 Co1 P1 O2 -93.7(2) . . . . ?
C1' Co1 P1 O2 -46.3(4) . . . . ?
C3 Co1 P1 O2 -63.0(3) . . . . ?
C3' Co1 P1 O2 -42.4(9) . . . . ?
C5 Co1 P1 O2 -77.6(5) . . . . ?
C2 Co1 P1 O2 -24.1(2) . . . . ?
C4' Co1 P1 O2 -84.9(4) . . . . ?
C1 Co1 P1 O2 -8.1(3) . . . . ?
C5' Co1 P1 O2 -102.7(4) . . . . ?
P3 Co1 P1 O2 78.75(18) . . . . ?
C2' Co1 P1 O1 92.0(4) . . . . ?
C4 Co1 P1 O1 16.2(2) . . . . ?
C1' Co1 P1 O1 63.6(4) . . . . ?
C3 Co1 P1 O1 46.9(3) . . . . ?
C3' Co1 P1 O1 67.5(9) . . . . ?
C5 Co1 P1 O1 32.2(5) . . . . ?
C2 Co1 P1 O1 85.8(2) . . . . ?
C4' Co1 P1 O1 24.9(4) . . . . ?
C1 Co1 P1 O1 101.8(3) . . . . ?
C5' Co1 P1 O1 7.1(4) . . . . ?
P3 Co1 P1 O1 -171.37(17) . . . . ?
Dy1 O6 P2 O4 -110.4(3) . . . . ?
Dy1 O6 P2 O5 142.0(3) . . . . ?
Dy1 O6 P2 Co1 19.4(3) . . . . ?
C10 O4 P2 O6 20.3(6) . . . . ?
C10 O4 P2 O5 133.6(6) . . . . ?
C10 O4 P2 Co1 -114.1(5) . . . . ?
C12 O5 P2 O6 16.6(5) . . . . ?
C12 O5 P2 O4 -96.7(5) . . . . ?
C12 O5 P2 Co1 147.1(4) . . . . ?
C2' Co1 P2 O6 138.6(6) . . . . ?
C4 Co1 P2 O6 -172.2(2) . . . . ?
C1' Co1 P2 O6 -149.5(5) . . . . ?
C3 Co1 P2 O6 -146.1(2) . . . . ?
C3' Co1 P2 O6 138.4(3) . . . . ?
C5 Co1 P2 O6 147.5(2) . . . . ?
C2 Co1 P2 O6 174.4(6) . . . . ?
C4' Co1 P2 O6 -153.4(3) . . . . ?
C1 Co1 P2 O6 124.5(2) . . . . ?
C5' Co1 P2 O6 172.0(4) . . . . ?
P3 Co1 P2 O6 37.39(16) . . . . ?
P1 Co1 P2 O6 -54.09(16) . . . . ?
C2' Co1 P2 O4 -93.0(6) . . . . ?
C4 Co1 P2 O4 -43.8(3) . . . . ?
C1' Co1 P2 O4 -21.1(5) . . . . ?
C3 Co1 P2 O4 -17.7(3) . . . . ?
C3' Co1 P2 O4 -93.2(4) . . . . ?
C5 Co1 P2 O4 -84.0(3) . . . . ?
C2 Co1 P2 O4 -57.2(6) . . . . ?
C4' Co1 P2 O4 -25.0(3) . . . . ?
C1 Co1 P2 O4 -107.1(3) . . . . ?
C5' Co1 P2 O4 -59.6(4) . . . . ?
P3 Co1 P2 O4 165.8(2) . . . . ?
P1 Co1 P2 O4 74.3(2) . . . . ?
C2' Co1 P2 O5 15.2(6) . . . . ?
C4 Co1 P2 O5 64.4(3) . . . . ?
C1' Co1 P2 O5 87.1(5) . . . . ?
C3 Co1 P2 O5 90.5(3) . . . . ?
C3' Co1 P2 O5 14.9(4) . . . . ?
C5 Co1 P2 O5 24.1(3) . . . . ?
C2 Co1 P2 O5 51.0(6) . . . . ?
C4' Co1 P2 O5 83.1(3) . . . . ?
C1 Co1 P2 O5 1.1(3) . . . . ?
C5' Co1 P2 O5 48.6(4) . . . . ?
P3 Co1 P2 O5 -86.02(19) . . . . ?
P1 Co1 P2 O5 -177.50(19) . . . . ?
Dy1 O9 P3 O8 -124.2(3) . . . . ?
Dy1 O9 P3 O7 126.3(3) . . . . ?
Dy1 O9 P3 Co1 4.2(3) . . . . ?
C16 O8 P3 O9 16.4(5) . . . . ?
C16 O8 P3 O7 130.6(4) . . . . ?
C16 O8 P3 Co1 -117.7(4) . . . . ?
C14 O7 P3 O9 34.1(5) . . . . ?
C14 O7 P3 O8 -80.3(4) . . . . ?
C14 O7 P3 Co1 164.7(4) . . . . ?
C2' Co1 P3 O9 165.6(4) . . . . ?
C4 Co1 P3 O9 -148.7(4) . . . . ?
C1' Co1 P3 O9 137.4(4) . . . . ?
C3 Co1 P3 O9 136.9(3) . . . . ?
C3' Co1 P3 O9 -154.7(4) . . . . ?
C5 Co1 P3 O9 -144.9(2) . . . . ?
C2 Co1 P3 O9 145.5(2) . . . . ?
C4' Co1 P3 O9 166.3(10) . . . . ?
C1 Co1 P3 O9 -177.9(2) . . . . ?
C5' Co1 P3 O9 -133.7(4) . . . . ?
P1 Co1 P3 O9 44.75(16) . . . . ?
C2' Co1 P3 O8 -66.5(4) . . . . ?
C4 Co1 P3 O8 -20.9(4) . . . . ?
C1' Co1 P3 O8 -94.8(4) . . . . ?
C3 Co1 P3 O8 -95.3(3) . . . . ?
C3' Co1 P3 O8 -26.9(4) . . . . ?
C5 Co1 P3 O8 -17.1(3) . . . . ?
C2 Co1 P3 O8 -86.6(2) . . . . ?
C4' Co1 P3 O8 -65.9(10) . . . . ?
C1 Co1 P3 O8 -50.0(3) . . . . ?
C5' Co1 P3 O8 -5.9(4) . . . . ?
P1 Co1 P3 O8 172.58(19) . . . . ?
C2' Co1 P3 O7 42.3(4) . . . . ?
C4 Co1 P3 O7 88.0(4) . . . . ?
C1' Co1 P3 O7 14.1(4) . . . . ?
C3 Co1 P3 O7 13.6(3) . . . . ?
C3' Co1 P3 O7 82.0(4) . . . . ?
C5 Co1 P3 O7 91.8(2) . . . . ?
C2 Co1 P3 O7 22.2(2) . . . . ?
C4' Co1 P3 O7 43.0(10) . . . . ?
C1 Co1 P3 O7 58.8(2) . . . . ?
C5' Co1 P3 O7 103.0(4) . . . . ?
P1 Co1 P3 O7 -78.54(17) . . . . ?
C2' Co1 C4' C5' 80.8(3) . . . . ?
C4 Co1 C4' C5' -1.3(9) . . . . ?
C1' Co1 C4' C5' 119.0(2) . . . . ?
C3 Co1 C4' C5' 130.2(8) . . . . ?
C3' Co1 C4' C5' 37.17(16) . . . . ?
C5 Co1 C4' C5' 24.0(4) . . . . ?
C2 Co1 C4' C5' 103.7(3) . . . . ?
C1 Co1 C4' C5' 63.7(3) . . . . ?
P3 Co1 C4' C5' 80.1(13) . . . . ?
P1 Co1 C4' C5' -159.4(4) . . . . ?
C2' Co1 C4' C1' -38.15(16) . . . . ?
C4 Co1 C4' C1' -120.3(8) . . . . ?
C3 Co1 C4' C1' 11.2(9) . . . . ?
C3' Co1 C4' C1' -81.8(2) . . . . ?
C5 Co1 C4' C1' -95.0(3) . . . . ?
C2 Co1 C4' C1' -15.3(4) . . . . ?
C1 Co1 C4' C1' -55.3(3) . . . . ?
C5' Co1 C4' C1' -119.0(2) . . . . ?
P3 Co1 C4' C1' -38.9(13) . . . . ?
P1 Co1 C4' C1' 81.7(5) . . . . ?
C1' C4' C5' C3' 0.0 . . . . ?
Co1 C4' C5' C3' -59.2(4) . . . . ?
C1' C4' C5' Co1 59.2(4) . . . . ?
C2' Co1 C5' C4' -81.1(3) . . . . ?
C4 Co1 C5' C4' 1.6(11) . . . . ?
C1' Co1 C5' C4' -37.35(16) . . . . ?
C3 Co1 C5' C4' -21.4(4) . . . . ?
C3' Co1 C5' C4' -119.1(2) . . . . ?
C5 Co1 C5' C4' -129.0(7) . . . . ?
C2 Co1 C5' C4' -60.7(3) . . . . ?
C1 Co1 C5' C4' -101.2(3) . . . . ?
P3 Co1 C5' C4' -153.2(5) . . . . ?
P1 Co1 C5' C4' 28.9(5) . . . . ?
C2' Co1 C5' C3' 37.99(16) . . . . ?
C4 Co1 C5' C3' 120.7(10) . . . . ?
C1' Co1 C5' C3' 81.8(2) . . . . ?
C3 Co1 C5' C3' 97.7(3) . . . . ?
C5 Co1 C5' C3' -9.9(8) . . . . ?
C2 Co1 C5' C3' 58.4(3) . . . . ?
C4' Co1 C5' C3' 119.1(2) . . . . ?
C1 Co1 C5' C3' 17.9(4) . . . . ?
P3 Co1 C5' C3' -34.1(5) . . . . ?
P1 Co1 C5' C3' 148.0(6) . . . . ?
C4' C5' C3' C2' 0.0 . . . . ?
Co1 C5' C3' C2' -59.9(4) . . . . ?
C4' C5' C3' Co1 59.9(4) . . . . ?
C4 Co1 C3' C2' 98.3(4) . . . . ?
C1' Co1 C3' C2' 38.25(15) . . . . ?
C3 Co1 C3' C2' 56.2(3) . . . . ?
C5 Co1 C3' C2' 137.3(14) . . . . ?
C2 Co1 C3' C2' 12.8(4) . . . . ?
C4' Co1 C3' C2' 81.3(2) . . . . ?
C1 Co1 C3' C2' -24.4(8) . . . . ?
C5' Co1 C3' C2' 118.2(2) . . . . ?
P3 Co1 C3' C2' -85.7(5) . . . . ?
P1 Co1 C3' C2' 34.0(12) . . . . ?
C2' Co1 C3' C5' -118.2(2) . . . . ?
C4 Co1 C3' C5' -20.0(4) . . . . ?
C1' Co1 C3' C5' -80.0(2) . . . . ?
C3 Co1 C3' C5' -62.1(3) . . . . ?
C5 Co1 C3' C5' 19.1(15) . . . . ?
C2 Co1 C3' C5' -105.4(3) . . . . ?
C4' Co1 C3' C5' -36.91(15) . . . . ?
C1 Co1 C3' C5' -142.6(8) . . . . ?
P3 Co1 C3' C5' 156.1(4) . . . . ?
P1 Co1 C3' C5' -84.3(12) . . . . ?
C5' C3' C2' C1' 0.0 . . . . ?
Co1 C3' C2' C1' -61.7(4) . . . . ?
C5' C3' C2' Co1 61.7(4) . . . . ?
C4 Co1 C2' C1' 60.7(3) . . . . ?
C3 Co1 C2' C1' 15.3(4) . . . . ?
C3' Co1 C2' C1' 117.6(2) . . . . ?
C5 Co1 C2' C1' 105.7(4) . . . . ?
C2 Co1 C2' C1' -30.9(10) . . . . ?
C4' Co1 C2' C1' 37.60(16) . . . . ?
C1 Co1 C2' C1' 153.4(11) . . . . ?
C5' Co1 C2' C1' 80.2(2) . . . . ?
P3 Co1 C2' C1' -142.6(5) . . . . ?
P1 Co1 C2' C1' -48.0(5) . . . . ?
C4 Co1 C2' C3' -56.9(3) . . . . ?
C1' Co1 C2' C3' -117.6(2) . . . . ?
C3 Co1 C2' C3' -102.3(3) . . . . ?
C5 Co1 C2' C3' -11.9(4) . . . . ?
C2 Co1 C2' C3' -148.5(9) . . . . ?
C4' Co1 C2' C3' -80.0(2) . . . . ?
C1 Co1 C2' C3' 35.8(11) . . . . ?
C5' Co1 C2' C3' -37.40(15) . . . . ?
P3 Co1 C2' C3' 99.8(5) . . . . ?
P1 Co1 C2' C3' -165.6(5) . . . . ?
C3' C2' C1' C4' 0.0 . . . . ?
Co1 C2' C1' C4' -62.0(4) . . . . ?
C3' C2' C1' Co1 62.0(4) . . . . ?
C5' C4' C1' C2' 0.0 . . . . ?
Co1 C4' C1' C2' 60.4(4) . . . . ?
C5' C4' C1' Co1 -60.4(4) . . . . ?
C4 Co1 C1' C2' -95.0(3) . . . . ?
C3 Co1 C1' C2' -133.6(11) . . . . ?
C3' Co1 C1' C2' -38.15(15) . . . . ?
C5 Co1 C1' C2' -52.5(3) . . . . ?
C2 Co1 C1' C2' 27.5(9) . . . . ?
C4' Co1 C1' C2' -118.0(2) . . . . ?
C1 Co1 C1' C2' -9.7(4) . . . . ?
C5' Co1 C1' C2' -81.0(3) . . . . ?
P3 Co1 C1' C2' 47.5(5) . . . . ?
P1 Co1 C1' C2' 140.2(5) . . . . ?
C2' Co1 C1' C4' 118.0(2) . . . . ?
C4 Co1 C1' C4' 23.0(4) . . . . ?
C3 Co1 C1' C4' -15.6(11) . . . . ?
C3' Co1 C1' C4' 79.8(2) . . . . ?
C5 Co1 C1' C4' 65.5(3) . . . . ?
C2 Co1 C1' C4' 145.5(8) . . . . ?
C1 Co1 C1' C4' 108.3(3) . . . . ?
C5' Co1 C1' C4' 36.96(15) . . . . ?
P3 Co1 C1' C4' 165.5(5) . . . . ?
P1 Co1 C1' C4' -101.8(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.085
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.101
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1403111'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H92 Co2 N4 O22 P6 Tb2'
_chemical_formula_weight         1938.98

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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.5901(13)
_cell_length_b                   15.1586(12)
_cell_length_c                   17.8997(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.0690(10)
_cell_angle_gamma                90.00
_cell_volume                     4366.4(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    7520
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.10

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1956
_exptl_absorpt_coefficient_mu    2.149
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5845
_exptl_absorpt_correction_T_max  0.6493
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31840
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.78
_diffrn_reflns_theta_max         25.01
_reflns_number_total             7650
_reflns_number_gt                6294
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.163 0.195 0.869 179 38 ' '
2 0.623 0.099 0.702 29 2 ' '
3 0.715 0.097 0.949 13 1 ' '
4 0.163 0.305 0.369 179 38 ' '
5 0.623 0.401 0.202 29 2 ' '
6 0.715 0.403 0.449 13 1 ' '
7 0.377 0.599 0.798 29 2 ' '
8 0.836 0.695 0.631 179 38 ' '
9 0.285 0.597 0.551 13 1 ' '
10 0.837 0.805 0.131 179 38 ' '
11 0.377 0.901 0.298 29 2 ' '
12 0.285 0.903 0.051 13 1 ' '
_platon_squeeze_details          
;
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0444P)²+4.6209P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7650
_refine_ls_number_parameters     505
_refine_ls_number_restraints     68
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0342
_refine_ls_wR_factor_ref         0.0901
_refine_ls_wR_factor_gt          0.0861
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.062
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4809(8) 0.7186(8) 0.1567(6) 0.030(3) Uani 0.579(15) 1 d PU A 1
H1A H 0.4944 0.7504 0.2058 0.036 Uiso 0.579(15) 1 calc PR A 1
C2 C 0.4209(6) 0.7447(7) 0.0900(8) 0.030(3) Uani 0.579(15) 1 d PU A 1
H2A H 0.3859 0.7976 0.0842 0.036 Uiso 0.579(15) 1 calc PR A 1
C3 C 0.4238(6) 0.6802(7) 0.0309(6) 0.025(2) Uani 0.579(15) 1 d PU A 1
H3A H 0.3888 0.6807 -0.0218 0.031 Uiso 0.579(15) 1 calc PR A 1
C4 C 0.4851(6) 0.6147(7) 0.0624(6) 0.028(3) Uani 0.579(15) 1 d PU A 1
H4A H 0.4992 0.5629 0.0354 0.033 Uiso 0.579(15) 1 calc PR A 1
C5 C 0.5189(8) 0.6368(9) 0.1410(8) 0.031(3) Uani 0.579(15) 1 d PU A 1
H5A H 0.5624 0.6042 0.1773 0.037 Uiso 0.579(15) 1 calc PR A 1
C6 C 0.1504(4) 0.6525(5) -0.0248(3) 0.070(2) Uani 1 1 d . . .
H6A H 0.1100 0.6609 0.0056 0.084 Uiso 1 1 calc R . .
H6B H 0.1545 0.5895 -0.0327 0.084 Uiso 1 1 calc R . .
C7 C 0.1184(5) 0.6908(6) -0.0965(5) 0.112(4) Uani 1 1 d . . .
H7A H 0.0977 0.7486 -0.0897 0.168 Uiso 1 1 calc R . .
H7B H 0.0740 0.6550 -0.1255 0.168 Uiso 1 1 calc R . .
H7C H 0.1615 0.6952 -0.1237 0.168 Uiso 1 1 calc R . .
C8 C 0.1845(4) 0.7920(4) 0.1514(5) 0.070(2) Uani 1 1 d . . .
H8A H 0.1595 0.7545 0.1835 0.083 Uiso 1 1 calc R . .
H8B H 0.1472 0.7942 0.1004 0.083 Uiso 1 1 calc R . .
C9 C 0.1956(5) 0.8797(5) 0.1836(5) 0.085(3) Uani 1 1 d . . .
H9A H 0.2449 0.8813 0.2249 0.128 Uiso 1 1 calc R . .
H9B H 0.1484 0.8952 0.2029 0.128 Uiso 1 1 calc R . .
H9C H 0.2011 0.9209 0.1444 0.128 Uiso 1 1 calc R . .
C10 C 0.2883(3) 0.4328(4) -0.0570(3) 0.0410(13) Uani 1 1 d . . .
H10A H 0.2422 0.4129 -0.0369 0.049 Uiso 1 1 d R A .
H10B H 0.3250 0.3830 -0.0574 0.049 Uiso 1 1 d R . .
C11 C 0.2583(5) 0.4671(5) -0.1356(4) 0.068(2) Uani 1 1 d . . .
H11A H 0.2145 0.5088 -0.1364 0.102 Uiso 1 1 d R . .
H11B H 0.2373 0.4190 -0.1697 0.102 Uiso 1 1 d R . .
H11C H 0.3027 0.4955 -0.1520 0.102 Uiso 1 1 d R . .
C12 C 0.4490(4) 0.3520(5) 0.1427(3) 0.0589(18) Uani 1 1 d . A .
H12A H 0.4164 0.3566 0.1807 0.071 Uiso 1 1 calc R . .
H12B H 0.5070 0.3463 0.1696 0.071 Uiso 1 1 calc R . .
C13 C 0.4227(4) 0.2730(4) 0.0940(4) 0.0510(15) Uani 1 1 d . . .
H13A H 0.3641 0.2761 0.0712 0.076 Uiso 1 1 calc R . .
H13B H 0.4346 0.2209 0.1253 0.076 Uiso 1 1 calc R . .
H13C H 0.4523 0.2708 0.0542 0.076 Uiso 1 1 calc R . .
C14 C 0.5088(5) 0.4700(6) 0.3278(4) 0.083 Uani 1 1 d D A .
H14A H 0.5543 0.4380 0.3149 0.099 Uiso 1 1 calc R . .
H14B H 0.4613 0.4308 0.3197 0.099 Uiso 1 1 calc R . .
C15 C 0.5326(6) 0.4959(6) 0.4076(4) 0.092(3) Uani 1 1 d D . .
H15A H 0.5740 0.5414 0.4143 0.138 Uiso 1 1 calc R . .
H15B H 0.5549 0.4459 0.4388 0.138 Uiso 1 1 calc R . .
H15C H 0.4848 0.5177 0.4231 0.138 Uiso 1 1 calc R . .
C16 C 0.3373(6) 0.6875(6) 0.3351(4) 0.098 Uani 1 1 d D A .
H16A H 0.2838 0.6829 0.2983 0.118 Uiso 1 1 calc R . .
H16B H 0.3462 0.7496 0.3473 0.118 Uiso 1 1 calc R . .
C17 C 0.3290(6) 0.6454(6) 0.4030(5) 0.101 Uani 1 1 d DU . .
H17A H 0.3187 0.5836 0.3931 0.152 Uiso 1 1 calc R . .
H17B H 0.2833 0.6710 0.4195 0.152 Uiso 1 1 calc R . .
H17C H 0.3792 0.6529 0.4426 0.152 Uiso 1 1 calc R . .
C18 C 0.0108(3) 0.5334(3) 0.2045(2) 0.0229(9) Uani 1 1 d . . .
H18 H -0.0431 0.5500 0.1799 0.028 Uiso 1 1 calc R . .
C19 C 0.0343(3) 0.5413(3) 0.2872(3) 0.0256(10) Uani 1 1 d . . .
C20 C -0.0268(3) 0.5720(4) 0.3232(3) 0.0393(13) Uani 1 1 d . . .
H20 H -0.0790 0.5871 0.2932 0.047 Uiso 1 1 calc R . .
C21 C -0.0109(4) 0.5801(4) 0.4019(3) 0.0472(15) Uani 1 1 d . . .
H21 H -0.0516 0.6009 0.4252 0.057 Uiso 1 1 calc R . .
C22 C 0.0680(4) 0.5563(4) 0.4467(3) 0.0442(14) Uani 1 1 d . . .
H22 H 0.0794 0.5609 0.5000 0.053 Uiso 1 1 calc R . .
C23 C 0.1275(3) 0.5268(3) 0.4130(3) 0.0346(12) Uani 1 1 d . . .
H23 H 0.1792 0.5116 0.4440 0.042 Uiso 1 1 calc R . .
C24 C 0.1140(3) 0.5182(3) 0.3329(3) 0.0262(10) Uani 1 1 d . A .
C25 C 0.1294(3) 0.3046(3) 0.0610(3) 0.0233(10) Uani 1 1 d . . .
H25 H 0.0964 0.2877 0.0133 0.028 Uiso 1 1 calc R . .
C26 C 0.1891(3) 0.2414(3) 0.1011(2) 0.0224(9) Uani 1 1 d . . .
C27 C 0.2004(3) 0.1639(3) 0.0609(3) 0.0284(10) Uani 1 1 d . . .
H27 H 0.1714 0.1580 0.0097 0.034 Uiso 1 1 calc R . .
C28 C 0.2521(3) 0.0973(3) 0.0944(3) 0.0352(12) Uani 1 1 d . . .
H28 H 0.2586 0.0471 0.0666 0.042 Uiso 1 1 calc R . .
C29 C 0.2952(3) 0.1066(3) 0.1715(3) 0.0348(12) Uani 1 1 d . . .
H29 H 0.3305 0.0619 0.1955 0.042 Uiso 1 1 calc R . .
C30 C 0.2857(3) 0.1813(3) 0.2122(3) 0.0290(11) Uani 1 1 d . . .
H30 H 0.3140 0.1852 0.2637 0.035 Uiso 1 1 calc R . .
C31 C 0.2349(3) 0.2513(3) 0.1788(2) 0.0227(10) Uani 1 1 d . A .
C32 C 0.0256(2) 0.5049(3) 0.0802(2) 0.0214(9) Uani 1 1 d . . .
C33 C 0.0575(2) 0.4394(3) 0.0395(2) 0.0199(9) Uani 1 1 d . . .
C34 C 0.0318(3) 0.4353(3) -0.0402(3) 0.0225(9) Uani 1 1 d . . .
H34 H 0.0533 0.3922 -0.0669 0.027 Uiso 1 1 calc R . .
Co1 Co 0.39222(4) 0.62124(4) 0.12652(4) 0.02680(15) Uani 1 1 d . . .
N1 N 0.0575(2) 0.5054(2) 0.1614(2) 0.0209(8) Uani 1 1 d . . .
N2 N 0.1176(2) 0.3820(2) 0.0849(2) 0.0210(8) Uani 1 1 d . . .
O1 O 0.2256(2) 0.6803(3) 0.0185(2) 0.0621(13) Uani 1 1 d . . .
O2 O 0.2615(2) 0.7557(2) 0.1463(3) 0.0567(12) Uani 1 1 d . . .
O3 O 0.20364(18) 0.6011(2) 0.13518(19) 0.0300(7) Uani 1 1 d . . .
O4 O 0.3264(5) 0.5063(6) -0.0114(5) 0.0334(18) Uani 0.70 1 d P A .
O5 O 0.4376(2) 0.4307(3) 0.0953(3) 0.0612(13) Uani 1 1 d . . .
O6 O 0.2905(2) 0.4406(2) 0.10720(19) 0.0311(8) Uani 1 1 d . . .
O7 O 0.4885(2) 0.5438(4) 0.2790(3) 0.077 Uani 1 1 d . . .
O8 O 0.3969(3) 0.6626(3) 0.2967(3) 0.0775(16) Uani 1 1 d . . .
O9 O 0.3355(2) 0.5146(2) 0.25909(18) 0.0364(8) Uani 1 1 d . . .
O10 O 0.17342(19) 0.4895(2) 0.30269(18) 0.0300(7) Uani 1 1 d . . .
O11 O 0.22908(18) 0.32134(19) 0.22017(17) 0.0247(7) Uani 1 1 d . . .
P1 P 0.26329(8) 0.65968(8) 0.10715(8) 0.0327(3) Uani 1 1 d . . .
P2 P 0.35762(8) 0.49053(9) 0.08259(8) 0.0302(3) Uani 1 1 d . A .
P3 P 0.39731(8) 0.58052(10) 0.24322(7) 0.0346(3) Uani 1 1 d . A .
Tb1 Tb 0.207169(12) 0.464706(13) 0.192620(11) 0.01886(8) Uani 1 1 d . A .
C2' C 0.4443(10) 0.7497(10) 0.1392(11) 0.042(4) Uani 0.421(15) 1 d PU A 2
H2'A H 0.4269 0.8018 0.1637 0.051 Uiso 0.421(15) 1 calc PR A 2
C1' C 0.5041(8) 0.6870(11) 0.1704(8) 0.031(4) Uani 0.421(15) 1 d PU A 2
H1'A H 0.5349 0.6855 0.2246 0.037 Uiso 0.421(15) 1 calc PR A 2
C3' C 0.4180(9) 0.7209(12) 0.0599(11) 0.041(4) Uani 0.421(15) 1 d PU A 2
H3'A H 0.3773 0.7512 0.0191 0.049 Uiso 0.421(15) 1 calc PR A 2
C4' C 0.4610(11) 0.6463(12) 0.0503(9) 0.037(4) Uani 0.421(15) 1 d PU A 2
H4'A H 0.4563 0.6152 0.0014 0.044 Uiso 0.421(15) 1 calc PR A 2
C5' C 0.5136(11) 0.6263(13) 0.1159(13) 0.045(5) Uani 0.421(15) 1 d PU A 2
H5'A H 0.5531 0.5771 0.1243 0.054 Uiso 0.421(15) 1 calc PR A 2
O4' O 0.3549(12) 0.4760(14) -0.0015(12) 0.041(5) Uani 0.30 1 d P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.412(16) . ?
C1 C5 1.449(17) . ?
C1 Co1 2.061(10) . ?
C1 H1A 0.9800 . ?
C2 C3 1.450(14) . ?
C2 Co1 2.075(10) . ?
C2 H2A 0.9800 . ?
C3 C4 1.435(13) . ?
C3 Co1 2.106(9) . ?
C3 H3A 0.9800 . ?
C4 C5 1.421(15) . ?
C4 Co1 2.135(10) . ?
C4 H4A 0.9800 . ?
C5 Co1 2.067(12) . ?
C5 H5A 0.9800 . ?
C6 O1 1.366(7) . ?
C6 C7 1.390(9) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O2 1.413(7) . ?
C8 C9 1.443(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O4 1.435(11) . ?
C10 O4' 1.45(2) . ?
C10 C11 1.469(8) . ?
C10 H10A 0.9701 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9599 . ?
C12 O5 1.449(8) . ?
C12 C13 1.482(8) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O7 1.409(9) . ?
C14 C15 1.442(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O8 1.387(9) . ?
C16 C17 1.408(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N1 1.291(6) . ?
C18 C19 1.440(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.406(6) . ?
C19 C24 1.420(6) . ?
C20 C21 1.374(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.405(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.353(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.402(7) . ?
C23 H23 0.9300 . ?
C24 O10 1.308(5) . ?
C25 N2 1.280(6) . ?
C25 C26 1.437(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.414(6) . ?
C26 C31 1.422(6) . ?
C27 C28 1.366(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.399(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.376(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.396(6) . ?
C30 H30 0.9300 . ?
C31 O11 1.311(5) . ?
C32 C34 1.381(6) 3_565 ?
C32 C33 1.408(6) . ?
C32 N1 1.422(5) . ?
C33 C34 1.388(6) . ?
C33 N2 1.420(5) . ?
C34 C32 1.381(6) 3_565 ?
C34 H34 0.9300 . ?
Co1 C4' 2.017(13) . ?
Co1 C3' 2.034(13) . ?
Co1 C5' 2.070(17) . ?
Co1 C1' 2.085(11) . ?
Co1 C2' 2.121(14) . ?
Co1 P2 2.1573(15) . ?
Co1 P3 2.1600(14) . ?
N1 Tb1 2.486(3) . ?
N2 Tb1 2.472(3) . ?
O1 P1 1.588(4) . ?
O2 P1 1.619(4) . ?
O3 P1 1.504(3) . ?
O3 Tb1 2.303(3) . ?
O4 O4' 0.653(17) . ?
O4 P2 1.653(9) . ?
O5 P2 1.577(4) . ?
O6 P2 1.499(3) . ?
O6 Tb1 2.326(3) . ?
O7 P3 1.593(4) . ?
O8 P3 1.570(4) . ?
O9 P3 1.507(3) . ?
O9 Tb1 2.300(3) . ?
O10 Tb1 2.207(3) . ?
O11 Tb1 2.238(3) . ?
P2 O4' 1.51(2) . ?
C2' C1' 1.39(2) . ?
C2' C3' 1.45(2) . ?
C2' H2'A 0.9800 . ?
C1' C5' 1.38(2) . ?
C1' H1'A 0.9800 . ?
C3' C4' 1.37(2) . ?
C3' H3'A 0.9800 . ?
C4' C5' 1.32(3) . ?
C4' H4'A 0.9800 . ?
C5' H5'A 0.9800 . ?

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
C2 C1 C5 109.0(9) . . ?
C2 C1 Co1 70.6(6) . . ?
C5 C1 Co1 69.7(6) . . ?
C2 C1 H1A 125.5 . . ?
C5 C1 H1A 125.5 . . ?
Co1 C1 H1A 125.5 . . ?
C1 C2 C3 106.6(9) . . ?
C1 C2 Co1 69.5(6) . . ?
C3 C2 Co1 70.9(5) . . ?
C1 C2 H2A 126.7 . . ?
C3 C2 H2A 126.7 . . ?
Co1 C2 H2A 126.7 . . ?
C4 C3 C2 109.0(8) . . ?
C4 C3 Co1 71.3(5) . . ?
C2 C3 Co1 68.6(5) . . ?
C4 C3 H3A 125.5 . . ?
C2 C3 H3A 125.5 . . ?
Co1 C3 H3A 125.5 . . ?
C3 C4 C5 107.3(9) . . ?
C3 C4 Co1 69.1(5) . . ?
C5 C4 Co1 67.7(6) . . ?
C3 C4 H4A 126.3 . . ?
C5 C4 H4A 126.3 . . ?
Co1 C4 H4A 126.3 . . ?
C4 C5 C1 108.0(10) . . ?
C4 C5 Co1 72.8(6) . . ?
C1 C5 Co1 69.2(6) . . ?
C4 C5 H5A 126.0 . . ?
C1 C5 H5A 126.0 . . ?
Co1 C5 H5A 126.0 . . ?
O1 C6 C7 119.1(6) . . ?
O1 C6 H6A 107.5 . . ?
C7 C6 H6A 107.5 . . ?
O1 C6 H6B 107.5 . . ?
C7 C6 H6B 107.5 . . ?
H6A C6 H6B 107.0 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 110.7(6) . . ?
O2 C8 H8A 109.5 . . ?
C9 C8 H8A 109.5 . . ?
O2 C8 H8B 109.5 . . ?
C9 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 O4' 26.2(7) . . ?
O4 C10 C11 105.6(6) . . ?
O4' C10 C11 121.4(10) . . ?
O4 C10 H10A 108.0 . . ?
O4' C10 H10A 115.1 . . ?
C11 C10 H10A 110.6 . . ?
O4 C10 H10B 114.7 . . ?
O4' C10 H10B 88.9 . . ?
C11 C10 H10B 109.6 . . ?
H10A C10 H10B 108.3 . . ?
C10 C11 H11A 109.1 . . ?
C10 C11 H11B 109.0 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 110.2 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 110.1(5) . . ?
O5 C12 H12A 109.6 . . ?
C13 C12 H12A 109.6 . . ?
O5 C12 H12B 109.6 . . ?
C13 C12 H12B 109.6 . . ?
H12A C12 H12B 108.2 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 111.4(7) . . ?
O7 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
O7 C14 H14B 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 122.4(9) . . ?
O8 C16 H16A 106.7 . . ?
C17 C16 H16A 106.7 . . ?
O8 C16 H16B 106.7 . . ?
C17 C16 H16B 106.7 . . ?
H16A C16 H16B 106.6 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 C19 126.1(4) . . ?
N1 C18 H18 116.9 . . ?
C19 C18 H18 116.9 . . ?
C20 C19 C24 119.4(4) . . ?
C20 C19 C18 117.0(4) . . ?
C24 C19 C18 123.5(4) . . ?
C21 C20 C19 121.3(5) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C20 C21 C22 118.8(5) . . ?
C20 C21 H21 120.6 . . ?
C22 C21 H21 120.6 . . ?
C23 C22 C21 120.7(5) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 122.2(5) . . ?
C22 C23 H23 118.9 . . ?
C24 C23 H23 118.9 . . ?
O10 C24 C23 120.2(4) . . ?
O10 C24 C19 122.3(4) . . ?
C23 C24 C19 117.5(4) . . ?
N2 C25 C26 125.9(4) . . ?
N2 C25 H25 117.0 . . ?
C26 C25 H25 117.0 . . ?
C27 C26 C31 118.7(4) . . ?
C27 C26 C25 117.4(4) . . ?
C31 C26 C25 123.9(4) . . ?
C28 C27 C26 122.6(4) . . ?
C28 C27 H27 118.7 . . ?
C26 C27 H27 118.7 . . ?
C27 C28 C29 118.3(5) . . ?
C27 C28 H28 120.8 . . ?
C29 C28 H28 120.8 . . ?
C30 C29 C28 120.5(4) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C29 C30 C31 122.3(4) . . ?
C29 C30 H30 118.9 . . ?
C31 C30 H30 118.9 . . ?
O11 C31 C30 119.6(4) . . ?
O11 C31 C26 122.9(4) . . ?
C30 C31 C26 117.5(4) . . ?
C34 C32 C33 119.6(4) 3_565 . ?
C34 C32 N1 124.3(4) 3_565 . ?
C33 C32 N1 116.1(4) . . ?
C34 C33 C32 120.2(4) . . ?
C34 C33 N2 123.9(4) . . ?
C32 C33 N2 115.9(4) . . ?
C32 C34 C33 120.2(4) 3_565 . ?
C32 C34 H34 119.9 3_565 . ?
C33 C34 H34 119.9 . . ?
C4' Co1 C3' 39.5(7) . . ?
C4' Co1 C1 63.7(5) . . ?
C3' Co1 C1 51.9(6) . . ?
C4' Co1 C5' 37.6(7) . . ?
C3' Co1 C5' 64.5(7) . . ?
C1 Co1 C5' 49.4(6) . . ?
C4' Co1 C5 48.5(6) . . ?
C3' Co1 C5 68.6(5) . . ?
C1 Co1 C5 41.1(5) . . ?
C5' Co1 C5 12.9(6) . . ?
C4' Co1 C2 53.6(6) . . ?
C3' Co1 C2 17.9(5) . . ?
C1 Co1 C2 39.9(4) . . ?
C5' Co1 C2 68.6(6) . . ?
C5 Co1 C2 68.4(5) . . ?
C4' Co1 C1' 64.3(6) . . ?
C3' Co1 C1' 64.6(6) . . ?
C1 Co1 C1' 17.4(4) . . ?
C5' Co1 C1' 38.7(7) . . ?
C5 Co1 C1' 27.6(4) . . ?
C2 Co1 C1' 55.7(5) . . ?
C4' Co1 C3 22.6(5) . . ?
C3' Co1 C3 22.9(5) . . ?
C1 Co1 C3 66.9(4) . . ?
C5' Co1 C3 58.0(6) . . ?
C5 Co1 C3 66.9(4) . . ?
C2 Co1 C3 40.6(4) . . ?
C1' Co1 C3 74.3(4) . . ?
C4' Co1 C2' 67.4(6) . . ?
C3' Co1 C2' 40.7(6) . . ?
C1 Co1 C2' 21.2(4) . . ?
C5' Co1 C2' 66.1(7) . . ?
C5 Co1 C2' 60.4(5) . . ?
C2 Co1 C2' 24.0(4) . . ?
C1' Co1 C2' 38.6(6) . . ?
C3 Co1 C2' 61.4(5) . . ?
C4' Co1 C4 17.1(5) . . ?
C3' Co1 C4 55.7(6) . . ?
C1 Co1 C4 67.2(4) . . ?
C5' Co1 C4 26.8(5) . . ?
C5 Co1 C4 39.5(4) . . ?
C2 Co1 C4 67.8(4) . . ?
C1' Co1 C4 62.1(5) . . ?
C3 Co1 C4 39.6(4) . . ?
C2' Co1 C4 76.8(5) . . ?
C4' Co1 P2 94.0(4) . . ?
C3' Co1 P2 123.0(6) . . ?
C1 Co1 P2 149.7(4) . . ?
C5' Co1 P2 100.3(6) . . ?
C5 Co1 P2 108.8(4) . . ?
C2 Co1 P2 140.8(4) . . ?
C1' Co1 P2 135.3(5) . . ?
C3 Co1 P2 101.0(3) . . ?
C2' Co1 P2 161.4(4) . . ?
C4 Co1 P2 85.7(3) . . ?
C4' Co1 P3 144.4(6) . . ?
C3' Co1 P3 144.6(6) . . ?
C1 Co1 P3 95.4(3) . . ?
C5' Co1 P3 106.8(6) . . ?
C5 Co1 P3 96.4(4) . . ?
C2 Co1 P3 127.1(4) . . ?
C1' Co1 P3 87.1(4) . . ?
C3 Co1 P3 161.4(3) . . ?
C2' Co1 P3 103.9(5) . . ?
C4 Co1 P3 130.0(3) . . ?
P2 Co1 P3 91.97(6) . . ?
C18 N1 C32 119.0(4) . . ?
C18 N1 Tb1 131.2(3) . . ?
C32 N1 Tb1 109.4(2) . . ?
C25 N2 C33 121.0(4) . . ?
C25 N2 Tb1 127.9(3) . . ?
C33 N2 Tb1 109.9(3) . . ?
C6 O1 P1 126.2(4) . . ?
C8 O2 P1 119.3(4) . . ?
P1 O3 Tb1 137.02(18) . . ?
O4' O4 C10 78(3) . . ?
O4' O4 P2 66(2) . . ?
C10 O4 P2 116.9(6) . . ?
C12 O5 P2 122.9(4) . . ?
P2 O6 Tb1 135.76(19) . . ?
C14 O7 P3 125.9(4) . . ?
C16 O8 P3 128.9(5) . . ?
P3 O9 Tb1 135.00(19) . . ?
C24 O10 Tb1 143.6(3) . . ?
C31 O11 Tb1 133.8(3) . . ?
O3 P1 O1 108.57(19) . . ?
O3 P1 O2 107.7(2) . . ?
O1 P1 O2 102.2(3) . . ?
O3 P1 Co1 119.54(13) . . ?
O1 P1 Co1 110.31(17) . . ?
O2 P1 Co1 107.13(15) . . ?
O6 P2 O4' 112.0(8) . . ?
O6 P2 O5 109.0(2) . . ?
O4' P2 O5 83.1(7) . . ?
O6 P2 O4 107.5(4) . . ?
O4' P2 O4 23.3(7) . . ?
O5 P2 O4 105.9(3) . . ?
O6 P2 Co1 120.52(14) . . ?
O4' P2 Co1 116.0(8) . . ?
O5 P2 Co1 109.64(17) . . ?
O4 P2 Co1 103.2(3) . . ?
O9 P3 O8 107.8(2) . . ?
O9 P3 O7 108.4(2) . . ?
O8 P3 O7 100.1(3) . . ?
O9 P3 Co1 120.21(14) . . ?
O8 P3 Co1 111.0(2) . . ?
O7 P3 Co1 107.38(18) . . ?
O10 Tb1 O11 91.82(12) . . ?
O10 Tb1 O9 83.45(12) . . ?
O11 Tb1 O9 97.18(12) . . ?
O10 Tb1 O3 105.12(12) . . ?
O11 Tb1 O3 162.72(11) . . ?
O9 Tb1 O3 81.70(11) . . ?
O10 Tb1 O6 159.03(12) . . ?
O11 Tb1 O6 84.34(11) . . ?
O9 Tb1 O6 76.62(12) . . ?
O3 Tb1 O6 78.61(11) . . ?
O10 Tb1 N2 123.24(12) . . ?
O11 Tb1 N2 73.38(11) . . ?
O9 Tb1 N2 151.18(12) . . ?
O3 Tb1 N2 99.32(12) . . ?
O6 Tb1 N2 75.39(11) . . ?
O10 Tb1 N1 72.67(11) . . ?
O11 Tb1 N1 112.96(11) . . ?
O9 Tb1 N1 141.53(13) . . ?
O3 Tb1 N1 76.20(11) . . ?
O6 Tb1 N1 127.72(12) . . ?
N2 Tb1 N1 64.68(11) . . ?
C1' C2' C3' 101.8(12) . . ?
C1' C2' Co1 69.3(7) . . ?
C3' C2' Co1 66.4(7) . . ?
C1' C2' H2'A 129.1 . . ?
C3' C2' H2'A 129.1 . . ?
Co1 C2' H2'A 129.1 . . ?
C5' C1' C2' 111.4(14) . . ?
C5' C1' Co1 70.0(8) . . ?
C2' C1' Co1 72.1(7) . . ?
C5' C1' H1'A 124.3 . . ?
C2' C1' H1'A 124.3 . . ?
Co1 C1' H1'A 124.3 . . ?
C4' C3' C2' 109.3(14) . . ?
C4' C3' Co1 69.5(8) . . ?
C2' C3' Co1 72.9(8) . . ?
C4' C3' H3'A 125.4 . . ?
C2' C3' H3'A 125.4 . . ?
Co1 C3' H3'A 125.4 . . ?
C5' C4' C3' 109.3(16) . . ?
C5' C4' Co1 73.4(9) . . ?
C3' C4' Co1 70.9(8) . . ?
C5' C4' H4'A 125.3 . . ?
C3' C4' H4'A 125.3 . . ?
Co1 C4' H4'A 125.3 . . ?
C4' C5' C1' 108.3(17) . . ?
C4' C5' Co1 69.0(9) . . ?
C1' C5' Co1 71.2(8) . . ?
C4' C5' H5'A 125.9 . . ?
C1' C5' H5'A 125.9 . . ?
Co1 C5' H5'A 125.9 . . ?
O4 O4' C10 76(2) . . ?
O4 O4' P2 91(3) . . ?
C10 O4' P2 125.5(15) . . ?

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
C5 C1 C2 C3 -2.2(11) . . . . ?
Co1 C1 C2 C3 -61.5(6) . . . . ?
C5 C1 C2 Co1 59.3(8) . . . . ?
C1 C2 C3 C4 0.6(11) . . . . ?
Co1 C2 C3 C4 -60.1(6) . . . . ?
C1 C2 C3 Co1 60.6(7) . . . . ?
C2 C3 C4 C5 1.3(11) . . . . ?
Co1 C3 C4 C5 -57.0(7) . . . . ?
C2 C3 C4 Co1 58.4(6) . . . . ?
C3 C4 C5 C1 -2.7(11) . . . . ?
Co1 C4 C5 C1 -60.6(7) . . . . ?
C3 C4 C5 Co1 57.9(7) . . . . ?
C2 C1 C5 C4 3.1(12) . . . . ?
Co1 C1 C5 C4 62.9(8) . . . . ?
C2 C1 C5 Co1 -59.8(7) . . . . ?
N1 C18 C19 C20 -178.9(5) . . . . ?
N1 C18 C19 C24 -0.3(7) . . . . ?
C24 C19 C20 C21 0.0(8) . . . . ?
C18 C19 C20 C21 178.7(5) . . . . ?
C19 C20 C21 C22 -0.6(9) . . . . ?
C20 C21 C22 C23 0.6(9) . . . . ?
C21 C22 C23 C24 -0.1(9) . . . . ?
C22 C23 C24 O10 179.9(5) . . . . ?
C22 C23 C24 C19 -0.5(8) . . . . ?
C20 C19 C24 O10 -179.8(4) . . . . ?
C18 C19 C24 O10 1.6(7) . . . . ?
C20 C19 C24 C23 0.5(7) . . . . ?
C18 C19 C24 C23 -178.1(4) . . . . ?
N2 C25 C26 C27 -172.0(4) . . . . ?
N2 C25 C26 C31 10.1(7) . . . . ?
C31 C26 C27 C28 1.5(7) . . . . ?
C25 C26 C27 C28 -176.6(4) . . . . ?
C26 C27 C28 C29 0.2(8) . . . . ?
C27 C28 C29 C30 -0.3(8) . . . . ?
C28 C29 C30 C31 -1.4(8) . . . . ?
C29 C30 C31 O11 -179.2(4) . . . . ?
C29 C30 C31 C26 3.1(7) . . . . ?
C27 C26 C31 O11 179.3(4) . . . . ?
C25 C26 C31 O11 -2.8(7) . . . . ?
C27 C26 C31 C30 -3.1(6) . . . . ?
C25 C26 C31 C30 174.8(4) . . . . ?
C34 C32 C33 C34 0.3(7) 3_565 . . . ?
N1 C32 C33 C34 -178.2(4) . . . . ?
C34 C32 C33 N2 178.6(4) 3_565 . . . ?
N1 C32 C33 N2 0.1(6) . . . . ?
C32 C33 C34 C32 -0.3(7) . . . 3_565 ?
N2 C33 C34 C32 -178.5(4) . . . 3_565 ?
C2 C1 Co1 C4' 63.8(8) . . . . ?
C5 C1 Co1 C4' -56.1(8) . . . . ?
C2 C1 Co1 C3' 18.7(7) . . . . ?
C5 C1 Co1 C3' -101.2(10) . . . . ?
C2 C1 Co1 C5' 106.0(10) . . . . ?
C5 C1 Co1 C5' -14.0(9) . . . . ?
C2 C1 Co1 C5 119.9(9) . . . . ?
C5 C1 Co1 C2 -119.9(9) . . . . ?
C2 C1 Co1 C1' 152(2) . . . . ?
C5 C1 Co1 C1' 31.6(17) . . . . ?
C2 C1 Co1 C3 39.1(6) . . . . ?
C5 C1 Co1 C3 -80.8(7) . . . . ?
C2 C1 Co1 C2' -31.3(14) . . . . ?
C5 C1 Co1 C2' -151.2(18) . . . . ?
C2 C1 Co1 C4 82.2(7) . . . . ?
C5 C1 Co1 C4 -37.7(6) . . . . ?
C2 C1 Co1 P2 110.4(10) . . . . ?
C5 C1 Co1 P2 -9.6(12) . . . . ?
C2 C1 Co1 P3 -146.4(7) . . . . ?
C5 C1 Co1 P3 93.7(7) . . . . ?
C4 C5 Co1 C4' -21.0(7) . . . . ?
C1 C5 Co1 C4' 96.6(9) . . . . ?
C4 C5 Co1 C3' -61.6(8) . . . . ?
C1 C5 Co1 C3' 56.0(9) . . . . ?
C4 C5 Co1 C1 -117.6(9) . . . . ?
C4 C5 Co1 C5' 7(3) . . . . ?
C1 C5 Co1 C5' 125(4) . . . . ?
C4 C5 Co1 C2 -80.9(7) . . . . ?
C1 C5 Co1 C2 36.7(6) . . . . ?
C4 C5 Co1 C1' -137.3(14) . . . . ?
C1 C5 Co1 C1' -19.7(11) . . . . ?
C4 C5 Co1 C3 -36.8(6) . . . . ?
C1 C5 Co1 C3 80.7(7) . . . . ?
C4 C5 Co1 C2' -106.0(8) . . . . ?
C1 C5 Co1 C2' 11.6(7) . . . . ?
C1 C5 Co1 C4 117.6(9) . . . . ?
C4 C5 Co1 P2 57.3(7) . . . . ?
C1 C5 Co1 P2 174.9(6) . . . . ?
C4 C5 Co1 P3 151.6(6) . . . . ?
C1 C5 Co1 P3 -90.8(7) . . . . ?
C1 C2 Co1 C4' -91.4(9) . . . . ?
C3 C2 Co1 C4' 25.6(6) . . . . ?
C1 C2 Co1 C3' -125(2) . . . . ?
C3 C2 Co1 C3' -7.9(18) . . . . ?
C3 C2 Co1 C1 117.0(8) . . . . ?
C1 C2 Co1 C5' -51.6(8) . . . . ?
C3 C2 Co1 C5' 65.3(8) . . . . ?
C1 C2 Co1 C5 -37.8(7) . . . . ?
C3 C2 Co1 C5 79.2(6) . . . . ?
C1 C2 Co1 C1' -9.9(8) . . . . ?
C3 C2 Co1 C1' 107.0(8) . . . . ?
C1 C2 Co1 C3 -117.0(8) . . . . ?
C1 C2 Co1 C2' 27.5(12) . . . . ?
C3 C2 Co1 C2' 144.5(15) . . . . ?
C1 C2 Co1 C4 -80.5(7) . . . . ?
C3 C2 Co1 C4 36.5(5) . . . . ?
C1 C2 Co1 P2 -131.5(7) . . . . ?
C3 C2 Co1 P2 -14.5(8) . . . . ?
C1 C2 Co1 P3 43.7(8) . . . . ?
C3 C2 Co1 P3 160.7(5) . . . . ?
C4 C3 Co1 C4' 4.7(13) . . . . ?
C2 C3 Co1 C4' -115.4(14) . . . . ?
C4 C3 Co1 C3' 126.4(16) . . . . ?
C2 C3 Co1 C3' 6.2(14) . . . . ?
C4 C3 Co1 C1 81.7(6) . . . . ?
C2 C3 Co1 C1 -38.5(6) . . . . ?
C4 C3 Co1 C5' 26.3(7) . . . . ?
C2 C3 Co1 C5' -93.9(8) . . . . ?
C4 C3 Co1 C5 36.8(6) . . . . ?
C2 C3 Co1 C5 -83.3(7) . . . . ?
C4 C3 Co1 C2 120.1(8) . . . . ?
C4 C3 Co1 C1' 65.0(7) . . . . ?
C2 C3 Co1 C1' -55.1(7) . . . . ?
C4 C3 Co1 C2' 104.5(7) . . . . ?
C2 C3 Co1 C2' -15.6(7) . . . . ?
C2 C3 Co1 C4 -120.1(8) . . . . ?
C4 C3 Co1 P2 -69.2(5) . . . . ?
C2 C3 Co1 P2 170.7(5) . . . . ?
C4 C3 Co1 P3 64.2(12) . . . . ?
C2 C3 Co1 P3 -55.9(13) . . . . ?
C3 C4 Co1 C4' -6.2(17) . . . . ?
C5 C4 Co1 C4' 114(2) . . . . ?
C3 C4 Co1 C3' -22.3(7) . . . . ?
C5 C4 Co1 C3' 97.7(9) . . . . ?
C3 C4 Co1 C1 -80.8(6) . . . . ?
C5 C4 Co1 C1 39.2(7) . . . . ?
C3 C4 Co1 C5' -123.6(15) . . . . ?
C5 C4 Co1 C5' -3.6(16) . . . . ?
C3 C4 Co1 C5 -120.0(9) . . . . ?
C3 C4 Co1 C2 -37.4(5) . . . . ?
C5 C4 Co1 C2 82.6(7) . . . . ?
C3 C4 Co1 C1' -99.2(7) . . . . ?
C5 C4 Co1 C1' 20.8(7) . . . . ?
C5 C4 Co1 C3 120.0(9) . . . . ?
C3 C4 Co1 C2' -60.8(7) . . . . ?
C5 C4 Co1 C2' 59.1(8) . . . . ?
C3 C4 Co1 P2 113.0(5) . . . . ?
C5 C4 Co1 P2 -127.0(7) . . . . ?
C3 C4 Co1 P3 -158.0(5) . . . . ?
C5 C4 Co1 P3 -38.0(8) . . . . ?
C19 C18 N1 C32 -177.6(4) . . . . ?
C19 C18 N1 Tb1 -5.8(7) . . . . ?
C34 C32 N1 C18 31.1(6) 3_565 . . . ?
C33 C32 N1 C18 -150.5(4) . . . . ?
C34 C32 N1 Tb1 -142.4(4) 3_565 . . . ?
C33 C32 N1 Tb1 36.1(4) . . . . ?
C26 C25 N2 C33 178.9(4) . . . . ?
C26 C25 N2 Tb1 13.3(6) . . . . ?
C34 C33 N2 C25 -26.3(6) . . . . ?
C32 C33 N2 C25 155.4(4) . . . . ?
C34 C33 N2 Tb1 141.6(4) . . . . ?
C32 C33 N2 Tb1 -36.7(4) . . . . ?
C7 C6 O1 P1 166.5(7) . . . . ?
C9 C8 O2 P1 -176.4(5) . . . . ?
C11 C10 O4 O4' -131(3) . . . . ?
O4' C10 O4 P2 -55(2) . . . . ?
C11 C10 O4 P2 173.7(5) . . . . ?
C13 C12 O5 P2 95.6(5) . . . . ?
C15 C14 O7 P3 -97.2(7) . . . . ?
C17 C16 O8 P3 76.6(11) . . . . ?
C23 C24 O10 Tb1 -175.3(4) . . . . ?
C19 C24 O10 Tb1 5.1(8) . . . . ?
C30 C31 O11 Tb1 149.3(3) . . . . ?
C26 C31 O11 Tb1 -33.1(6) . . . . ?
Tb1 O3 P1 O1 122.9(3) . . . . ?
Tb1 O3 P1 O2 -127.2(3) . . . . ?
Tb1 O3 P1 Co1 -4.8(4) . . . . ?
C6 O1 P1 O3 2.1(7) . . . . ?
C6 O1 P1 O2 -111.5(6) . . . . ?
C6 O1 P1 Co1 134.8(6) . . . . ?
C8 O2 P1 O3 -41.9(5) . . . . ?
C8 O2 P1 O1 72.3(5) . . . . ?
C8 O2 P1 Co1 -171.7(5) . . . . ?
C4' Co1 P1 O3 144.7(5) . . . . ?
C3' Co1 P1 O3 172.0(7) . . . . ?
C1 Co1 P1 O3 -140.2(4) . . . . ?
C5' Co1 P1 O3 170.3(15) . . . . ?
C5 Co1 P1 O3 -155.7(10) . . . . ?
C2 Co1 P1 O3 -170.2(4) . . . . ?
C1' Co1 P1 O3 -131.1(6) . . . . ?
C3 Co1 P1 O3 150.4(3) . . . . ?
C2' Co1 P1 O3 -147.4(5) . . . . ?
C4 Co1 P1 O3 134.0(4) . . . . ?
P2 Co1 P1 O3 48.97(18) . . . . ?
P3 Co1 P1 O3 -43.06(18) . . . . ?
C4' Co1 P1 O1 17.8(5) . . . . ?
C3' Co1 P1 O1 45.2(7) . . . . ?
C1 Co1 P1 O1 92.9(4) . . . . ?
C5' Co1 P1 O1 43.4(16) . . . . ?
C5 Co1 P1 O1 77.4(10) . . . . ?
C2 Co1 P1 O1 62.9(4) . . . . ?
C1' Co1 P1 O1 102.0(6) . . . . ?
C3 Co1 P1 O1 23.5(4) . . . . ?
C2' Co1 P1 O1 85.7(5) . . . . ?
C4 Co1 P1 O1 7.1(5) . . . . ?
P2 Co1 P1 O1 -77.91(19) . . . . ?
P3 Co1 P1 O1 -169.93(19) . . . . ?
C4' Co1 P1 O2 -92.7(5) . . . . ?
C3' Co1 P1 O2 -65.3(7) . . . . ?
C1 Co1 P1 O2 -17.6(4) . . . . ?
C5' Co1 P1 O2 -67.0(15) . . . . ?
C5 Co1 P1 O2 -33.0(10) . . . . ?
C2 Co1 P1 O2 -47.6(4) . . . . ?
C1' Co1 P1 O2 -8.4(6) . . . . ?
C3 Co1 P1 O2 -86.9(3) . . . . ?
C2' Co1 P1 O2 -24.7(5) . . . . ?
C4 Co1 P1 O2 -103.3(4) . . . . ?
P2 Co1 P1 O2 171.63(18) . . . . ?
P3 Co1 P1 O2 79.60(18) . . . . ?
Tb1 O6 P2 O4' -145.2(8) . . . . ?
Tb1 O6 P2 O5 124.7(3) . . . . ?
Tb1 O6 P2 O4 -120.9(4) . . . . ?
Tb1 O6 P2 Co1 -3.3(4) . . . . ?
C12 O5 P2 O6 -15.6(5) . . . . ?
C12 O5 P2 O4' -126.5(9) . . . . ?
C12 O5 P2 O4 -131.0(6) . . . . ?
C12 O5 P2 Co1 118.3(4) . . . . ?
O4' O4 P2 O6 -105(3) . . . . ?
C10 O4 P2 O6 -43.4(6) . . . . ?
C10 O4 P2 O4' 62(2) . . . . ?
O4' O4 P2 O5 11(3) . . . . ?
C10 O4 P2 O5 73.0(6) . . . . ?
O4' O4 P2 Co1 127(3) . . . . ?
C10 O4 P2 Co1 -171.8(5) . . . . ?
C4' Co1 P2 O6 -168.3(6) . . . . ?
C3' Co1 P2 O6 -139.4(6) . . . . ?
C1 Co1 P2 O6 151.0(7) . . . . ?
C5' Co1 P2 O6 154.4(6) . . . . ?
C5 Co1 P2 O6 144.3(4) . . . . ?
C2 Co1 P2 O6 -137.0(5) . . . . ?
C1' Co1 P2 O6 134.8(6) . . . . ?
C3 Co1 P2 O6 -146.5(3) . . . . ?
C2' Co1 P2 O6 -164.2(16) . . . . ?
C4 Co1 P2 O6 176.8(4) . . . . ?
P3 Co1 P2 O6 46.85(18) . . . . ?
C4' Co1 P2 O4' -27.8(10) . . . . ?
C3' Co1 P2 O4' 1.1(10) . . . . ?
C1 Co1 P2 O4' -68.6(10) . . . . ?
C5' Co1 P2 O4' -65.2(10) . . . . ?
C5 Co1 P2 O4' -75.2(9) . . . . ?
C2 Co1 P2 O4' 3.5(9) . . . . ?
C1' Co1 P2 O4' -84.8(10) . . . . ?
C3 Co1 P2 O4' -6.1(8) . . . . ?
C2' Co1 P2 O4' -23.8(18) . . . . ?
C4 Co1 P2 O4' -42.7(9) . . . . ?
P3 Co1 P2 O4' -172.7(8) . . . . ?
C4' Co1 P2 O5 63.9(6) . . . . ?
C3' Co1 P2 O5 92.9(6) . . . . ?
C1 Co1 P2 O5 23.2(7) . . . . ?
C5' Co1 P2 O5 26.6(6) . . . . ?
C5 Co1 P2 O5 16.6(4) . . . . ?
C2 Co1 P2 O5 95.3(5) . . . . ?
C1' Co1 P2 O5 7.0(6) . . . . ?
C3 Co1 P2 O5 85.7(4) . . . . ?
C2' Co1 P2 O5 68.0(16) . . . . ?
C4 Co1 P2 O5 49.1(4) . . . . ?
P3 Co1 P2 O5 -80.9(2) . . . . ?
C4' Co1 P2 O4 -48.5(7) . . . . ?
C3' Co1 P2 O4 -19.6(6) . . . . ?
C1 Co1 P2 O4 -89.3(7) . . . . ?
C5' Co1 P2 O4 -85.9(7) . . . . ?
C5 Co1 P2 O4 -95.9(5) . . . . ?
C2 Co1 P2 O4 -17.2(5) . . . . ?
C1' Co1 P2 O4 -105.4(6) . . . . ?
C3 Co1 P2 O4 -26.8(4) . . . . ?
C2' Co1 P2 O4 -44.4(17) . . . . ?
C4 Co1 P2 O4 -63.4(4) . . . . ?
P3 Co1 P2 O4 166.6(3) . . . . ?
Tb1 O9 P3 O8 109.0(4) . . . . ?
Tb1 O9 P3 O7 -143.5(3) . . . . ?
Tb1 O9 P3 Co1 -19.6(4) . . . . ?
C16 O8 P3 O9 -18.2(8) . . . . ?
C16 O8 P3 O7 -131.4(7) . . . . ?
C16 O8 P3 Co1 115.4(7) . . . . ?
C14 O7 P3 O9 -9.4(7) . . . . ?
C14 O7 P3 O8 103.3(6) . . . . ?
C14 O7 P3 Co1 -140.7(5) . . . . ?
C4' Co1 P3 O9 -136.7(8) . . . . ?
C3' Co1 P3 O9 152.1(8) . . . . ?
C1 Co1 P3 O9 172.5(4) . . . . ?
C5' Co1 P3 O9 -138.4(6) . . . . ?
C5 Co1 P3 O9 -146.1(4) . . . . ?
C2 Co1 P3 O9 146.1(4) . . . . ?
C1' Co1 P3 O9 -172.1(6) . . . . ?
C3 Co1 P3 O9 -171.4(10) . . . . ?
C2' Co1 P3 O9 152.8(5) . . . . ?
C4 Co1 P3 O9 -122.9(4) . . . . ?
P2 Co1 P3 O9 -36.9(2) . . . . ?
C4' Co1 P3 O8 96.2(8) . . . . ?
C3' Co1 P3 O8 25.0(9) . . . . ?
C1 Co1 P3 O8 45.5(4) . . . . ?
C5' Co1 P3 O8 94.6(6) . . . . ?
C5 Co1 P3 O8 86.8(4) . . . . ?
C2 Co1 P3 O8 19.0(4) . . . . ?
C1' Co1 P3 O8 60.8(6) . . . . ?
C3 Co1 P3 O8 61.6(10) . . . . ?
C2' Co1 P3 O8 25.7(5) . . . . ?
C4 Co1 P3 O8 110.0(4) . . . . ?
P2 Co1 P3 O8 -164.0(2) . . . . ?
C4' Co1 P3 O7 -12.2(8) . . . . ?
C3' Co1 P3 O7 -83.4(9) . . . . ?
C1 Co1 P3 O7 -63.0(5) . . . . ?
C5' Co1 P3 O7 -13.9(6) . . . . ?
C5 Co1 P3 O7 -21.7(5) . . . . ?
C2 Co1 P3 O7 -89.5(4) . . . . ?
C1' Co1 P3 O7 -47.7(6) . . . . ?
C3 Co1 P3 O7 -46.9(10) . . . . ?
C2' Co1 P3 O7 -82.8(5) . . . . ?
C4 Co1 P3 O7 1.5(4) . . . . ?
P2 Co1 P3 O7 87.5(2) . . . . ?
C24 O10 Tb1 O11 -120.9(5) . . . . ?
C24 O10 Tb1 O9 142.0(5) . . . . ?
C24 O10 Tb1 O3 62.5(5) . . . . ?
C24 O10 Tb1 O6 160.2(4) . . . . ?
C24 O10 Tb1 N2 -49.7(5) . . . . ?
C24 O10 Tb1 N1 -7.4(5) . . . . ?
C31 O11 Tb1 O10 162.9(4) . . . . ?
C31 O11 Tb1 O9 -113.5(4) . . . . ?
C31 O11 Tb1 O3 -28.4(6) . . . . ?
C31 O11 Tb1 O6 -37.8(4) . . . . ?
C31 O11 Tb1 N2 38.6(4) . . . . ?
C31 O11 Tb1 N1 90.9(4) . . . . ?
P3 O9 Tb1 O10 -131.7(3) . . . . ?
P3 O9 Tb1 O11 137.3(3) . . . . ?
P3 O9 Tb1 O3 -25.3(3) . . . . ?
P3 O9 Tb1 O6 54.8(3) . . . . ?
P3 O9 Tb1 N2 68.9(4) . . . . ?
P3 O9 Tb1 N1 -80.5(4) . . . . ?
P1 O3 Tb1 O10 120.7(3) . . . . ?
P1 O3 Tb1 O11 -47.6(5) . . . . ?
P1 O3 Tb1 O9 39.9(3) . . . . ?
P1 O3 Tb1 O6 -38.0(3) . . . . ?
P1 O3 Tb1 N2 -111.0(3) . . . . ?
P1 O3 Tb1 N1 -171.8(3) . . . . ?
P2 O6 Tb1 O10 -59.9(5) . . . . ?
P2 O6 Tb1 O11 -140.2(3) . . . . ?
P2 O6 Tb1 O9 -41.4(3) . . . . ?
P2 O6 Tb1 O3 42.6(3) . . . . ?
P2 O6 Tb1 N2 145.5(3) . . . . ?
P2 O6 Tb1 N1 105.0(3) . . . . ?
C25 N2 Tb1 O10 -108.6(4) . . . . ?
C33 N2 Tb1 O10 84.5(3) . . . . ?
C25 N2 Tb1 O11 -27.6(4) . . . . ?
C33 N2 Tb1 O11 165.5(3) . . . . ?
C25 N2 Tb1 O9 46.6(5) . . . . ?
C33 N2 Tb1 O9 -120.3(3) . . . . ?
C25 N2 Tb1 O3 136.3(4) . . . . ?
C33 N2 Tb1 O3 -30.6(3) . . . . ?
C25 N2 Tb1 O6 60.7(4) . . . . ?
C33 N2 Tb1 O6 -106.1(3) . . . . ?
C25 N2 Tb1 N1 -153.9(4) . . . . ?
C33 N2 Tb1 N1 39.2(2) . . . . ?
C18 N1 Tb1 O10 7.1(4) . . . . ?
C32 N1 Tb1 O10 179.5(3) . . . . ?
C18 N1 Tb1 O11 91.6(4) . . . . ?
C32 N1 Tb1 O11 -96.0(3) . . . . ?
C18 N1 Tb1 O9 -47.1(5) . . . . ?
C32 N1 Tb1 O9 125.3(3) . . . . ?
C18 N1 Tb1 O3 -103.9(4) . . . . ?
C32 N1 Tb1 O3 68.5(3) . . . . ?
C18 N1 Tb1 O6 -167.3(4) . . . . ?
C32 N1 Tb1 O6 5.1(3) . . . . ?
C18 N1 Tb1 N2 148.6(4) . . . . ?
C32 N1 Tb1 N2 -39.0(3) . . . . ?
C4' Co1 C2' C1' -76.6(10) . . . . ?
C3' Co1 C2' C1' -113.7(12) . . . . ?
C1 Co1 C2' C1' -1.3(14) . . . . ?
C5' Co1 C2' C1' -35.6(9) . . . . ?
C5 Co1 C2' C1' -22.7(8) . . . . ?
C2 Co1 C2' C1' -126.4(16) . . . . ?
C3 Co1 C2' C1' -100.9(9) . . . . ?
C4 Co1 C2' C1' -61.6(8) . . . . ?
P2 Co1 C2' C1' -81.0(19) . . . . ?
P3 Co1 C2' C1' 66.9(8) . . . . ?
C4' Co1 C2' C3' 37.1(9) . . . . ?
C1 Co1 C2' C3' 112.4(17) . . . . ?
C5' Co1 C2' C3' 78.1(10) . . . . ?
C5 Co1 C2' C3' 91.1(9) . . . . ?
C2 Co1 C2' C3' -12.6(13) . . . . ?
C1' Co1 C2' C3' 113.7(12) . . . . ?
C3 Co1 C2' C3' 12.9(8) . . . . ?
C4 Co1 C2' C3' 52.2(9) . . . . ?
P2 Co1 C2' C3' 33(2) . . . . ?
P3 Co1 C2' C3' -179.4(9) . . . . ?
C3' C2' C1' C5' 0.2(14) . . . . ?
Co1 C2' C1' C5' 59.2(10) . . . . ?
C3' C2' C1' Co1 -59.0(8) . . . . ?
C4' Co1 C1' C5' -36.3(11) . . . . ?
C3' Co1 C1' C5' -80.3(12) . . . . ?
C1 Co1 C1' C5' -120(2) . . . . ?
C5 Co1 C1' C5' 11.9(14) . . . . ?
C2 Co1 C1' C5' -98.3(11) . . . . ?
C3 Co1 C1' C5' -58.0(11) . . . . ?
C2' Co1 C1' C5' -121.7(13) . . . . ?
C4 Co1 C1' C5' -17.3(10) . . . . ?
P2 Co1 C1' C5' 31.8(13) . . . . ?
P3 Co1 C1' C5' 121.7(12) . . . . ?
C4' Co1 C1' C2' 85.4(10) . . . . ?
C3' Co1 C1' C2' 41.4(9) . . . . ?
C1 Co1 C1' C2' 1.6(17) . . . . ?
C5' Co1 C1' C2' 121.7(13) . . . . ?
C5 Co1 C1' C2' 133.6(15) . . . . ?
C2 Co1 C1' C2' 23.4(7) . . . . ?
C3 Co1 C1' C2' 63.6(8) . . . . ?
C4 Co1 C1' C2' 104.4(9) . . . . ?
P2 Co1 C1' C2' 153.4(8) . . . . ?
P3 Co1 C1' C2' -116.6(8) . . . . ?
C1' C2' C3' C4' 0.7(14) . . . . ?
Co1 C2' C3' C4' -60.3(9) . . . . ?
C1' C2' C3' Co1 61.0(8) . . . . ?
C1 Co1 C3' C4' 93.8(10) . . . . ?
C5' Co1 C3' C4' 36.6(10) . . . . ?
C5 Co1 C3' C4' 50.0(9) . . . . ?
C2 Co1 C3' C4' 136(2) . . . . ?
C1' Co1 C3' C4' 79.7(10) . . . . ?
C3 Co1 C3' C4' -31.0(12) . . . . ?
C2' Co1 C3' C4' 118.9(13) . . . . ?
C4 Co1 C3' C4' 7.4(9) . . . . ?
P2 Co1 C3' C4' -49.2(11) . . . . ?
P3 Co1 C3' C4' 120.0(13) . . . . ?
C4' Co1 C3' C2' -118.9(13) . . . . ?
C1 Co1 C3' C2' -25.2(7) . . . . ?
C5' Co1 C3' C2' -82.3(10) . . . . ?
C5 Co1 C3' C2' -69.0(9) . . . . ?
C2 Co1 C3' C2' 16.8(17) . . . . ?
C1' Co1 C3' C2' -39.2(8) . . . . ?
C3 Co1 C3' C2' -149.9(18) . . . . ?
C4 Co1 C3' C2' -111.6(10) . . . . ?
P2 Co1 C3' C2' -168.2(8) . . . . ?
P3 Co1 C3' C2' 1.0(15) . . . . ?
C2' C3' C4' C5' -1.5(16) . . . . ?
Co1 C3' C4' C5' -63.8(11) . . . . ?
C2' C3' C4' Co1 62.4(9) . . . . ?
C3' Co1 C4' C5' 117.9(15) . . . . ?
C1 Co1 C4' C5' 56.7(11) . . . . ?
C5 Co1 C4' C5' 10.0(12) . . . . ?
C2 Co1 C4' C5' 102.4(12) . . . . ?
C1' Co1 C4' C5' 37.4(11) . . . . ?
C3 Co1 C4' C5' 149(2) . . . . ?
C2' Co1 C4' C5' 79.7(12) . . . . ?
C4 Co1 C4' C5' -41.0(18) . . . . ?
P2 Co1 C4' C5' -101.7(12) . . . . ?
P3 Co1 C4' C5' -2.6(17) . . . . ?
C1 Co1 C4' C3' -61.2(10) . . . . ?
C5' Co1 C4' C3' -117.9(15) . . . . ?
C5 Co1 C4' C3' -107.9(11) . . . . ?
C2 Co1 C4' C3' -15.5(9) . . . . ?
C1' Co1 C4' C3' -80.5(11) . . . . ?
C3 Co1 C4' C3' 31.4(12) . . . . ?
C2' Co1 C4' C3' -38.2(9) . . . . ?
C4 Co1 C4' C3' -159(2) . . . . ?
P2 Co1 C4' C3' 140.4(11) . . . . ?
P3 Co1 C4' C3' -120.5(13) . . . . ?
C3' C4' C5' C1' 1.6(17) . . . . ?
Co1 C4' C5' C1' -60.7(10) . . . . ?
C3' C4' C5' Co1 62.3(10) . . . . ?
C2' C1' C5' C4' -1.1(17) . . . . ?
Co1 C1' C5' C4' 59.3(11) . . . . ?
C2' C1' C5' Co1 -60.4(9) . . . . ?
C3' Co1 C5' C4' -38.6(11) . . . . ?
C1 Co1 C5' C4' -99.1(13) . . . . ?
C5 Co1 C5' C4' -144(4) . . . . ?
C2 Co1 C5' C4' -57.6(11) . . . . ?
C1' Co1 C5' C4' -119.0(16) . . . . ?
C3 Co1 C5' C4' -13.4(9) . . . . ?
C2' Co1 C5' C4' -83.5(12) . . . . ?
C4 Co1 C5' C4' 25.3(10) . . . . ?
P2 Co1 C5' C4' 83.1(11) . . . . ?
P3 Co1 C5' C4' 178.4(10) . . . . ?
C4' Co1 C5' C1' 119.0(16) . . . . ?
C3' Co1 C5' C1' 80.4(11) . . . . ?
C1 Co1 C5' C1' 19.9(7) . . . . ?
C5 Co1 C5' C1' -25(3) . . . . ?
C2 Co1 C5' C1' 61.4(10) . . . . ?
C3 Co1 C5' C1' 105.6(11) . . . . ?
C2' Co1 C5' C1' 35.5(9) . . . . ?
C4 Co1 C5' C1' 144(2) . . . . ?
P2 Co1 C5' C1' -157.9(10) . . . . ?
P3 Co1 C5' C1' -62.6(11) . . . . ?
P2 O4 O4' C10 126.7(10) . . . . ?
C10 O4 O4' P2 -126.7(10) . . . . ?
C11 C10 O4' O4 58(3) . . . . ?
O4 C10 O4' P2 80(3) . . . . ?
C11 C10 O4' P2 138.5(13) . . . . ?
O6 P2 O4' O4 83(3) . . . . ?
O5 P2 O4' O4 -169(3) . . . . ?
Co1 P2 O4' O4 -60(3) . . . . ?
O6 P2 O4' C10 10.6(18) . . . . ?
O5 P2 O4' C10 118.3(16) . . . . ?
O4 P2 O4' C10 -73(2) . . . . ?
Co1 P2 O4' C10 -133.2(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.168
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.102
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1403112'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H92 Co2 Ho2 N4 O22 P6'
_chemical_formula_weight         1951.00

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'
P P 0.1023 0.0942 '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'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.5198(15)
_cell_length_b                   15.0667(14)
_cell_length_c                   17.9808(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.9620(10)
_cell_angle_gamma                90.00
_cell_volume                     4343.2(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9030
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.22

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1964
_exptl_absorpt_coefficient_mu    2.354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5690
_exptl_absorpt_correction_T_max  0.6255
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31623
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.79
_diffrn_reflns_theta_max         25.01
_reflns_number_total             7612
_reflns_number_gt                6300
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.875 0.099 0.298 30 2 ' '
2 0.336 0.196 0.133 174 43 ' '
3 0.779 0.098 0.050 14 0 ' '
4 0.336 0.304 0.633 174 42 ' '
5 0.875 0.401 0.798 30 2 ' '
6 0.779 0.402 0.550 14 0 ' '
7 0.125 0.599 0.202 30 2 ' '
8 0.664 0.696 0.367 174 42 ' '
9 0.220 0.598 0.449 14 0 ' '
10 0.664 0.804 0.867 174 42 ' '
11 0.125 0.901 0.702 30 2 ' '
12 0.220 0.902 0.949 14 0 ' '
_platon_squeeze_details          
;
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+12.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7612
_refine_ls_number_parameters     490
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_ref         0.0692
_refine_ls_wR_factor_gt          0.0667
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_restrained_S_all      1.163
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.0197(4) 0.8604(5) 0.3595(5) 0.034(3) Uani 0.655(15) 1 d PGU A 1
H1A H -0.0640 0.8938 0.3246 0.041 Uiso 0.655(15) 1 calc PR A 1
C2 C 0.0158(4) 0.8810(5) 0.4371(4) 0.027(2) Uani 0.655(15) 1 d PGU A 1
H2A H 0.0013 0.9319 0.4653 0.032 Uiso 0.655(15) 1 calc PR A 1
C3 C 0.0761(4) 0.8156(5) 0.4670(4) 0.027(2) Uani 0.655(15) 1 d PGU A 1
H3A H 0.1105 0.8129 0.5196 0.033 Uiso 0.655(15) 1 calc PR A 1
C4 C 0.0778(4) 0.7545(4) 0.4078(5) 0.036(3) Uani 0.655(15) 1 d PGU A 1
H4A H 0.1127 0.7012 0.4125 0.043 Uiso 0.655(15) 1 calc PR A 1
C5 C 0.0186(5) 0.7822(5) 0.3414(4) 0.031(2) Uani 0.655(15) 1 d PGU A 1
H5A H 0.0048 0.7513 0.2920 0.038 Uiso 0.655(15) 1 calc PR A 1
C6 C 0.2116(3) 1.0680(4) 0.5574(3) 0.0416(14) Uani 1 1 d . . .
H6A H 0.1719 1.1155 0.5574 0.050 Uiso 1 1 calc R B 1
H6B H 0.2574 1.0911 0.5382 0.050 Uiso 1 1 calc R B 1
C7 C 0.2425(4) 1.0316(5) 0.6357(3) 0.067(2) Uani 1 1 d . . .
H7A H 0.1966 1.0078 0.6534 0.101 Uiso 1 1 calc R . .
H7B H 0.2687 1.0781 0.6696 0.101 Uiso 1 1 calc R . .
H7C H 0.2823 0.9855 0.6349 0.101 Uiso 1 1 calc R . .
C8 C 0.0516(3) 1.1492(4) 0.3582(3) 0.0491(16) Uani 1 1 d . A .
H8A H -0.0065 1.1542 0.3309 0.059 Uiso 1 1 calc R . .
H8B H 0.0849 1.1443 0.3207 0.059 Uiso 1 1 calc R . .
C9 C 0.0771(3) 1.2291(4) 0.4062(4) 0.0461(15) Uani 1 1 d . . .
H9A H 0.0481 1.2304 0.4465 0.069 Uiso 1 1 calc R . .
H9B H 0.0634 1.2814 0.3751 0.069 Uiso 1 1 calc R . .
H9C H 0.1361 1.2274 0.4280 0.069 Uiso 1 1 calc R . .
C10 C 0.3495(4) 0.8472(5) 0.5246(4) 0.0632(18) Uani 1 1 d U A .
H10A H 0.3439 0.9106 0.5315 0.076 Uiso 1 1 calc R . .
H10B H 0.3919 0.8392 0.4960 0.076 Uiso 1 1 calc R . .
C11 C 0.3801(5) 0.8087(5) 0.5985(4) 0.088(2) Uani 1 1 d U . .
H11A H 0.3343 0.7972 0.6213 0.132 Uiso 1 1 calc R . .
H11B H 0.4184 0.8490 0.6303 0.132 Uiso 1 1 calc R . .
H11C H 0.4082 0.7541 0.5935 0.132 Uiso 1 1 calc R . .
C12 C 0.3175(4) 0.7093(5) 0.3475(5) 0.068(2) Uani 1 1 d . A .
H12A H 0.3543 0.7046 0.3983 0.082 Uiso 1 1 calc R . .
H12B H 0.3434 0.7489 0.3175 0.082 Uiso 1 1 calc R . .
C13 C 0.3069(5) 0.6226(5) 0.3120(5) 0.082(2) Uani 1 1 d . . .
H13A H 0.2735 0.5863 0.3368 0.123 Uiso 1 1 calc R . .
H13B H 0.3605 0.5955 0.3170 0.123 Uiso 1 1 calc R . .
H13C H 0.2797 0.6287 0.2587 0.123 Uiso 1 1 calc R . .
C14 C 0.1620(5) 0.8166(5) 0.1650(4) 0.073 Uani 1 1 d . . .
H14A H 0.2154 0.8227 0.2017 0.088 Uiso 1 1 calc R . .
H14B H 0.1545 0.7538 0.1537 0.088 Uiso 1 1 calc R . .
C15 C 0.1703(5) 0.8562(5) 0.0997(4) 0.073 Uani 1 1 d . . .
H15A H 0.1203 0.8476 0.0602 0.109 Uiso 1 1 calc R . .
H15B H 0.2167 0.8305 0.0840 0.109 Uiso 1 1 calc R . .
H15C H 0.1799 0.9186 0.1086 0.109 Uiso 1 1 calc R . .
C16 C -0.0073(3) 1.0308(5) 0.1721(3) 0.055 Uani 1 1 d . . .
H16A H 0.0405 1.0700 0.1795 0.066 Uiso 1 1 calc R . .
H16B H -0.0529 1.0645 0.1835 0.066 Uiso 1 1 calc R . .
C17 C -0.0300(5) 1.0055(5) 0.0949(4) 0.074(2) Uani 1 1 d . . .
H17A H 0.0160 0.9756 0.0817 0.111 Uiso 1 1 calc R . .
H17B H -0.0444 1.0572 0.0633 0.111 Uiso 1 1 calc R . .
H17C H -0.0771 0.9662 0.0867 0.111 Uiso 1 1 calc R . .
C18 C 0.3705(3) 1.1970(3) 0.4396(3) 0.0212(10) Uani 1 1 d . . .
H18 H 0.4036 1.2142 0.4869 0.025 Uiso 1 1 calc R . .
C19 C 0.3107(2) 1.2601(3) 0.3989(2) 0.0196(10) Uani 1 1 d . . .
C20 C 0.3006(3) 1.3384(3) 0.4380(3) 0.0252(11) Uani 1 1 d . . .
H20 H 0.3303 1.3451 0.4887 0.030 Uiso 1 1 calc R . .
C21 C 0.2486(3) 1.4055(3) 0.4039(3) 0.0302(11) Uani 1 1 d . . .
H21 H 0.2427 1.4567 0.4311 0.036 Uiso 1 1 calc R . .
C22 C 0.2051(3) 1.3954(3) 0.3281(3) 0.0324(12) Uani 1 1 d . . .
H22 H 0.1697 1.4404 0.3042 0.039 Uiso 1 1 calc R . .
C23 C 0.2134(3) 1.3203(3) 0.2879(3) 0.0276(11) Uani 1 1 d . . .
H23 H 0.1840 1.3155 0.2370 0.033 Uiso 1 1 calc R . .
C24 C 0.2654(3) 1.2501(3) 0.3219(2) 0.0208(10) Uani 1 1 d . A .
C25 C 0.4883(3) 0.9666(3) 0.2956(2) 0.0227(10) Uani 1 1 d . . .
H25 H 0.5424 0.9493 0.3195 0.027 Uiso 1 1 calc R . .
C26 C 0.4646(3) 0.9596(3) 0.2144(2) 0.0239(10) Uani 1 1 d . . .
C27 C 0.5236(3) 0.9283(4) 0.1762(3) 0.0339(12) Uani 1 1 d . . .
H27 H 0.5759 0.9114 0.2051 0.041 Uiso 1 1 calc R . .
C28 C 0.5073(3) 0.9217(4) 0.0984(3) 0.0428(14) Uani 1 1 d . . .
H28 H 0.5478 0.9005 0.0749 0.051 Uiso 1 1 calc R . .
C29 C 0.4300(3) 0.9470(4) 0.0548(3) 0.0394(14) Uani 1 1 d . . .
H29 H 0.4186 0.9432 0.0016 0.047 Uiso 1 1 calc R . .
C30 C 0.3693(3) 0.9780(3) 0.0898(3) 0.0295(11) Uani 1 1 d . . .
H30 H 0.3176 0.9945 0.0595 0.035 Uiso 1 1 calc R . .
C31 C 0.3841(3) 0.9850(3) 0.1695(3) 0.0225(10) Uani 1 1 d . A .
C32 C 0.4747(2) 0.9959(3) 0.4204(2) 0.0180(9) Uani 1 1 d . . .
C33 C 0.4422(2) 1.0606(3) 0.4609(2) 0.0183(10) Uani 1 1 d . . .
C34 C 0.4681(2) 1.0646(3) 0.5403(2) 0.0192(10) Uani 1 1 d . . .
H34 H 0.4468 1.1081 0.5669 0.023 Uiso 1 1 calc R . .
Co1 Co 0.10818(4) 0.87904(4) 0.37390(4) 0.02438(15) Uani 1 1 d . . .
Ho1 Ho 0.293398(11) 1.036276(14) 0.309562(11) 0.01678(6) Uani 1 1 d . A .
N1 N 0.3817(2) 1.1183(2) 0.41573(19) 0.0184(8) Uani 1 1 d . . .
N2 N 0.4421(2) 0.9946(2) 0.3398(2) 0.0194(8) Uani 1 1 d . . .
O1 O 0.1722(3) 0.9956(4) 0.5111(3) 0.0317(13) Uani 0.80 1 d PU A 1
O2 O 0.0633(2) 1.0711(3) 0.4065(3) 0.0577(12) Uani 1 1 d . . .
O3 O 0.21041(18) 1.0604(2) 0.39411(18) 0.0277(8) Uani 1 1 d . . .
O4 O 0.2752(2) 0.8167(3) 0.4800(2) 0.0586(13) Uani 1 1 d . . .
O5 O 0.2400(2) 0.7453(2) 0.3532(3) 0.0563(12) Uani 1 1 d . . .
O6 O 0.29763(18) 0.9009(2) 0.36638(19) 0.0277(8) Uani 1 1 d . . .
O7 O 0.1018(3) 0.8403(3) 0.2032(3) 0.0760(16) Uani 1 1 d . . .
O8 O 0.0124(2) 0.9611(4) 0.2245(2) 0.072 Uani 1 1 d . . .
O9 O 0.16612(19) 0.9873(2) 0.24357(18) 0.0328(8) Uani 1 1 d . . .
O10 O 0.27103(18) 1.1787(2) 0.28128(17) 0.0229(7) Uani 1 1 d . . .
O11 O 0.32555(18) 1.0139(2) 0.20000(17) 0.0263(8) Uani 1 1 d . . .
P1 P 0.14287(7) 1.01022(9) 0.41821(7) 0.0275(3) Uani 1 1 d . A .
P2 P 0.23738(7) 0.84054(9) 0.39272(8) 0.0303(3) Uani 1 1 d . A .
P3 P 0.10348(8) 0.92198(10) 0.25822(7) 0.0318(3) Uani 1 1 d . A .
C1' C 0.0544(9) 0.7510(8) 0.3584(10) 0.029(5) Uani 0.345(15) 1 d PGU A 2
H1'A H 0.0734 0.7012 0.3318 0.034 Uiso 0.345(15) 1 calc PR A 2
C2' C -0.0056(8) 0.8144(10) 0.3249(8) 0.027(4) Uani 0.345(15) 1 d PGU A 2
H2'A H -0.0359 0.8167 0.2709 0.033 Uiso 0.345(15) 1 calc PR A 2
C4' C -0.0132(9) 0.8751(9) 0.3820(10) 0.034(5) Uani 0.345(15) 1 d PGU A 2
H4'A H -0.0517 0.9256 0.3755 0.041 Uiso 0.345(15) 1 calc PR A 2
C3' C 0.0420(10) 0.8492(11) 0.4508(8) 0.036(5) Uani 0.345(15) 1 d PGU A 2
H3'A H 0.0477 0.8775 0.5009 0.043 Uiso 0.345(15) 1 calc PR A 2
C5' C 0.0838(8) 0.7725(11) 0.4362(9) 0.037(5) Uani 0.345(15) 1 d PGU A 2
H5'A H 0.1251 0.7388 0.4740 0.045 Uiso 0.345(15) 1 calc PR A 2
O1' O 0.1402(11) 1.0304(12) 0.4988(11) 0.024(4) Uani 0.20 1 d P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.412(6) . ?
C1 C5 1.412(6) . ?
C1 Co1 2.085(7) . ?
C1 H1A 0.9800 . ?
C2 C3 1.412(6) . ?
C2 Co1 2.112(6) . ?
C2 H2A 0.9800 . ?
C3 C4 1.412(6) . ?
C3 Co1 2.103(6) . ?
C3 H3A 0.9800 . ?
C4 C5 1.412(6) . ?
C4 Co1 2.072(7) . ?
C4 H4A 0.9800 . ?
C5 Co1 2.060(7) . ?
C5 H5A 0.9800 . ?
C6 O1 1.429(7) . ?
C6 O1' 1.491(18) . ?
C6 C7 1.482(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O2 1.447(7) . ?
C8 C9 1.482(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O4 1.374(7) . ?
C10 C11 1.425(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O5 1.418(7) . ?
C12 C13 1.445(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.352(9) . ?
C14 O7 1.386(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O8 1.396(7) . ?
C16 C17 1.401(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N1 1.289(6) . ?
C18 C19 1.437(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.404(6) . ?
C19 C24 1.414(6) . ?
C20 C21 1.372(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.389(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.367(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.406(6) . ?
C23 H23 0.9300 . ?
C24 O10 1.316(5) . ?
C25 N2 1.299(5) . ?
C25 C26 1.422(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.403(6) . ?
C26 C31 1.431(6) . ?
C27 C28 1.363(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.382(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.387(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.399(6) . ?
C30 H30 0.9300 . ?
C31 O11 1.296(5) . ?
C32 C34 1.379(6) 3_676 ?
C32 C33 1.399(6) . ?
C32 N2 1.418(5) . ?
C33 C34 1.389(6) . ?
C33 N1 1.422(5) . ?
C34 C32 1.379(6) 3_676 ?
C34 H34 0.9300 . ?
Co1 C3' 2.010(15) . ?
Co1 C5' 2.053(14) . ?
Co1 C4' 2.047(15) . ?
Co1 C1' 2.115(13) . ?
Co1 C2' 2.111(12) . ?
Co1 P1 2.1563(15) . ?
Co1 P2 2.1584(14) . ?
Ho1 O11 2.187(3) . ?
Ho1 O10 2.216(3) . ?
Ho1 O6 2.275(3) . ?
Ho1 O9 2.274(3) . ?
Ho1 O3 2.308(3) . ?
Ho1 N1 2.441(3) . ?
Ho1 N2 2.465(3) . ?
O1 P1 1.638(5) . ?
O2 P1 1.575(4) . ?
O3 P1 1.496(3) . ?
O4 P2 1.584(4) . ?
O5 P2 1.606(4) . ?
O6 P2 1.507(3) . ?
O7 P3 1.576(4) . ?
O8 P3 1.594(4) . ?
O9 P3 1.496(3) . ?
P1 O1' 1.49(2) . ?
C1' C2' 1.403(12) . ?
C1' C5' 1.404(12) . ?
C1' H1'A 0.9800 . ?
C2' C4' 1.403(12) . ?
C2' H2'A 0.9800 . ?
C4' C3' 1.403(12) . ?
C4' H4'A 0.9800 . ?
C3' C5' 1.404(12) . ?
C3' H3'A 0.9800 . ?
C5' H5'A 0.9800 . ?

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
C2 C1 C5 108.0 . . ?
C2 C1 Co1 71.4(2) . . ?
C5 C1 Co1 69.1(2) . . ?
C2 C1 H1A 126.0 . . ?
C5 C1 H1A 126.0 . . ?
Co1 C1 H1A 126.0 . . ?
C3 C2 C1 108.0 . . ?
C3 C2 Co1 70.1(2) . . ?
C1 C2 Co1 69.3(2) . . ?
C3 C2 H2A 126.0 . . ?
C1 C2 H2A 126.0 . . ?
Co1 C2 H2A 126.0 . . ?
C2 C3 C4 108.0 . . ?
C2 C3 Co1 70.7(2) . . ?
C4 C3 Co1 69.0(2) . . ?
C2 C3 H3A 126.0 . . ?
C4 C3 H3A 126.0 . . ?
Co1 C3 H3A 126.0 . . ?
C3 C4 C5 108.0 . . ?
C3 C4 Co1 71.5(2) . . ?
C5 C4 Co1 69.6(2) . . ?
C3 C4 H4A 126.0 . . ?
C5 C4 H4A 126.0 . . ?
Co1 C4 H4A 126.0 . . ?
C4 C5 C1 108.0 . . ?
C4 C5 Co1 70.5(2) . . ?
C1 C5 Co1 71.0(2) . . ?
C4 C5 H5A 126.0 . . ?
C1 C5 H5A 126.0 . . ?
Co1 C5 H5A 126.0 . . ?
O1 C6 O1' 29.2(6) . . ?
O1 C6 C7 106.0(5) . . ?
O1' C6 C7 124.3(9) . . ?
O1 C6 H6A 110.5 . . ?
O1' C6 H6A 82.1 . . ?
C7 C6 H6A 110.5 . . ?
O1 C6 H6B 110.5 . . ?
O1' C6 H6B 115.9 . . ?
C7 C6 H6B 110.5 . . ?
H6A C6 H6B 108.7 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 109.5(5) . . ?
O2 C8 H8A 109.8 . . ?
C9 C8 H8A 109.8 . . ?
O2 C8 H8B 109.8 . . ?
C9 C8 H8B 109.8 . . ?
H8A C8 H8B 108.2 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C11 118.3(6) . . ?
O4 C10 H10A 107.7 . . ?
C11 C10 H10A 107.7 . . ?
O4 C10 H10B 107.7 . . ?
C11 C10 H10B 107.7 . . ?
H10A C10 H10B 107.1 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 111.2(6) . . ?
O5 C12 H12A 109.4 . . ?
C13 C12 H12A 109.4 . . ?
O5 C12 H12B 109.4 . . ?
C13 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 O7 123.5(7) . . ?
C15 C14 H14A 106.4 . . ?
O7 C14 H14A 106.4 . . ?
C15 C14 H14B 106.4 . . ?
O7 C14 H14B 106.4 . . ?
H14A C14 H14B 106.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 115.3(6) . . ?
O8 C16 H16A 108.5 . . ?
C17 C16 H16A 108.5 . . ?
O8 C16 H16B 108.5 . . ?
C17 C16 H16B 108.5 . . ?
H16A C16 H16B 107.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 C19 125.1(4) . . ?
N1 C18 H18 117.4 . . ?
C19 C18 H18 117.4 . . ?
C20 C19 C24 118.8(4) . . ?
C20 C19 C18 116.8(4) . . ?
C24 C19 C18 124.3(4) . . ?
C21 C20 C19 122.3(4) . . ?
C21 C20 H20 118.9 . . ?
C19 C20 H20 118.9 . . ?
C20 C21 C22 118.5(5) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
C23 C22 C21 121.1(4) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 121.4(4) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
O10 C24 C23 119.4(4) . . ?
O10 C24 C19 122.6(4) . . ?
C23 C24 C19 118.0(4) . . ?
N2 C25 C26 126.5(4) . . ?
N2 C25 H25 116.7 . . ?
C26 C25 H25 116.7 . . ?
C27 C26 C25 118.3(4) . . ?
C27 C26 C31 118.4(4) . . ?
C25 C26 C31 123.2(4) . . ?
C28 C27 C26 122.5(5) . . ?
C28 C27 H27 118.7 . . ?
C26 C27 H27 118.7 . . ?
C27 C28 C29 119.3(5) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C28 C29 C30 120.3(5) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C31 121.6(4) . . ?
C29 C30 H30 119.2 . . ?
C31 C30 H30 119.2 . . ?
O11 C31 C30 119.7(4) . . ?
O11 C31 C26 122.5(4) . . ?
C30 C31 C26 117.8(4) . . ?
C34 C32 C33 119.6(4) 3_676 . ?
C34 C32 N2 124.1(4) 3_676 . ?
C33 C32 N2 116.2(4) . . ?
C34 C33 C32 120.2(4) . . ?
C34 C33 N1 124.0(4) . . ?
C32 C33 N1 115.7(4) . . ?
C32 C34 C33 120.1(4) 3_676 . ?
C32 C34 H34 119.9 3_676 . ?
C33 C34 H34 119.9 . . ?
C3' Co1 C5' 40.4(3) . . ?
C3' Co1 C4' 40.5(3) . . ?
C5' Co1 C4' 67.3(5) . . ?
C3' Co1 C5 64.2(4) . . ?
C5' Co1 C5 51.6(4) . . ?
C4' Co1 C5 49.5(4) . . ?
C3' Co1 C4 52.0(4) . . ?
C5' Co1 C4 15.7(4) . . ?
C4' Co1 C4 69.0(4) . . ?
C5 Co1 C4 39.97(16) . . ?
C3' Co1 C1 49.6(4) . . ?
C5' Co1 C1 68.6(4) . . ?
C4' Co1 C1 12.5(4) . . ?
C5 Co1 C1 39.83(16) . . ?
C4 Co1 C1 66.7(3) . . ?
C3' Co1 C3 21.2(4) . . ?
C5' Co1 C3 24.5(4) . . ?
C4' Co1 C3 59.4(4) . . ?
C5 Co1 C3 66.5(3) . . ?
C4 Co1 C3 39.52(16) . . ?
C1 Co1 C3 66.1(3) . . ?
C3' Co1 C1' 66.8(5) . . ?
C5' Co1 C1' 39.3(3) . . ?
C4' Co1 C1' 66.1(5) . . ?
C5 Co1 C1' 20.9(3) . . ?
C4 Co1 C1' 24.3(3) . . ?
C1 Co1 C1' 58.6(3) . . ?
C3 Co1 C1' 60.7(3) . . ?
C3' Co1 C2 18.0(4) . . ?
C5' Co1 C2 56.9(4) . . ?
C4' Co1 C2 27.6(4) . . ?
C5 Co1 C2 66.4(3) . . ?
C4 Co1 C2 66.2(3) . . ?
C1 Co1 C2 39.31(16) . . ?
C3 Co1 C2 39.13(15) . . ?
C1' Co1 C2 75.4(3) . . ?
C3' Co1 C2' 66.8(5) . . ?
C5' Co1 C2' 66.1(5) . . ?
C4' Co1 C2' 39.4(3) . . ?
C5 Co1 C2' 17.9(3) . . ?
C4 Co1 C2' 56.7(3) . . ?
C1 Co1 C2' 27.4(4) . . ?
C3 Co1 C2' 75.6(3) . . ?
C1' Co1 C2' 38.8(3) . . ?
C2 Co1 C2' 62.9(4) . . ?
C3' Co1 P1 95.2(4) . . ?
C5' Co1 P1 125.8(5) . . ?
C4' Co1 P1 100.2(4) . . ?
C5 Co1 P1 149.6(2) . . ?
C4 Co1 P1 141.5(3) . . ?
C1 Co1 P1 109.9(2) . . ?
C3 Co1 P1 102.6(2) . . ?
C1' Co1 P1 162.0(4) . . ?
C2 Co1 P1 87.15(19) . . ?
C2' Co1 P1 135.0(4) . . ?
C3' Co1 P2 120.9(5) . . ?
C5' Co1 P2 91.2(4) . . ?
C4' Co1 P2 158.5(4) . . ?
C5 Co1 P2 118.0(3) . . ?
C4 Co1 P2 90.7(2) . . ?
C1 Co1 P2 156.6(2) . . ?
C3 Co1 P2 100.5(2) . . ?
C1' Co1 P2 98.3(4) . . ?
C2 Co1 P2 137.3(2) . . ?
C2' Co1 P2 133.5(4) . . ?
P1 Co1 P2 91.36(5) . . ?
O11 Ho1 O10 90.35(11) . . ?
O11 Ho1 O6 106.16(12) . . ?
O10 Ho1 O6 163.11(11) . . ?
O11 Ho1 O9 82.80(11) . . ?
O10 Ho1 O9 96.48(12) . . ?
O6 Ho1 O9 82.38(11) . . ?
O11 Ho1 O3 158.37(11) . . ?
O10 Ho1 O3 84.62(11) . . ?
O6 Ho1 O3 78.70(11) . . ?
O9 Ho1 O3 76.90(11) . . ?
O11 Ho1 N1 123.60(11) . . ?
O10 Ho1 N1 73.99(11) . . ?
O6 Ho1 N1 98.91(12) . . ?
O9 Ho1 N1 151.13(12) . . ?
O3 Ho1 N1 75.12(11) . . ?
O11 Ho1 N2 73.38(11) . . ?
O10 Ho1 N2 113.53(11) . . ?
O6 Ho1 N2 75.61(11) . . ?
O9 Ho1 N2 141.17(12) . . ?
O3 Ho1 N2 127.81(11) . . ?
N1 Ho1 N2 65.19(12) . . ?
C18 N1 C33 120.7(4) . . ?
C18 N1 Ho1 128.2(3) . . ?
C33 N1 Ho1 110.0(3) . . ?
C25 N2 C32 119.6(4) . . ?
C25 N2 Ho1 130.5(3) . . ?
C32 N2 Ho1 109.6(2) . . ?
C6 O1 P1 118.2(4) . . ?
C8 O2 P1 122.7(3) . . ?
P1 O3 Ho1 135.60(18) . . ?
C10 O4 P2 125.9(4) . . ?
C12 O5 P2 119.6(4) . . ?
P2 O6 Ho1 137.01(17) . . ?
C14 O7 P3 127.3(4) . . ?
C16 O8 P3 125.4(4) . . ?
P3 O9 Ho1 135.51(19) . . ?
C24 O10 Ho1 133.9(3) . . ?
C31 O11 Ho1 143.2(3) . . ?
O3 P1 O1' 112.2(7) . . ?
O3 P1 O2 108.9(2) . . ?
O1' P1 O2 78.0(7) . . ?
O3 P1 O1 107.8(2) . . ?
O1' P1 O1 26.8(6) . . ?
O2 P1 O1 104.3(3) . . ?
O3 P1 Co1 120.42(14) . . ?
O1' P1 Co1 118.6(7) . . ?
O2 P1 Co1 110.22(16) . . ?
O1 P1 Co1 103.9(2) . . ?
O6 P2 O4 108.40(19) . . ?
O6 P2 O5 108.1(2) . . ?
O4 P2 O5 100.9(3) . . ?
O6 P2 Co1 119.46(13) . . ?
O4 P2 Co1 110.83(16) . . ?
O5 P2 Co1 107.55(15) . . ?
O9 P3 O7 108.2(2) . . ?
O9 P3 O8 108.6(2) . . ?
O7 P3 O8 100.3(3) . . ?
O9 P3 Co1 120.02(14) . . ?
O7 P3 Co1 111.2(2) . . ?
O8 P3 Co1 106.73(16) . . ?
C2' C1' C5' 108.0 . . ?
C2' C1' Co1 70.5(5) . . ?
C5' C1' Co1 68.0(5) . . ?
C2' C1' H1'A 126.0 . . ?
C5' C1' H1'A 126.0 . . ?
Co1 C1' H1'A 126.0 . . ?
C1' C2' C4' 108.0 . . ?
C1' C2' Co1 70.7(5) . . ?
C4' C2' Co1 67.8(5) . . ?
C1' C2' H2'A 126.0 . . ?
C4' C2' H2'A 126.0 . . ?
Co1 C2' H2'A 126.0 . . ?
C3' C4' C2' 108.0 . . ?
C3' C4' Co1 68.4(5) . . ?
C2' C4' Co1 72.8(5) . . ?
C3' C4' H4'A 126.0 . . ?
C2' C4' H4'A 126.0 . . ?
Co1 C4' H4'A 126.0 . . ?
C4' C3' C5' 108.0 . . ?
C4' C3' Co1 71.2(5) . . ?
C5' C3' Co1 71.5(5) . . ?
C4' C3' H3'A 125.9 . . ?
C5' C3' H3'A 125.9 . . ?
Co1 C3' H3'A 125.9 . . ?
C3' C5' C1' 108.0 . . ?
C3' C5' Co1 68.1(5) . . ?
C1' C5' Co1 72.7(5) . . ?
C3' C5' H5'A 126.0 . . ?
C1' C5' H5'A 126.0 . . ?
Co1 C5' H5'A 126.0 . . ?
C6 O1' P1 124.1(13) . . ?

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
C5 C1 C2 C3 0.0 . . . . ?
Co1 C1 C2 C3 -59.7(2) . . . . ?
C5 C1 C2 Co1 59.7(2) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
Co1 C2 C3 C4 -59.2(2) . . . . ?
C1 C2 C3 Co1 59.2(2) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
Co1 C3 C4 C5 -60.3(3) . . . . ?
C2 C3 C4 Co1 60.3(3) . . . . ?
C3 C4 C5 C1 0.0 . . . . ?
Co1 C4 C5 C1 -61.5(2) . . . . ?
C3 C4 C5 Co1 61.5(2) . . . . ?
C2 C1 C5 C4 0.0 . . . . ?
Co1 C1 C5 C4 61.1(2) . . . . ?
C2 C1 C5 Co1 -61.1(2) . . . . ?
N1 C18 C19 C20 172.7(4) . . . . ?
N1 C18 C19 C24 -10.7(7) . . . . ?
C24 C19 C20 C21 -0.2(7) . . . . ?
C18 C19 C20 C21 176.7(4) . . . . ?
C19 C20 C21 C22 -0.5(7) . . . . ?
C20 C21 C22 C23 0.2(8) . . . . ?
C21 C22 C23 C24 0.8(8) . . . . ?
C22 C23 C24 O10 179.5(4) . . . . ?
C22 C23 C24 C19 -1.3(7) . . . . ?
C20 C19 C24 O10 -179.8(4) . . . . ?
C18 C19 C24 O10 3.6(7) . . . . ?
C20 C19 C24 C23 1.0(6) . . . . ?
C18 C19 C24 C23 -175.5(4) . . . . ?
N2 C25 C26 C27 179.5(5) . . . . ?
N2 C25 C26 C31 1.1(8) . . . . ?
C25 C26 C27 C28 -178.1(5) . . . . ?
C31 C26 C27 C28 0.4(8) . . . . ?
C26 C27 C28 C29 0.3(9) . . . . ?
C27 C28 C29 C30 -0.6(9) . . . . ?
C28 C29 C30 C31 0.2(8) . . . . ?
C29 C30 C31 O11 -179.6(5) . . . . ?
C29 C30 C31 C26 0.4(7) . . . . ?
C27 C26 C31 O11 179.3(4) . . . . ?
C25 C26 C31 O11 -2.2(7) . . . . ?
C27 C26 C31 C30 -0.7(7) . . . . ?
C25 C26 C31 C30 177.7(4) . . . . ?
C34 C32 C33 C34 0.7(7) 3_676 . . . ?
N2 C32 C33 C34 177.5(4) . . . . ?
C34 C32 C33 N1 -178.1(4) 3_676 . . . ?
N2 C32 C33 N1 -1.4(5) . . . . ?
C32 C33 C34 C32 -0.7(7) . . . 3_676 ?
N1 C33 C34 C32 178.0(4) . . . 3_676 ?
C4 C5 Co1 C3' -60.8(5) . . . . ?
C1 C5 Co1 C3' 57.1(5) . . . . ?
C4 C5 Co1 C5' -14.9(6) . . . . ?
C1 C5 Co1 C5' 103.0(5) . . . . ?
C4 C5 Co1 C4' -106.6(6) . . . . ?
C1 C5 Co1 C4' 11.3(6) . . . . ?
C1 C5 Co1 C4 117.93(13) . . . . ?
C4 C5 Co1 C1 -117.93(13) . . . . ?
C4 C5 Co1 C3 -37.68(10) . . . . ?
C1 C5 Co1 C3 80.26(16) . . . . ?
C4 C5 Co1 C1' 31.4(13) . . . . ?
C1 C5 Co1 C1' 149.3(12) . . . . ?
C4 C5 Co1 C2 -80.53(15) . . . . ?
C1 C5 Co1 C2 37.41(10) . . . . ?
C4 C5 Co1 C2' -155.2(15) . . . . ?
C1 C5 Co1 C2' -37.3(15) . . . . ?
C4 C5 Co1 P1 -112.1(7) . . . . ?
C1 C5 Co1 P1 5.9(6) . . . . ?
C4 C5 Co1 P2 52.0(3) . . . . ?
C1 C5 Co1 P2 170.0(3) . . . . ?
C3 C4 Co1 C3' -24.1(6) . . . . ?
C5 C4 Co1 C3' 94.1(6) . . . . ?
C3 C4 Co1 C5' 13.7(17) . . . . ?
C5 C4 Co1 C5' 131.9(17) . . . . ?
C3 C4 Co1 C4' -66.9(4) . . . . ?
C5 C4 Co1 C4' 51.3(4) . . . . ?
C3 C4 Co1 C5 -118.21(15) . . . . ?
C3 C4 Co1 C1 -80.17(15) . . . . ?
C5 C4 Co1 C1 38.04(10) . . . . ?
C5 C4 Co1 C3 118.21(15) . . . . ?
C3 C4 Co1 C1' -145.1(10) . . . . ?
C5 C4 Co1 C1' -26.9(11) . . . . ?
C3 C4 Co1 C2 -37.12(9) . . . . ?
C5 C4 Co1 C2 81.10(17) . . . . ?
C3 C4 Co1 C2' -109.3(5) . . . . ?
C5 C4 Co1 C2' 8.9(5) . . . . ?
C3 C4 Co1 P1 12.9(5) . . . . ?
C5 C4 Co1 P1 131.1(5) . . . . ?
C3 C4 Co1 P2 105.9(3) . . . . ?
C5 C4 Co1 P2 -135.9(4) . . . . ?
C2 C1 Co1 C3' 21.3(6) . . . . ?
C5 C1 Co1 C3' -97.3(6) . . . . ?
C2 C1 Co1 C5' 63.5(4) . . . . ?
C5 C1 Co1 C5' -55.1(4) . . . . ?
C2 C1 Co1 C4' -18(2) . . . . ?
C5 C1 Co1 C4' -136(2) . . . . ?
C2 C1 Co1 C5 118.53(14) . . . . ?
C2 C1 Co1 C4 80.35(15) . . . . ?
C5 C1 Co1 C4 -38.17(10) . . . . ?
C2 C1 Co1 C3 37.06(9) . . . . ?
C5 C1 Co1 C3 -81.47(16) . . . . ?
C2 C1 Co1 C1' 106.2(4) . . . . ?
C5 C1 Co1 C1' -12.3(5) . . . . ?
C5 C1 Co1 C2 -118.53(14) . . . . ?
C2 C1 Co1 C2' 142.4(9) . . . . ?
C5 C1 Co1 C2' 23.9(10) . . . . ?
C2 C1 Co1 P1 -58.3(3) . . . . ?
C5 C1 Co1 P1 -176.8(3) . . . . ?
C2 C1 Co1 P2 95.7(8) . . . . ?
C5 C1 Co1 P2 -22.8(8) . . . . ?
C2 C3 Co1 C3' -2.2(14) . . . . ?
C4 C3 Co1 C3' 116.8(13) . . . . ?
C2 C3 Co1 C5' -127.9(11) . . . . ?
C4 C3 Co1 C5' -8.9(11) . . . . ?
C2 C3 Co1 C4' -25.4(5) . . . . ?
C4 C3 Co1 C4' 93.6(5) . . . . ?
C2 C3 Co1 C5 -80.89(17) . . . . ?
C4 C3 Co1 C5 38.10(10) . . . . ?
C2 C3 Co1 C4 -118.99(15) . . . . ?
C2 C3 Co1 C1 -37.22(10) . . . . ?
C4 C3 Co1 C1 81.77(16) . . . . ?
C2 C3 Co1 C1' -103.4(4) . . . . ?
C4 C3 Co1 C1' 15.6(4) . . . . ?
C4 C3 Co1 C2 118.99(15) . . . . ?
C2 C3 Co1 C2' -64.5(4) . . . . ?
C4 C3 Co1 C2' 54.5(3) . . . . ?
C2 C3 Co1 P1 69.2(3) . . . . ?
C4 C3 Co1 P1 -171.8(3) . . . . ?
C2 C3 Co1 P2 163.0(3) . . . . ?
C4 C3 Co1 P2 -78.0(3) . . . . ?
C3 C2 Co1 C3' 2.5(16) . . . . ?
C1 C2 Co1 C3' -116.7(16) . . . . ?
C3 C2 Co1 C5' 22.9(5) . . . . ?
C1 C2 Co1 C5' -96.3(5) . . . . ?
C3 C2 Co1 C4' 127.4(10) . . . . ?
C1 C2 Co1 C4' 8.2(11) . . . . ?
C3 C2 Co1 C5 81.30(17) . . . . ?
C1 C2 Co1 C5 -37.89(10) . . . . ?
C3 C2 Co1 C4 37.47(10) . . . . ?
C1 C2 Co1 C4 -81.72(16) . . . . ?
C3 C2 Co1 C1 119.19(14) . . . . ?
C1 C2 Co1 C3 -119.19(14) . . . . ?
C3 C2 Co1 C1' 61.3(3) . . . . ?
C1 C2 Co1 C1' -57.9(3) . . . . ?
C3 C2 Co1 C2' 100.8(4) . . . . ?
C1 C2 Co1 C2' -18.4(4) . . . . ?
C3 C2 Co1 P1 -114.1(4) . . . . ?
C1 C2 Co1 P1 126.8(4) . . . . ?
C3 C2 Co1 P2 -25.1(4) . . . . ?
C1 C2 Co1 P2 -144.3(4) . . . . ?
C19 C18 N1 C33 -179.4(4) . . . . ?
C19 C18 N1 Ho1 -12.7(6) . . . . ?
C34 C33 N1 C18 27.2(6) . . . . ?
C32 C33 N1 C18 -154.1(4) . . . . ?
C34 C33 N1 Ho1 -141.8(3) . . . . ?
C32 C33 N1 Ho1 37.0(4) . . . . ?
O11 Ho1 N1 C18 106.5(4) . . . . ?
O10 Ho1 N1 C18 27.0(3) . . . . ?
O6 Ho1 N1 C18 -137.3(4) . . . . ?
O9 Ho1 N1 C18 -46.9(5) . . . . ?
O3 Ho1 N1 C18 -61.6(4) . . . . ?
N2 Ho1 N1 C18 153.2(4) . . . . ?
O11 Ho1 N1 C33 -85.6(3) . . . . ?
O10 Ho1 N1 C33 -165.1(3) . . . . ?
O6 Ho1 N1 C33 30.6(3) . . . . ?
O9 Ho1 N1 C33 121.0(3) . . . . ?
O3 Ho1 N1 C33 106.3(3) . . . . ?
N2 Ho1 N1 C33 -38.9(3) . . . . ?
C26 C25 N2 C32 178.8(4) . . . . ?
C26 C25 N2 Ho1 5.6(7) . . . . ?
C34 C32 N2 C25 -32.3(6) 3_676 . . . ?
C33 C32 N2 C25 151.1(4) . . . . ?
C34 C32 N2 Ho1 142.2(4) 3_676 . . . ?
C33 C32 N2 Ho1 -34.4(4) . . . . ?
O11 Ho1 N2 C25 -7.5(4) . . . . ?
O10 Ho1 N2 C25 -90.4(4) . . . . ?
O6 Ho1 N2 C25 104.6(4) . . . . ?
O9 Ho1 N2 C25 47.1(5) . . . . ?
O3 Ho1 N2 C25 167.5(4) . . . . ?
N1 Ho1 N2 C25 -148.2(4) . . . . ?
O11 Ho1 N2 C32 178.8(3) . . . . ?
O10 Ho1 N2 C32 95.9(3) . . . . ?
O6 Ho1 N2 C32 -69.1(3) . . . . ?
O9 Ho1 N2 C32 -126.6(3) . . . . ?
O3 Ho1 N2 C32 -6.1(3) . . . . ?
N1 Ho1 N2 C32 38.1(3) . . . . ?
O1' C6 O1 P1 55.0(17) . . . . ?
C7 C6 O1 P1 -171.4(4) . . . . ?
C9 C8 O2 P1 -97.6(5) . . . . ?
O11 Ho1 O3 P1 62.1(5) . . . . ?
O10 Ho1 O3 P1 139.3(3) . . . . ?
O6 Ho1 O3 P1 -43.4(3) . . . . ?
O9 Ho1 O3 P1 41.4(3) . . . . ?
N1 Ho1 O3 P1 -145.9(3) . . . . ?
N2 Ho1 O3 P1 -104.9(3) . . . . ?
C11 C10 O4 P2 -170.7(6) . . . . ?
C13 C12 O5 P2 178.6(5) . . . . ?
O11 Ho1 O6 P2 -118.1(3) . . . . ?
O10 Ho1 O6 P2 49.3(6) . . . . ?
O9 Ho1 O6 P2 -37.9(3) . . . . ?
O3 Ho1 O6 P2 40.1(3) . . . . ?
N1 Ho1 O6 P2 112.9(3) . . . . ?
N2 Ho1 O6 P2 174.3(3) . . . . ?
C15 C14 O7 P3 -79.2(10) . . . . ?
C17 C16 O8 P3 92.4(7) . . . . ?
O11 Ho1 O9 P3 133.1(3) . . . . ?
O10 Ho1 O9 P3 -137.4(3) . . . . ?
O6 Ho1 O9 P3 25.6(3) . . . . ?
O3 Ho1 O9 P3 -54.5(3) . . . . ?
N1 Ho1 O9 P3 -69.0(4) . . . . ?
N2 Ho1 O9 P3 81.2(3) . . . . ?
C23 C24 O10 Ho1 -149.1(3) . . . . ?
C19 C24 O10 Ho1 31.8(6) . . . . ?
O11 Ho1 O10 C24 -162.7(4) . . . . ?
O6 Ho1 O10 C24 29.4(6) . . . . ?
O9 Ho1 O10 C24 114.5(4) . . . . ?
O3 Ho1 O10 C24 38.4(4) . . . . ?
N1 Ho1 O10 C24 -37.7(3) . . . . ?
N2 Ho1 O10 C24 -90.7(4) . . . . ?
C30 C31 O11 Ho1 174.7(3) . . . . ?
C26 C31 O11 Ho1 -5.4(8) . . . . ?
O10 Ho1 O11 C31 122.6(5) . . . . ?
O6 Ho1 O11 C31 -61.0(5) . . . . ?
O9 Ho1 O11 C31 -140.9(5) . . . . ?
O3 Ho1 O11 C31 -161.2(4) . . . . ?
N1 Ho1 O11 C31 51.7(5) . . . . ?
N2 Ho1 O11 C31 8.1(5) . . . . ?
Ho1 O3 P1 O1' 150.4(8) . . . . ?
Ho1 O3 P1 O2 -125.1(3) . . . . ?
Ho1 O3 P1 O1 122.3(3) . . . . ?
Ho1 O3 P1 Co1 3.5(3) . . . . ?
C8 O2 P1 O3 17.7(5) . . . . ?
C8 O2 P1 O1' 127.2(9) . . . . ?
C8 O2 P1 O1 132.5(5) . . . . ?
C8 O2 P1 Co1 -116.5(4) . . . . ?
C6 O1 P1 O3 41.7(5) . . . . ?
C6 O1 P1 O1' -62.5(17) . . . . ?
C6 O1 P1 O2 -74.0(5) . . . . ?
C6 O1 P1 Co1 170.5(4) . . . . ?
C3' Co1 P1 O3 166.2(5) . . . . ?
C5' Co1 P1 O3 137.5(5) . . . . ?
C4' Co1 P1 O3 -153.2(5) . . . . ?
C5 Co1 P1 O3 -149.0(5) . . . . ?
C4 Co1 P1 O3 137.8(4) . . . . ?
C1 Co1 P1 O3 -145.0(3) . . . . ?
C3 Co1 P1 O3 146.1(3) . . . . ?
C1' Co1 P1 O3 167.6(14) . . . . ?
C2 Co1 P1 O3 -177.7(3) . . . . ?
C2' Co1 P1 O3 -131.7(5) . . . . ?
P2 Co1 P1 O3 45.00(17) . . . . ?
C3' Co1 P1 O1' 21.3(10) . . . . ?
C5' Co1 P1 O1' -7.4(9) . . . . ?
C4' Co1 P1 O1' 61.9(9) . . . . ?
C5 Co1 P1 O1' 66.1(9) . . . . ?
C4 Co1 P1 O1' -7.1(9) . . . . ?
C1 Co1 P1 O1' 70.1(8) . . . . ?
C3 Co1 P1 O1' 1.2(8) . . . . ?
C1' Co1 P1 O1' 22.7(17) . . . . ?
C2 Co1 P1 O1' 37.4(8) . . . . ?
C2' Co1 P1 O1' 83.4(10) . . . . ?
P2 Co1 P1 O1' -99.9(8) . . . . ?
C3' Co1 P1 O2 -65.8(6) . . . . ?
C5' Co1 P1 O2 -94.5(5) . . . . ?
C4' Co1 P1 O2 -25.2(5) . . . . ?
C5 Co1 P1 O2 -21.0(5) . . . . ?
C4 Co1 P1 O2 -94.2(4) . . . . ?
C1 Co1 P1 O2 -17.0(3) . . . . ?
C3 Co1 P1 O2 -85.8(3) . . . . ?
C1' Co1 P1 O2 -64.4(14) . . . . ?
C2 Co1 P1 O2 -49.6(3) . . . . ?
C2' Co1 P1 O2 -3.6(6) . . . . ?
P2 Co1 P1 O2 173.0(2) . . . . ?
C3' Co1 P1 O1 45.5(6) . . . . ?
C5' Co1 P1 O1 16.8(5) . . . . ?
C4' Co1 P1 O1 86.1(5) . . . . ?
C5 Co1 P1 O1 90.3(5) . . . . ?
C4 Co1 P1 O1 17.1(4) . . . . ?
C1 Co1 P1 O1 94.3(3) . . . . ?
C3 Co1 P1 O1 25.4(3) . . . . ?
C1' Co1 P1 O1 46.9(15) . . . . ?
C2 Co1 P1 O1 61.6(3) . . . . ?
C2' Co1 P1 O1 107.6(6) . . . . ?
P2 Co1 P1 O1 -75.7(2) . . . . ?
Ho1 O6 P2 O4 -125.9(3) . . . . ?
Ho1 O6 P2 O5 125.5(3) . . . . ?
Ho1 O6 P2 Co1 2.2(4) . . . . ?
C10 O4 P2 O6 1.3(6) . . . . ?
C10 O4 P2 O5 114.7(6) . . . . ?
C10 O4 P2 Co1 -131.6(5) . . . . ?
C12 O5 P2 O6 41.1(5) . . . . ?
C12 O5 P2 O4 -72.5(5) . . . . ?
C12 O5 P2 Co1 171.4(5) . . . . ?
C3' Co1 P2 O6 -144.6(5) . . . . ?
C5' Co1 P2 O6 -173.6(6) . . . . ?
C4' Co1 P2 O6 -170.6(13) . . . . ?
C5 Co1 P2 O6 140.3(3) . . . . ?
C4 Co1 P2 O6 170.7(3) . . . . ?
C1 Co1 P2 O6 156.6(6) . . . . ?
C3 Co1 P2 O6 -150.8(3) . . . . ?
C1' Co1 P2 O6 147.6(5) . . . . ?
C2 Co1 P2 O6 -135.0(3) . . . . ?
C2' Co1 P2 O6 129.1(5) . . . . ?
P1 Co1 P2 O6 -47.70(17) . . . . ?
C3' Co1 P2 O4 -17.5(5) . . . . ?
C5' Co1 P2 O4 -46.5(6) . . . . ?
C4' Co1 P2 O4 -43.6(13) . . . . ?
C5 Co1 P2 O4 -92.7(3) . . . . ?
C4 Co1 P2 O4 -62.2(3) . . . . ?
C1 Co1 P2 O4 -76.3(6) . . . . ?
C3 Co1 P2 O4 -23.7(3) . . . . ?
C1' Co1 P2 O4 -85.3(5) . . . . ?
C2 Co1 P2 O4 -7.9(3) . . . . ?
C2' Co1 P2 O4 -103.9(5) . . . . ?
P1 Co1 P2 O4 79.37(19) . . . . ?
C3' Co1 P2 O5 91.9(5) . . . . ?
C5' Co1 P2 O5 62.9(6) . . . . ?
C4' Co1 P2 O5 65.8(13) . . . . ?
C5 Co1 P2 O5 16.7(3) . . . . ?
C4 Co1 P2 O5 47.2(3) . . . . ?
C1 Co1 P2 O5 33.1(6) . . . . ?
C3 Co1 P2 O5 85.7(3) . . . . ?
C1' Co1 P2 O5 24.0(5) . . . . ?
C2 Co1 P2 O5 101.5(3) . . . . ?
C2' Co1 P2 O5 5.5(5) . . . . ?
P1 Co1 P2 O5 -171.24(18) . . . . ?
Ho1 O9 P3 O7 -110.5(3) . . . . ?
Ho1 O9 P3 O8 141.5(3) . . . . ?
Ho1 O9 P3 Co1 18.4(4) . . . . ?
C14 O7 P3 O9 18.4(7) . . . . ?
C14 O7 P3 O8 132.0(6) . . . . ?
C14 O7 P3 Co1 -115.4(6) . . . . ?
C16 O8 P3 O9 16.5(6) . . . . ?
C16 O8 P3 O7 -96.8(6) . . . . ?
C16 O8 P3 Co1 147.2(5) . . . . ?
C3' Co1 P3 O9 139.4(8) . . . . ?
C5' Co1 P3 O9 -148.3(7) . . . . ?
C4' Co1 P3 O9 138.9(5) . . . . ?
C5 Co1 P3 O9 -172.0(3) . . . . ?
C4 Co1 P3 O9 -146.0(3) . . . . ?
C1 Co1 P3 O9 148.1(3) . . . . ?
C3 Co1 P3 O9 175.3(7) . . . . ?
C1' Co1 P3 O9 -152.6(4) . . . . ?
C2 Co1 P3 O9 125.3(3) . . . . ?
C2' Co1 P3 O9 172.9(5) . . . . ?
P1 Co1 P3 O9 37.81(18) . . . . ?
P2 Co1 P3 O9 -53.61(19) . . . . ?
C3' Co1 P3 O7 -93.0(9) . . . . ?
C5' Co1 P3 O7 -20.7(7) . . . . ?
C4' Co1 P3 O7 -93.6(5) . . . . ?
C5 Co1 P3 O7 -44.4(3) . . . . ?
C4 Co1 P3 O7 -18.4(3) . . . . ?
C1 Co1 P3 O7 -84.4(3) . . . . ?
C3 Co1 P3 O7 -57.1(8) . . . . ?
C1' Co1 P3 O7 -25.0(4) . . . . ?
C2 Co1 P3 O7 -107.1(3) . . . . ?
C2' Co1 P3 O7 -59.5(5) . . . . ?
P1 Co1 P3 O7 165.4(2) . . . . ?
P2 Co1 P3 O7 74.0(2) . . . . ?
C3' Co1 P3 O8 15.4(9) . . . . ?
C5' Co1 P3 O8 87.7(7) . . . . ?
C4' Co1 P3 O8 14.9(5) . . . . ?
C5 Co1 P3 O8 64.0(3) . . . . ?
C4 Co1 P3 O8 90.0(3) . . . . ?
C1 Co1 P3 O8 24.1(3) . . . . ?
C3 Co1 P3 O8 51.3(8) . . . . ?
C1' Co1 P3 O8 83.4(4) . . . . ?
C2 Co1 P3 O8 1.3(3) . . . . ?
C2' Co1 P3 O8 48.9(5) . . . . ?
P1 Co1 P3 O8 -86.2(2) . . . . ?
P2 Co1 P3 O8 -177.6(2) . . . . ?
C3' Co1 C1' C2' 81.4(4) . . . . ?
C5' Co1 C1' C2' 119.8(3) . . . . ?
C4' Co1 C1' C2' 37.1(2) . . . . ?
C5 Co1 C1' C2' 3.3(12) . . . . ?
C4 Co1 C1' C2' 128.7(11) . . . . ?
C1 Co1 C1' C2' 25.8(5) . . . . ?
C3 Co1 C1' C2' 104.1(5) . . . . ?
C2 Co1 C1' C2' 64.7(5) . . . . ?
P1 Co1 C1' C2' 80.0(19) . . . . ?
P2 Co1 C1' C2' -158.4(6) . . . . ?
C3' Co1 C1' C5' -38.4(2) . . . . ?
C4' Co1 C1' C5' -82.7(4) . . . . ?
C5 Co1 C1' C5' -116.6(12) . . . . ?
C4 Co1 C1' C5' 8.9(11) . . . . ?
C1 Co1 C1' C5' -94.1(5) . . . . ?
C3 Co1 C1' C5' -15.7(5) . . . . ?
C2 Co1 C1' C5' -55.1(5) . . . . ?
C2' Co1 C1' C5' -119.8(3) . . . . ?
P1 Co1 C1' C5' -39.9(19) . . . . ?
P2 Co1 C1' C5' 81.7(6) . . . . ?
C5' C1' C2' C4' 0.0 . . . . ?
Co1 C1' C2' C4' -57.7(5) . . . . ?
C5' C1' C2' Co1 57.7(5) . . . . ?
C3' Co1 C2' C1' -81.2(4) . . . . ?
C5' Co1 C2' C1' -37.0(2) . . . . ?
C4' Co1 C2' C1' -119.7(3) . . . . ?
C5 Co1 C2' C1' -3.8(14) . . . . ?
C4 Co1 C2' C1' -22.6(5) . . . . ?
C1 Co1 C2' C1' -126.4(10) . . . . ?
C3 Co1 C2' C1' -60.9(5) . . . . ?
C2 Co1 C2' C1' -100.7(5) . . . . ?
P1 Co1 C2' C1' -154.5(8) . . . . ?
P2 Co1 C2' C1' 30.1(7) . . . . ?
C3' Co1 C2' C4' 38.5(2) . . . . ?
C5' Co1 C2' C4' 82.8(4) . . . . ?
C5 Co1 C2' C4' 116.0(14) . . . . ?
C4 Co1 C2' C4' 97.2(5) . . . . ?
C1 Co1 C2' C4' -6.6(11) . . . . ?
C3 Co1 C2' C4' 58.9(5) . . . . ?
C1' Co1 C2' C4' 119.7(3) . . . . ?
C2 Co1 C2' C4' 19.1(6) . . . . ?
P1 Co1 C2' C4' -34.7(7) . . . . ?
P2 Co1 C2' C4' 149.9(8) . . . . ?
C1' C2' C4' C3' 0.0 . . . . ?
Co1 C2' C4' C3' -59.5(5) . . . . ?
C1' C2' C4' Co1 59.5(5) . . . . ?
C5' Co1 C4' C3' 38.6(2) . . . . ?
C5 Co1 C4' C3' 96.8(5) . . . . ?
C4 Co1 C4' C3' 55.5(4) . . . . ?
C1 Co1 C4' C3' 132(2) . . . . ?
C3 Co1 C4' C3' 12.7(6) . . . . ?
C1' Co1 C4' C3' 81.6(3) . . . . ?
C2 Co1 C4' C3' -23.0(11) . . . . ?
C2' Co1 C4' C3' 118.1(3) . . . . ?
P1 Co1 C4' C3' -86.0(7) . . . . ?
P2 Co1 C4' C3' 35.5(18) . . . . ?
C3' Co1 C4' C2' -118.1(3) . . . . ?
C5' Co1 C4' C2' -79.5(3) . . . . ?
C5 Co1 C4' C2' -21.3(5) . . . . ?
C4 Co1 C4' C2' -62.6(4) . . . . ?
C1 Co1 C4' C2' 14(2) . . . . ?
C3 Co1 C4' C2' -105.5(5) . . . . ?
C1' Co1 C4' C2' -36.5(2) . . . . ?
C2 Co1 C4' C2' -141.1(11) . . . . ?
P1 Co1 C4' C2' 155.8(6) . . . . ?
P2 Co1 C4' C2' -82.6(18) . . . . ?
C2' C4' C3' C5' 0.0 . . . . ?
Co1 C4' C3' C5' -62.3(5) . . . . ?
C2' C4' C3' Co1 62.3(5) . . . . ?
C5' Co1 C3' C4' -117.3(3) . . . . ?
C5 Co1 C3' C4' -57.0(4) . . . . ?
C4 Co1 C3' C4' -102.4(4) . . . . ?
C1 Co1 C3' C4' -12.1(6) . . . . ?
C3 Co1 C3' C4' -148.5(13) . . . . ?
C1' Co1 C3' C4' -79.9(3) . . . . ?
C2 Co1 C3' C4' 35.9(17) . . . . ?
C2' Co1 C3' C4' -37.5(2) . . . . ?
P1 Co1 C3' C4' 99.6(7) . . . . ?
P2 Co1 C3' C4' -165.6(7) . . . . ?
C4' Co1 C3' C5' 117.3(3) . . . . ?
C5 Co1 C3' C5' 60.3(4) . . . . ?
C4 Co1 C3' C5' 14.9(5) . . . . ?
C1 Co1 C3' C5' 105.2(5) . . . . ?
C3 Co1 C3' C5' -31.2(14) . . . . ?
C1' Co1 C3' C5' 37.4(2) . . . . ?
C2 Co1 C3' C5' 153.2(16) . . . . ?
C2' Co1 C3' C5' 79.8(3) . . . . ?
P1 Co1 C3' C5' -143.0(7) . . . . ?
P2 Co1 C3' C5' -48.3(6) . . . . ?
C4' C3' C5' C1' 0.0 . . . . ?
Co1 C3' C5' C1' -62.2(5) . . . . ?
C4' C3' C5' Co1 62.2(5) . . . . ?
C2' C1' C5' C3' 0.0 . . . . ?
Co1 C1' C5' C3' 59.3(6) . . . . ?
C2' C1' C5' Co1 -59.3(6) . . . . ?
C4' Co1 C5' C3' -38.7(2) . . . . ?
C5 Co1 C5' C3' -94.2(5) . . . . ?
C4 Co1 C5' C3' -131.8(16) . . . . ?
C1 Co1 C5' C3' -52.1(5) . . . . ?
C3 Co1 C5' C3' 26.9(12) . . . . ?
C1' Co1 C5' C3' -118.3(3) . . . . ?
C2 Co1 C5' C3' -9.6(6) . . . . ?
C2' Co1 C5' C3' -81.8(4) . . . . ?
P1 Co1 C5' C3' 47.6(6) . . . . ?
P2 Co1 C5' C3' 140.1(7) . . . . ?
C3' Co1 C5' C1' 118.3(3) . . . . ?
C4' Co1 C5' C1' 79.6(3) . . . . ?
C5 Co1 C5' C1' 24.1(5) . . . . ?
C4 Co1 C5' C1' -13.5(17) . . . . ?
C1 Co1 C5' C1' 66.1(4) . . . . ?
C3 Co1 C5' C1' 145.1(11) . . . . ?
C2 Co1 C5' C1' 108.7(5) . . . . ?
C2' Co1 C5' C1' 36.5(2) . . . . ?
P1 Co1 C5' C1' 165.8(6) . . . . ?
P2 Co1 C5' C1' -101.6(6) . . . . ?
O1 C6 O1' P1 -73.4(18) . . . . ?
C7 C6 O1' P1 -130.8(12) . . . . ?
O3 P1 O1' C6 -20.8(17) . . . . ?
O2 P1 O1' C6 -126.5(15) . . . . ?
O1 P1 O1' C6 64.9(17) . . . . ?
Co1 P1 O1' C6 126.8(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.923
_refine_diff_density_min         -1.117
_refine_diff_density_rms         0.103
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1403113'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C74 H92 Cl4 Co2 Dy2 N4 O22 P6'
_chemical_formula_sum            'C74 H92 Cl4 Co2 Dy2 N4 O22 P6'
_chemical_formula_weight         2160.00

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.2901(12)
_cell_length_b                   18.5029(15)
_cell_length_c                   18.8088(10)
_cell_angle_alpha                68.3380(10)
_cell_angle_beta                 83.0610(10)
_cell_angle_gamma                73.829(2)
_cell_volume                     5369.9(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    6106
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      21.22

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2168
_exptl_absorpt_coefficient_mu    1.925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6147
_exptl_absorpt_correction_T_max  0.6767
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            44171
_diffrn_reflns_av_R_equivalents  0.0788
_diffrn_reflns_av_sigmaI/netI    0.0874
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.17
_diffrn_reflns_theta_max         26.00
_reflns_number_total             21095
_reflns_number_gt                13838
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 -0.190 0.190 1246 30 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.07P)²+1.88P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         21095
_refine_ls_number_parameters     1039
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0580
_refine_ls_wR_factor_ref         0.1500
_refine_ls_wR_factor_gt          0.1483
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7558(5) -0.0589(4) 0.4971(5) 0.086(2) Uani 1 1 d . . .
H1 H 0.7066 -0.0780 0.5114 0.103 Uiso 1 1 calc R . .
C2 C 0.8020(5) -0.0429(4) 0.5456(5) 0.087(2) Uani 1 1 d . . .
H2 H 0.7891 -0.0475 0.5990 0.104 Uiso 1 1 calc R . .
C3 C 0.8706(5) -0.0213(4) 0.5029(4) 0.0749(19) Uani 1 1 d . . .
H3 H 0.9117 -0.0059 0.5216 0.090 Uiso 1 1 calc R . .
C4 C 0.8705(4) -0.0248(4) 0.4296(4) 0.0713(18) Uani 1 1 d . . .
H4 H 0.9109 -0.0131 0.3886 0.086 Uiso 1 1 calc R . .
C5 C 0.7983(5) -0.0469(4) 0.4262(4) 0.0746(19) Uani 1 1 d . . .
H5 H 0.7817 -0.0543 0.3819 0.089 Uiso 1 1 calc R . .
C6 C 0.6391(5) 0.1065(4) 0.6411(4) 0.072(2) Uani 1 1 d . . .
H6A H 0.5875 0.0935 0.6471 0.087 Uiso 1 1 calc R . .
H6B H 0.6307 0.1631 0.6326 0.087 Uiso 1 1 calc R . .
C7 C 0.6935(5) 0.0529(5) 0.7088(4) 0.081(2) Uani 1 1 d . . .
H7A H 0.6721 0.0080 0.7388 0.121 Uiso 1 1 calc R . .
H7B H 0.6961 0.0833 0.7399 0.121 Uiso 1 1 calc R . .
H7C H 0.7466 0.0338 0.6903 0.121 Uiso 1 1 calc R . .
C8 C 0.4933(4) 0.1226(4) 0.4940(4) 0.076(2) Uani 1 1 d . . .
H8A H 0.4906 0.1692 0.5072 0.091 Uiso 1 1 calc R . .
H8B H 0.4662 0.0878 0.5348 0.091 Uiso 1 1 calc R . .
C9 C 0.4468(5) 0.1508(4) 0.4216(4) 0.076(2) Uani 1 1 d . . .
H9A H 0.4667 0.1926 0.3827 0.115 Uiso 1 1 calc R . .
H9B H 0.3907 0.1711 0.4315 0.115 Uiso 1 1 calc R . .
H9C H 0.4534 0.1066 0.4044 0.115 Uiso 1 1 calc R . .
C10 C 0.8481(5) 0.2157(5) 0.5372(4) 0.079(2) Uani 1 1 d . . .
H10A H 0.8172 0.2345 0.5764 0.095 Uiso 1 1 calc R . .
H10B H 0.8485 0.2623 0.4913 0.095 Uiso 1 1 calc R . .
C11 C 0.9309(5) 0.1754(5) 0.5628(5) 0.092(3) Uani 1 1 d . . .
H11A H 0.9308 0.1303 0.6092 0.138 Uiso 1 1 calc R . .
H11B H 0.9544 0.2124 0.5720 0.138 Uiso 1 1 calc R . .
H11C H 0.9620 0.1571 0.5240 0.138 Uiso 1 1 calc R . .
C12 C 0.9432(5) 0.2056(5) 0.3702(4) 0.081(2) Uani 1 1 d . . .
H12A H 0.9590 0.2196 0.4102 0.097 Uiso 1 1 calc R . .
H12B H 0.9066 0.2526 0.3365 0.097 Uiso 1 1 calc R . .
C13 C 1.0174(4) 0.1761(5) 0.3252(4) 0.081(2) Uani 1 1 d . . .
H13A H 1.0617 0.1467 0.3592 0.121 Uiso 1 1 calc R . .
H13B H 1.0313 0.2214 0.2857 0.121 Uiso 1 1 calc R . .
H13C H 1.0056 0.1417 0.3025 0.121 Uiso 1 1 calc R . .
C14 C 0.7996(5) 0.1882(4) 0.2166(4) 0.075(2) Uani 1 1 d . . .
H14A H 0.8108 0.2194 0.2440 0.090 Uiso 1 1 calc R . .
H14B H 0.7500 0.2191 0.1894 0.090 Uiso 1 1 calc R . .
C15 C 0.8655(4) 0.1834(5) 0.1577(4) 0.076(2) Uani 1 1 d . . .
H15D H 0.8917 0.1281 0.1656 0.114 Uiso 1 1 calc R . .
H15E H 0.9040 0.2101 0.1621 0.114 Uiso 1 1 calc R . .
H15F H 0.8430 0.2090 0.1075 0.114 Uiso 1 1 calc R . .
C16 C 0.6103(4) 0.0912(4) 0.2635(4) 0.0651(17) Uani 1 1 d . . .
H16A H 0.6396 0.1075 0.2153 0.078 Uiso 1 1 calc R . .
H16B H 0.5688 0.1382 0.2654 0.078 Uiso 1 1 calc R . .
C17 C 0.5702(5) 0.0309(4) 0.2624(4) 0.0708(19) Uani 1 1 d . . .
H17A H 0.6022 0.0005 0.2326 0.106 Uiso 1 1 calc R . .
H17B H 0.5181 0.0575 0.2402 0.106 Uiso 1 1 calc R . .
H17C H 0.5643 -0.0047 0.3138 0.106 Uiso 1 1 calc R . .
C18 C 1.0962(5) 0.0567(4) -0.2036(4) 0.076(2) Uani 1 1 d . . .
H18 H 1.0718 0.0816 -0.2541 0.092 Uiso 1 1 calc R . .
C19 C 1.0538(5) 0.0406(4) -0.1310(4) 0.0722(19) Uani 1 1 d . . .
H19 H 0.9952 0.0546 -0.1231 0.087 Uiso 1 1 calc R . .
C20 C 1.1126(4) 0.0051(4) -0.0725(4) 0.0694(18) Uani 1 1 d . . .
H20 H 1.1018 -0.0130 -0.0172 0.083 Uiso 1 1 calc R . .
C21 C 1.1891(4) -0.0022(4) -0.1088(4) 0.0688(18) Uani 1 1 d . . .
H21 H 1.2405 -0.0289 -0.0824 0.083 Uiso 1 1 calc R . .
C22 C 1.1803(5) 0.0293(4) -0.1887(4) 0.0719(19) Uani 1 1 d . . .
H22 H 1.2239 0.0283 -0.2270 0.086 Uiso 1 1 calc R . .
C23 C 0.9054(5) 0.2311(5) -0.0570(5) 0.094(3) Uani 1 1 d . . .
H23A H 0.8947 0.2870 -0.0906 0.113 Uiso 1 1 calc R . .
H23B H 0.9382 0.2258 -0.0161 0.113 Uiso 1 1 calc R . .
C24 C 0.8285(5) 0.2175(6) -0.0221(5) 0.106(3) Uani 1 1 d . . .
H24A H 0.8058 0.2540 0.0048 0.159 Uiso 1 1 calc R . .
H24B H 0.8366 0.1632 0.0131 0.159 Uiso 1 1 calc R . .
H24C H 0.7925 0.2264 -0.0612 0.159 Uiso 1 1 calc R . .
C25 C 0.9780(6) 0.3300(5) -0.2946(4) 0.093(2) Uani 1 1 d . . .
H25A H 0.9215 0.3512 -0.2847 0.111 Uiso 1 1 calc R . .
H25B H 1.0082 0.3582 -0.2785 0.111 Uiso 1 1 calc R . .
C26 C 0.9899(5) 0.3496(5) -0.3768(4) 0.095(3) Uani 1 1 d . . .
H26A H 1.0243 0.3038 -0.3870 0.142 Uiso 1 1 calc R . .
H26B H 1.0145 0.3939 -0.3974 0.142 Uiso 1 1 calc R . .
H26C H 0.9389 0.3641 -0.4003 0.142 Uiso 1 1 calc R . .
C27 C 1.3225(5) 0.0982(6) -0.0093(5) 0.091(2) Uani 1 1 d . . .
H27A H 1.3186 0.1547 -0.0205 0.110 Uiso 1 1 calc R . .
H27B H 1.3641 0.0786 -0.0420 0.110 Uiso 1 1 calc R . .
C28 C 1.3408(5) 0.0494(5) 0.0752(5) 0.091(2) Uani 1 1 d . . .
H28A H 1.3031 0.0743 0.1065 0.137 Uiso 1 1 calc R . .
H28B H 1.3945 0.0477 0.0852 0.137 Uiso 1 1 calc R . .
H28C H 1.3361 -0.0043 0.0868 0.137 Uiso 1 1 calc R . .
C29 C 1.0932(5) 0.1665(5) 0.0647(5) 0.089(2) Uani 1 1 d . . .
H29A H 1.0471 0.2116 0.0453 0.107 Uiso 1 1 calc R . .
H29B H 1.1390 0.1884 0.0608 0.107 Uiso 1 1 calc R . .
C30 C 1.0776(5) 0.1252(5) 0.1460(4) 0.083(2) Uani 1 1 d . . .
H30A H 1.0914 0.0682 0.1570 0.125 Uiso 1 1 calc R . .
H30B H 1.0216 0.1431 0.1579 0.125 Uiso 1 1 calc R . .
H30C H 1.1096 0.1372 0.1764 0.125 Uiso 1 1 calc R . .
C31 C 1.3453(5) 0.2055(5) -0.2046(4) 0.088(2) Uani 1 1 d . . .
H31A H 1.3377 0.2179 -0.1580 0.105 Uiso 1 1 calc R . .
H31B H 1.3264 0.2555 -0.2467 0.105 Uiso 1 1 calc R . .
C32 C 1.4348(5) 0.1730(6) -0.2168(6) 0.115(3) Uani 1 1 d . . .
H32A H 1.4579 0.1347 -0.1694 0.172 Uiso 1 1 calc R . .
H32B H 1.4605 0.2165 -0.2348 0.172 Uiso 1 1 calc R . .
H32C H 1.4424 0.1474 -0.2541 0.172 Uiso 1 1 calc R . .
C33 C 1.2205(5) 0.2411(5) -0.3770(4) 0.082(2) Uani 1 1 d . . .
H33A H 1.2250 0.2885 -0.3688 0.098 Uiso 1 1 calc R . .
H33B H 1.1772 0.2581 -0.4126 0.098 Uiso 1 1 calc R . .
C34 C 1.2981(5) 0.2096(5) -0.4153(5) 0.093(2) Uani 1 1 d . . .
H34A H 1.3237 0.1561 -0.3831 0.140 Uiso 1 1 calc R . .
H34B H 1.3334 0.2440 -0.4235 0.140 Uiso 1 1 calc R . .
H34C H 1.2863 0.2089 -0.4636 0.140 Uiso 1 1 calc R . .
C35 C 0.7498(4) 0.4518(4) 0.3191(3) 0.0554(15) Uani 1 1 d . . .
H35 H 0.7830 0.4813 0.2851 0.067 Uiso 1 1 calc R . .
C36 C 0.7319(4) 0.4556(4) 0.3986(4) 0.0645(17) Uani 1 1 d . . .
C37 C 0.7754(4) 0.5013(4) 0.4131(4) 0.0703(18) Uani 1 1 d . . .
H37 H 0.8070 0.5287 0.3748 0.084 Uiso 1 1 calc R . .
C38 C 0.7708(4) 0.5053(4) 0.4870(4) 0.0692(18) Uani 1 1 d . . .
C39 C 0.7240(4) 0.4634(4) 0.5444(4) 0.0668(17) Uani 1 1 d . . .
H39 H 0.7230 0.4644 0.5936 0.080 Uiso 1 1 calc R . .
C40 C 0.6787(4) 0.4199(4) 0.5282(4) 0.0628(17) Uani 1 1 d . . .
H40 H 0.6463 0.3931 0.5661 0.075 Uiso 1 1 calc R . .
C41 C 0.6819(4) 0.4165(4) 0.4539(3) 0.0549(15) Uani 1 1 d . . .
C42 C 0.5365(4) 0.4268(4) 0.1932(3) 0.0522(14) Uani 1 1 d . . .
H42 H 0.5383 0.4557 0.1410 0.063 Uiso 1 1 calc R . .
C43 C 0.4591(4) 0.4234(4) 0.2292(4) 0.0581(15) Uani 1 1 d . . .
C44 C 0.3918(4) 0.4679(4) 0.1830(4) 0.0605(16) Uani 1 1 d . . .
H44 H 0.4002 0.4922 0.1307 0.073 Uiso 1 1 calc R . .
C45 C 0.3130(4) 0.4772(4) 0.2120(4) 0.0660(17) Uani 1 1 d . . .
C46 C 0.2989(4) 0.4413(4) 0.2899(4) 0.0687(18) Uani 1 1 d . . .
H46 H 0.2465 0.4479 0.3096 0.082 Uiso 1 1 calc R . .
C47 C 0.3626(4) 0.3960(4) 0.3379(4) 0.0684(18) Uani 1 1 d . . .
H47 H 0.3529 0.3717 0.3899 0.082 Uiso 1 1 calc R . .
C48 C 0.4432(4) 0.3863(4) 0.3086(4) 0.0585(16) Uani 1 1 d . . .
C49 C 0.7399(4) 0.4070(3) 0.2204(3) 0.0533(14) Uani 1 1 d . . .
C50 C 0.8138(3) 0.4085(3) 0.1848(3) 0.0498(14) Uani 1 1 d . . .
H50 H 0.8539 0.4158 0.2083 0.060 Uiso 1 1 calc R . .
C51 C 0.8293(3) 0.3992(3) 0.1151(3) 0.0513(14) Uani 1 1 d . . .
C52 C 0.7690(3) 0.3957(3) 0.0742(3) 0.0498(13) Uani 1 1 d . . .
H52 H 0.7780 0.3954 0.0246 0.060 Uiso 1 1 calc R . .
C53 C 0.6913(3) 0.3926(4) 0.1131(3) 0.0568(15) Uani 1 1 d . . .
H53 H 0.6498 0.3869 0.0900 0.068 Uiso 1 1 calc R . .
C54 C 0.6804(3) 0.3983(3) 0.1863(3) 0.0485(13) Uani 1 1 d . . .
C55 C 0.9825(4) 0.3631(4) 0.1144(3) 0.0592(16) Uani 1 1 d . . .
H55 H 0.9791 0.3439 0.1676 0.071 Uiso 1 1 calc R . .
C56 C 1.0564(4) 0.3563(4) 0.0821(3) 0.0563(15) Uani 1 1 d . . .
H56 H 1.1016 0.3320 0.1127 0.068 Uiso 1 1 calc R . .
C57 C 1.0660(3) 0.3868(3) -0.0006(3) 0.0541(14) Uani 1 1 d . . .
C58 C 0.9968(3) 0.4223(4) -0.0429(3) 0.0533(14) Uani 1 1 d . . .
C59 C 0.9170(3) 0.4297(3) -0.0072(3) 0.0424(12) Uani 1 1 d . . .
H59 H 0.8710 0.4552 -0.0366 0.051 Uiso 1 1 calc R . .
C60 C 0.9110(3) 0.3960(4) 0.0757(3) 0.0508(14) Uani 1 1 d . . .
C61 C 0.9560(4) 0.5111(4) -0.1661(4) 0.0579(15) Uani 1 1 d . . .
H61 H 0.9120 0.5346 -0.1413 0.070 Uiso 1 1 calc R . .
C62 C 0.9597(4) 0.5486(4) -0.2483(4) 0.0558(15) Uani 1 1 d . . .
C63 C 0.8945(4) 0.6130(4) -0.2799(3) 0.0539(14) Uani 1 1 d . . .
H63 H 0.8532 0.6293 -0.2483 0.065 Uiso 1 1 calc R . .
C64 C 0.8913(4) 0.6530(4) -0.3586(4) 0.0588(15) Uani 1 1 d . . .
C65 C 0.9531(4) 0.6286(5) -0.4058(4) 0.079(2) Uani 1 1 d . . .
H65 H 0.9509 0.6554 -0.4585 0.094 Uiso 1 1 calc R . .
C66 C 1.0182(4) 0.5642(4) -0.3742(4) 0.0593(16) Uani 1 1 d . . .
H66 H 1.0596 0.5479 -0.4058 0.071 Uiso 1 1 calc R . .
C67 C 1.0215(4) 0.5242(4) -0.2955(3) 0.0536(14) Uani 1 1 d . . .
C68 C 1.2024(3) 0.3908(3) -0.0140(3) 0.0540(14) Uani 1 1 d . . .
H68 H 1.1961 0.3973 0.0333 0.065 Uiso 1 1 calc R . .
C69 C 1.2798(4) 0.3903(4) -0.0517(4) 0.0592(15) Uani 1 1 d . . .
C70 C 1.3404(4) 0.3908(4) -0.0101(4) 0.0620(16) Uani 1 1 d . . .
H70 H 1.3286 0.3929 0.0388 0.074 Uiso 1 1 calc R . .
C71 C 1.4176(4) 0.3881(4) -0.0393(4) 0.0739(19) Uani 1 1 d . . .
C72 C 1.4367(4) 0.3837(4) -0.1120(4) 0.0681(18) Uani 1 1 d . . .
H72 H 1.4888 0.3818 -0.1319 0.082 Uiso 1 1 calc R . .
C73 C 1.3783(4) 0.3822(4) -0.1538(4) 0.0618(16) Uani 1 1 d . . .
H73 H 1.3910 0.3786 -0.2020 0.074 Uiso 1 1 calc R . .
C74 C 1.2988(3) 0.3860(3) -0.1247(4) 0.0520(14) Uani 1 1 d . . .
Cl1 Cl 0.82713(10) 0.55766(10) 0.51010(9) 0.0646(4) Uani 1 1 d . . .
Cl2 Cl 0.23278(10) 0.53351(11) 0.15105(10) 0.0724(5) Uani 1 1 d . . .
Cl3 Cl 0.80983(10) 0.73660(10) -0.39748(9) 0.0669(4) Uani 1 1 d . . .
Cl4 Cl 1.49202(10) 0.39192(11) 0.01361(10) 0.0711(4) Uani 1 1 d . . .
Co1 Co 0.76257(5) 0.05873(5) 0.44956(5) 0.0596(2) Uani 1 1 d . . .
Co2 Co 1.13577(6) 0.11824(6) -0.14201(6) 0.0720(3) Uani 1 1 d . . .
N1 N 0.7185(3) 0.4075(3) 0.2998(3) 0.0530(12) Uani 1 1 d . . .
N2 N 0.6048(3) 0.3918(3) 0.2291(3) 0.0559(12) Uani 1 1 d . . .
N3 N 1.0064(3) 0.4489(3) -0.1229(3) 0.0531(12) Uani 1 1 d . . .
N4 N 1.1374(3) 0.3826(3) -0.0421(3) 0.0517(12) Uani 1 1 d . . .
O1 O 0.6874(3) 0.0841(3) 0.5829(2) 0.0698(12) Uani 1 1 d . . .
O2 O 0.5796(3) 0.0789(3) 0.4921(3) 0.0708(12) Uani 1 1 d . . .
O3 O 0.6210(3) 0.2031(3) 0.4753(2) 0.0653(11) Uani 1 1 d . . .
O4 O 0.8100(3) 0.1646(3) 0.5215(3) 0.0810(14) Uani 1 1 d . . .
O5 O 0.9055(3) 0.1399(3) 0.4026(3) 0.0744(12) Uani 1 1 d . . .
O6 O 0.7656(3) 0.2423(3) 0.4016(2) 0.0661(11) Uani 1 1 d . . .
O7 O 0.7839(3) 0.1160(3) 0.2729(2) 0.0706(12) Uani 1 1 d . . .
O8 O 0.6615(3) 0.0697(3) 0.3203(3) 0.0696(12) Uani 1 1 d . . .
O9 O 0.6632(3) 0.2091(3) 0.3132(3) 0.0711(12) Uani 1 1 d . . .
O10 O 0.6394(2) 0.3747(2) 0.4407(2) 0.0558(10) Uani 1 1 d . . .
O11 O 0.5043(2) 0.3438(3) 0.3567(2) 0.0569(10) Uani 1 1 d . . .
O12 O 0.9541(3) 0.1857(3) -0.0992(3) 0.0836(15) Uani 1 1 d . . .
O13 O 1.0009(3) 0.2454(3) -0.2466(3) 0.0768(13) Uani 1 1 d . . .
O14 O 1.0232(3) 0.2947(3) -0.1452(3) 0.0774(13) Uani 1 1 d . . .
O15 O 1.2510(3) 0.0872(3) -0.0192(3) 0.0859(15) Uani 1 1 d . . .
O16 O 1.1081(4) 0.1234(4) 0.0172(3) 0.1057(19) Uani 1 1 d . . .
O17 O 1.1860(3) 0.2307(3) -0.0684(3) 0.0794(14) Uani 1 1 d . . .
O18 O 1.2944(3) 0.1499(3) -0.1990(3) 0.0806(14) Uani 1 1 d . . .
O19 O 1.1974(3) 0.1875(3) -0.3055(3) 0.0769(13) Uani 1 1 d . . .
O20 O 1.1906(3) 0.2750(3) -0.2257(3) 0.0776(13) Uani 1 1 d . . .
O21 O 1.0832(2) 0.4632(3) -0.2653(2) 0.0610(11) Uani 1 1 d . . .
O22 O 1.2437(2) 0.3878(3) -0.1711(2) 0.0664(12) Uani 1 1 d . . .
P1 P 0.65114(12) 0.11228(12) 0.50053(10) 0.0680(5) Uani 1 1 d . . .
P2 P 0.81554(10) 0.15506(10) 0.43991(10) 0.0605(4) Uani 1 1 d . . .
P3 P 0.71311(11) 0.12125(10) 0.33702(10) 0.0585(4) Uani 1 1 d . . .
P4 P 1.02319(12) 0.21887(12) -0.15872(12) 0.0735(5) Uani 1 1 d . . .
P5 P 1.16880(12) 0.14501(12) -0.05440(11) 0.0720(5) Uani 1 1 d . . .
P6 P 1.19994(12) 0.19073(12) -0.22419(11) 0.0730(5) Uani 1 1 d . . .
Dy1 Dy 0.638331(17) 0.308067(17) 0.365498(16) 0.05083(9) Uani 1 1 d . . .
Dy2 Dy 1.127910(17) 0.356714(18) -0.161059(16) 0.05620(10) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C5 1.415(10) . ?
C1 C2 1.437(11) . ?
C1 Co1 2.056(7) . ?
C1 H1 0.9800 . ?
C2 C3 1.416(10) . ?
C2 Co1 2.083(8) . ?
C2 H2 0.9800 . ?
C3 C4 1.403(9) . ?
C3 Co1 2.121(7) . ?
C3 H3 0.9800 . ?
C4 C5 1.432(10) . ?
C4 Co1 2.160(7) . ?
C4 H4 0.9800 . ?
C5 Co1 2.071(7) . ?
C5 H5 0.9800 . ?
C6 O1 1.410(7) . ?
C6 C7 1.525(10) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O2 1.489(8) . ?
C8 C9 1.510(10) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O4 1.419(8) . ?
C10 C11 1.465(10) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O5 1.440(8) . ?
C12 C13 1.532(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O7 1.438(8) . ?
C14 C15 1.499(9) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15D 0.9600 . ?
C15 H15E 0.9600 . ?
C15 H15F 0.9600 . ?
C16 O8 1.343(8) . ?
C16 C17 1.476(9) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C22 1.425(10) . ?
C18 C19 1.439(10) . ?
C18 Co2 2.168(7) . ?
C18 H18 0.9800 . ?
C19 C20 1.429(10) . ?
C19 Co2 2.227(7) . ?
C19 H19 0.9800 . ?
C20 C21 1.408(10) . ?
C20 Co2 2.137(7) . ?
C20 H20 0.9800 . ?
C21 C22 1.407(9) . ?
C21 Co2 2.043(7) . ?
C21 H21 0.9800 . ?
C22 Co2 2.066(7) . ?
C22 H22 0.9800 . ?
C23 O12 1.409(8) . ?
C23 C24 1.454(10) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.455(10) . ?
C25 O13 1.457(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 O15 1.353(9) . ?
C27 C28 1.530(11) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 O16 1.363(9) . ?
C29 C30 1.466(10) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 O18 1.499(9) . ?
C31 C32 1.518(11) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 O19 1.435(8) . ?
C33 C34 1.516(10) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 N1 1.270(7) . ?
C35 C36 1.514(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.387(9) . ?
C36 C41 1.389(8) . ?
C37 C38 1.410(9) . ?
C37 H37 0.9300 . ?
C38 C39 1.394(9) . ?
C38 Cl1 1.737(6) . ?
C39 C40 1.395(8) . ?
C39 H39 0.9300 . ?
C40 C41 1.415(8) . ?
C40 H40 0.9300 . ?
C41 O10 1.305(7) . ?
C42 N2 1.310(7) . ?
C42 C43 1.431(8) . ?
C42 H42 0.9300 . ?
C43 C44 1.403(9) . ?
C43 C48 1.424(8) . ?
C44 C45 1.394(9) . ?
C44 H44 0.9300 . ?
C45 C46 1.391(9) . ?
C45 Cl2 1.737(6) . ?
C46 C47 1.378(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.423(9) . ?
C47 H47 0.9300 . ?
C48 O11 1.340(7) . ?
C49 C54 1.351(8) . ?
C49 C50 1.370(8) . ?
C49 N1 1.498(7) . ?
C50 C51 1.369(7) . ?
C50 H50 0.9300 . ?
C51 C52 1.398(8) . ?
C51 C60 1.510(8) . ?
C52 C53 1.454(8) . ?
C52 H52 0.9300 . ?
C53 C54 1.406(7) . ?
C53 H53 0.9300 . ?
C54 N2 1.461(7) . ?
C55 C56 1.342(8) . ?
C55 C60 1.378(8) . ?
C55 H55 0.9300 . ?
C56 C57 1.451(8) . ?
C56 H56 0.9300 . ?
C57 N4 1.378(7) . ?
C57 C58 1.379(8) . ?
C58 N3 1.403(7) . ?
C58 C59 1.453(8) . ?
C59 C60 1.452(7) . ?
C59 H59 0.9300 . ?
C61 N3 1.291(8) . ?
C61 C62 1.444(8) . ?
C61 H61 0.9300 . ?
C62 C63 1.390(8) . ?
C62 C67 1.390(8) . ?
C63 C64 1.390(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.390(9) . ?
C64 Cl3 1.764(7) . ?
C65 C66 1.390(9) . ?
C65 H65 0.9300 . ?
C66 C67 1.390(8) . ?
C66 H66 0.9300 . ?
C67 O21 1.318(7) . ?
C68 N4 1.367(7) . ?
C68 C69 1.435(8) . ?
C68 H68 0.9300 . ?
C69 C70 1.386(8) . ?
C69 C74 1.398(8) . ?
C70 C71 1.376(9) . ?
C70 H70 0.9300 . ?
C71 C72 1.395(9) . ?
C71 Cl4 1.749(8) . ?
C72 C73 1.365(9) . ?
C72 H72 0.9300 . ?
C73 C74 1.409(8) . ?
C73 H73 0.9300 . ?
C74 O22 1.354(7) . ?
Co1 P3 2.151(2) . ?
Co1 P2 2.1630(18) . ?
Co1 P1 2.192(2) . ?
Co2 P5 2.068(2) . ?
Co2 P6 2.074(2) . ?
Co2 P4 2.248(2) . ?
N1 Dy1 2.483(5) . ?
N2 Dy1 2.498(5) . ?
N3 Dy2 2.527(5) . ?
N4 Dy2 2.487(5) . ?
O1 P1 1.588(5) . ?
O2 P1 1.576(5) . ?
O3 P1 1.518(5) . ?
O3 Dy1 2.311(4) . ?
O4 P2 1.597(5) . ?
O5 P2 1.621(5) . ?
O6 P2 1.545(5) . ?
O6 Dy1 2.245(4) . ?
O7 P3 1.620(5) . ?
O8 P3 1.602(5) . ?
O9 P3 1.537(5) . ?
O9 Dy1 2.301(4) . ?
O10 Dy1 2.197(4) . ?
O11 Dy1 2.235(4) . ?
O12 P4 1.623(5) . ?
O13 P4 1.604(5) . ?
O14 P4 1.515(5) . ?
O14 Dy2 2.336(4) . ?
O15 P5 1.569(5) . ?
O16 P5 1.602(6) . ?
O17 P5 1.616(5) . ?
O17 Dy2 2.366(5) . ?
O18 P6 1.643(5) . ?
O19 P6 1.560(5) . ?
O20 P6 1.512(5) . ?
O20 Dy2 2.251(4) . ?
O21 Dy2 2.234(4) . ?
O22 Dy2 2.201(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 C1 C2 106.3(7) . . ?
C5 C1 Co1 70.5(4) . . ?
C2 C1 Co1 70.7(4) . . ?
C5 C1 H1 126.8 . . ?
C2 C1 H1 126.8 . . ?
Co1 C1 H1 126.8 . . ?
C3 C2 C1 107.7(7) . . ?
C3 C2 Co1 71.8(4) . . ?
C1 C2 Co1 68.7(4) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Co1 C2 H2 126.1 . . ?
C4 C3 C2 109.9(7) . . ?
C4 C3 Co1 72.4(4) . . ?
C2 C3 Co1 68.9(4) . . ?
C4 C3 H3 125.1 . . ?
C2 C3 H3 125.1 . . ?
Co1 C3 H3 125.1 . . ?
C3 C4 C5 106.1(6) . . ?
C3 C4 Co1 69.4(4) . . ?
C5 C4 Co1 66.9(4) . . ?
C3 C4 H4 126.9 . . ?
C5 C4 H4 126.9 . . ?
Co1 C4 H4 126.9 . . ?
C1 C5 C4 110.0(7) . . ?
C1 C5 Co1 69.4(4) . . ?
C4 C5 Co1 73.6(4) . . ?
C1 C5 H5 125.0 . . ?
C4 C5 H5 125.0 . . ?
Co1 C5 H5 125.0 . . ?
O1 C6 C7 98.7(5) . . ?
O1 C6 H6A 112.0 . . ?
C7 C6 H6A 112.0 . . ?
O1 C6 H6B 112.0 . . ?
C7 C6 H6B 112.0 . . ?
H6A C6 H6B 109.7 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 116.9(5) . . ?
O2 C8 H8A 108.1 . . ?
C9 C8 H8A 108.1 . . ?
O2 C8 H8B 108.1 . . ?
C9 C8 H8B 108.1 . . ?
H8A C8 H8B 107.3 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C11 112.5(6) . . ?
O4 C10 H10A 109.1 . . ?
C11 C10 H10A 109.1 . . ?
O4 C10 H10B 109.1 . . ?
C11 C10 H10B 109.1 . . ?
H10A C10 H10B 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 106.0(6) . . ?
O5 C12 H12A 110.5 . . ?
C13 C12 H12A 110.5 . . ?
O5 C12 H12B 110.5 . . ?
C13 C12 H12B 110.5 . . ?
H12A C12 H12B 108.7 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 120.3(6) . . ?
O7 C14 H14A 107.3 . . ?
C15 C14 H14A 107.3 . . ?
O7 C14 H14B 107.3 . . ?
C15 C14 H14B 107.3 . . ?
H14A C14 H14B 106.9 . . ?
C14 C15 H15D 109.5 . . ?
C14 C15 H15E 109.5 . . ?
H15D C15 H15E 109.5 . . ?
C14 C15 H15F 109.5 . . ?
H15D C15 H15F 109.5 . . ?
H15E C15 H15F 109.5 . . ?
O8 C16 C17 117.5(6) . . ?
O8 C16 H16A 107.9 . . ?
C17 C16 H16A 107.9 . . ?
O8 C16 H16B 107.9 . . ?
C17 C16 H16B 107.9 . . ?
H16A C16 H16B 107.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C18 C19 107.7(7) . . ?
C22 C18 Co2 66.5(4) . . ?
C19 C18 Co2 73.1(4) . . ?
C22 C18 H18 126.2 . . ?
C19 C18 H18 126.2 . . ?
Co2 C18 H18 126.2 . . ?
C20 C19 C18 107.5(7) . . ?
C20 C19 Co2 67.5(4) . . ?
C18 C19 Co2 68.7(4) . . ?
C20 C19 H19 126.2 . . ?
C18 C19 H19 126.2 . . ?
Co2 C19 H19 126.2 . . ?
C21 C20 C19 107.5(6) . . ?
C21 C20 Co2 66.7(4) . . ?
C19 C20 Co2 74.3(4) . . ?
C21 C20 H20 126.2 . . ?
C19 C20 H20 126.2 . . ?
Co2 C20 H20 126.2 . . ?
C22 C21 C20 109.7(7) . . ?
C22 C21 Co2 70.9(4) . . ?
C20 C21 Co2 74.0(4) . . ?
C22 C21 H21 125.1 . . ?
C20 C21 H21 125.1 . . ?
Co2 C21 H21 125.1 . . ?
C21 C22 C18 107.6(7) . . ?
C21 C22 Co2 69.1(4) . . ?
C18 C22 Co2 74.2(4) . . ?
C21 C22 H22 126.1 . . ?
C18 C22 H22 126.1 . . ?
Co2 C22 H22 126.1 . . ?
O12 C23 C24 122.9(7) . . ?
O12 C23 H23A 106.6 . . ?
C24 C23 H23A 106.6 . . ?
O12 C23 H23B 106.6 . . ?
C24 C23 H23B 106.6 . . ?
H23A C23 H23B 106.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 O13 117.2(7) . . ?
C26 C25 H25A 108.0 . . ?
O13 C25 H25A 108.0 . . ?
C26 C25 H25B 108.0 . . ?
O13 C25 H25B 108.0 . . ?
H25A C25 H25B 107.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O15 C27 C28 104.3(7) . . ?
O15 C27 H27A 110.9 . . ?
C28 C27 H27A 110.9 . . ?
O15 C27 H27B 110.9 . . ?
C28 C27 H27B 110.9 . . ?
H27A C27 H27B 108.9 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O16 C29 C30 118.2(7) . . ?
O16 C29 H29A 107.8 . . ?
C30 C29 H29A 107.8 . . ?
O16 C29 H29B 107.8 . . ?
C30 C29 H29B 107.8 . . ?
H29A C29 H29B 107.1 . . ?
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 . . ?
O18 C31 C32 114.8(7) . . ?
O18 C31 H31A 108.6 . . ?
C32 C31 H31A 108.6 . . ?
O18 C31 H31B 108.6 . . ?
C32 C31 H31B 108.6 . . ?
H31A C31 H31B 107.5 . . ?
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 . . ?
O19 C33 C34 117.5(7) . . ?
O19 C33 H33A 107.9 . . ?
C34 C33 H33A 107.9 . . ?
O19 C33 H33B 107.9 . . ?
C34 C33 H33B 107.9 . . ?
H33A C33 H33B 107.2 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N1 C35 C36 118.6(6) . . ?
N1 C35 H35 120.7 . . ?
C36 C35 H35 120.7 . . ?
C37 C36 C41 121.8(6) . . ?
C37 C36 C35 111.7(6) . . ?
C41 C36 C35 126.5(6) . . ?
C36 C37 C38 118.9(6) . . ?
C36 C37 H37 120.6 . . ?
C38 C37 H37 120.6 . . ?
C39 C38 C37 120.3(6) . . ?
C39 C38 Cl1 118.4(5) . . ?
C37 C38 Cl1 121.2(5) . . ?
C38 C39 C40 120.1(6) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 C41 120.0(6) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
O10 C41 C36 122.6(5) . . ?
O10 C41 C40 118.5(5) . . ?
C36 C41 C40 118.9(5) . . ?
N2 C42 C43 124.2(6) . . ?
N2 C42 H42 117.9 . . ?
C43 C42 H42 117.9 . . ?
C44 C43 C48 116.5(5) . . ?
C44 C43 C42 116.7(6) . . ?
C48 C43 C42 126.5(6) . . ?
C45 C44 C43 122.9(6) . . ?
C45 C44 H44 118.5 . . ?
C43 C44 H44 118.5 . . ?
C46 C45 C44 119.6(6) . . ?
C46 C45 Cl2 120.2(5) . . ?
C44 C45 Cl2 120.2(5) . . ?
C47 C46 C45 120.0(6) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C46 C47 C48 120.6(6) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
O11 C48 C47 119.5(6) . . ?
O11 C48 C43 120.1(5) . . ?
C47 C48 C43 120.3(6) . . ?
C54 C49 C50 120.4(5) . . ?
C54 C49 N1 113.7(5) . . ?
C50 C49 N1 125.7(5) . . ?
C51 C50 C49 120.9(6) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C50 C51 C52 121.6(5) . . ?
C50 C51 C60 122.7(5) . . ?
C52 C51 C60 115.6(5) . . ?
C51 C52 C53 116.8(5) . . ?
C51 C52 H52 121.6 . . ?
C53 C52 H52 121.6 . . ?
C54 C53 C52 118.5(5) . . ?
C54 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
C49 C54 C53 121.5(5) . . ?
C49 C54 N2 117.9(5) . . ?
C53 C54 N2 120.6(5) . . ?
C56 C55 C60 125.7(6) . . ?
C56 C55 H55 117.2 . . ?
C60 C55 H55 117.2 . . ?
C55 C56 C57 120.0(6) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 H56 120.0 . . ?
N4 C57 C58 115.8(5) . . ?
N4 C57 C56 126.9(5) . . ?
C58 C57 C56 117.4(5) . . ?
C57 C58 N3 117.1(5) . . ?
C57 C58 C59 122.1(5) . . ?
N3 C58 C59 120.8(5) . . ?
C60 C59 C58 118.2(5) . . ?
C60 C59 H59 120.9 . . ?
C58 C59 H59 120.9 . . ?
C55 C60 C59 116.6(5) . . ?
C55 C60 C51 123.4(5) . . ?
C59 C60 C51 120.0(5) . . ?
N3 C61 C62 127.8(6) . . ?
N3 C61 H61 116.1 . . ?
C62 C61 H61 116.1 . . ?
C63 C62 C67 120.0(6) . . ?
C63 C62 C61 115.1(5) . . ?
C67 C62 C61 124.9(6) . . ?
C62 C63 C64 120.0(6) . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
C65 C64 C63 120.0(6) . . ?
C65 C64 Cl3 120.5(5) . . ?
C63 C64 Cl3 119.4(5) . . ?
C64 C65 C66 120.0(7) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C67 C66 C65 120.0(6) . . ?
C67 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
O21 C67 C66 120.2(5) . . ?
O21 C67 C62 119.8(6) . . ?
C66 C67 C62 120.0(6) . . ?
N4 C68 C69 125.1(5) . . ?
N4 C68 H68 117.4 . . ?
C69 C68 H68 117.4 . . ?
C70 C69 C74 118.4(6) . . ?
C70 C69 C68 116.2(6) . . ?
C74 C69 C68 125.3(6) . . ?
C71 C70 C69 121.6(6) . . ?
C71 C70 H70 119.2 . . ?
C69 C70 H70 119.2 . . ?
C70 C71 C72 120.0(7) . . ?
C70 C71 Cl4 120.4(5) . . ?
C72 C71 Cl4 119.6(5) . . ?
C73 C72 C71 119.5(6) . . ?
C73 C72 H72 120.2 . . ?
C71 C72 H72 120.2 . . ?
C72 C73 C74 120.8(6) . . ?
C72 C73 H73 119.6 . . ?
C74 C73 H73 119.6 . . ?
O22 C74 C69 123.3(5) . . ?
O22 C74 C73 117.0(5) . . ?
C69 C74 C73 119.7(5) . . ?
C1 Co1 C5 40.1(3) . . ?
C1 Co1 C2 40.6(3) . . ?
C5 Co1 C2 66.6(3) . . ?
C1 Co1 C3 66.9(3) . . ?
C5 Co1 C3 65.4(3) . . ?
C2 Co1 C3 39.4(3) . . ?
C1 Co1 P3 114.1(2) . . ?
C5 Co1 P3 89.6(2) . . ?
C2 Co1 P3 154.2(2) . . ?
C3 Co1 P3 139.6(2) . . ?
C1 Co1 C4 67.1(3) . . ?
C5 Co1 C4 39.5(3) . . ?
C2 Co1 C4 65.9(3) . . ?
C3 Co1 C4 38.2(3) . . ?
P3 Co1 C4 102.6(2) . . ?
C1 Co1 P2 152.0(3) . . ?
C5 Co1 P2 136.5(2) . . ?
C2 Co1 P2 112.1(2) . . ?
C3 Co1 P2 86.7(2) . . ?
P3 Co1 P2 91.88(7) . . ?
C4 Co1 P2 98.3(2) . . ?
C1 Co1 P1 97.7(2) . . ?
C5 Co1 P1 131.5(2) . . ?
C2 Co1 P1 97.5(2) . . ?
C3 Co1 P1 129.7(2) . . ?
P3 Co1 P1 90.77(7) . . ?
C4 Co1 P1 162.8(2) . . ?
P2 Co1 P1 91.97(7) . . ?
C21 Co2 C22 40.0(3) . . ?
C21 Co2 P5 100.8(2) . . ?
C22 Co2 P5 135.5(2) . . ?
C21 Co2 P6 114.9(2) . . ?
C22 Co2 P6 89.6(2) . . ?
P5 Co2 P6 93.14(9) . . ?
C21 Co2 C20 39.3(3) . . ?
C22 Co2 C20 66.4(3) . . ?
P5 Co2 C20 96.8(2) . . ?
P6 Co2 C20 153.7(2) . . ?
C21 Co2 C18 65.7(3) . . ?
C22 Co2 C18 39.2(3) . . ?
P5 Co2 C18 161.8(2) . . ?
P6 Co2 C18 103.6(2) . . ?
C20 Co2 C18 65.0(3) . . ?
C21 Co2 C19 64.6(3) . . ?
C22 Co2 C19 65.1(3) . . ?
P5 Co2 C19 126.0(2) . . ?
P6 Co2 C19 140.8(2) . . ?
C20 Co2 C19 38.1(2) . . ?
C18 Co2 C19 38.2(3) . . ?
C21 Co2 P4 149.3(2) . . ?
C22 Co2 P4 134.1(2) . . ?
P5 Co2 P4 90.17(8) . . ?
P6 Co2 P4 92.77(8) . . ?
C20 Co2 P4 111.4(2) . . ?
C18 Co2 P4 96.2(2) . . ?
C19 Co2 P4 85.7(2) . . ?
C35 N1 C49 114.9(5) . . ?
C35 N1 Dy1 135.7(4) . . ?
C49 N1 Dy1 109.1(3) . . ?
C42 N2 C54 119.4(5) . . ?
C42 N2 Dy1 132.7(4) . . ?
C54 N2 Dy1 107.8(4) . . ?
C61 N3 C58 121.0(5) . . ?
C61 N3 Dy2 128.9(4) . . ?
C58 N3 Dy2 110.1(4) . . ?
C68 N4 C57 118.7(5) . . ?
C68 N4 Dy2 128.8(4) . . ?
C57 N4 Dy2 112.4(4) . . ?
C6 O1 P1 119.5(4) . . ?
C8 O2 P1 123.2(4) . . ?
P1 O3 Dy1 134.0(2) . . ?
C10 O4 P2 123.1(4) . . ?
C12 O5 P2 119.7(4) . . ?
P2 O6 Dy1 138.7(3) . . ?
C14 O7 P3 120.2(4) . . ?
C16 O8 P3 129.2(4) . . ?
P3 O9 Dy1 134.5(3) . . ?
C41 O10 Dy1 140.6(4) . . ?
C48 O11 Dy1 144.0(4) . . ?
C23 O12 P4 121.1(5) . . ?
C25 O13 P4 120.7(4) . . ?
P4 O14 Dy2 129.5(3) . . ?
C27 O15 P5 134.3(6) . . ?
C29 O16 P5 119.0(5) . . ?
P5 O17 Dy2 127.5(3) . . ?
C31 O18 P6 117.4(5) . . ?
C33 O19 P6 127.6(5) . . ?
P6 O20 Dy2 140.4(3) . . ?
C67 O21 Dy2 144.9(4) . . ?
C74 O22 Dy2 138.6(4) . . ?
O3 P1 O2 107.5(3) . . ?
O3 P1 O1 105.6(3) . . ?
O2 P1 O1 118.5(3) . . ?
O3 P1 Co1 119.54(19) . . ?
O2 P1 Co1 110.76(19) . . ?
O1 P1 Co1 95.10(18) . . ?
O6 P2 O4 92.5(3) . . ?
O6 P2 O5 111.8(3) . . ?
O4 P2 O5 115.1(3) . . ?
O6 P2 Co1 117.77(19) . . ?
O4 P2 Co1 108.85(19) . . ?
O5 P2 Co1 109.98(18) . . ?
O9 P3 O8 108.1(3) . . ?
O9 P3 O7 107.4(2) . . ?
O8 P3 O7 98.9(3) . . ?
O9 P3 Co1 121.08(19) . . ?
O8 P3 Co1 109.2(2) . . ?
O7 P3 Co1 109.85(19) . . ?
O14 P4 O13 106.9(3) . . ?
O14 P4 O12 103.1(3) . . ?
O13 P4 O12 113.2(3) . . ?
O14 P4 Co2 120.4(2) . . ?
O13 P4 Co2 104.92(19) . . ?
O12 P4 Co2 108.6(2) . . ?
O15 P5 O16 101.5(3) . . ?
O15 P5 O17 100.0(3) . . ?
O16 P5 O17 110.1(3) . . ?
O15 P5 Co2 111.7(2) . . ?
O16 P5 Co2 109.4(3) . . ?
O17 P5 Co2 122.1(2) . . ?
O20 P6 O19 112.7(3) . . ?
O20 P6 O18 100.3(3) . . ?
O19 P6 O18 104.9(3) . . ?
O20 P6 Co2 118.6(2) . . ?
O19 P6 Co2 113.3(2) . . ?
O18 P6 Co2 104.8(2) . . ?
O10 Dy1 O11 94.43(14) . . ?
O10 Dy1 O6 86.51(15) . . ?
O11 Dy1 O6 163.84(16) . . ?
O10 Dy1 O9 163.04(16) . . ?
O11 Dy1 O9 97.20(15) . . ?
O6 Dy1 O9 78.91(16) . . ?
O10 Dy1 O3 86.75(15) . . ?
O11 Dy1 O3 86.48(15) . . ?
O6 Dy1 O3 77.46(15) . . ?
O9 Dy1 O3 81.70(16) . . ?
O10 Dy1 N1 72.24(15) . . ?
O11 Dy1 N1 120.55(16) . . ?
O6 Dy1 N1 75.10(16) . . ?
O9 Dy1 N1 111.63(16) . . ?
O3 Dy1 N1 146.16(16) . . ?
O10 Dy1 N2 115.72(15) . . ?
O11 Dy1 N2 72.32(15) . . ?
O6 Dy1 N2 121.67(16) . . ?
O9 Dy1 N2 79.72(16) . . ?
O3 Dy1 N2 149.61(16) . . ?
N1 Dy1 N2 63.93(16) . . ?
O22 Dy2 O21 90.94(16) . . ?
O22 Dy2 O20 85.47(17) . . ?
O21 Dy2 O20 95.08(17) . . ?
O22 Dy2 O14 167.18(17) . . ?
O21 Dy2 O14 98.20(17) . . ?
O20 Dy2 O14 84.78(16) . . ?
O22 Dy2 O17 88.50(17) . . ?
O21 Dy2 O17 168.50(16) . . ?
O20 Dy2 O17 73.42(18) . . ?
O14 Dy2 O17 80.75(18) . . ?
O22 Dy2 N4 74.60(15) . . ?
O21 Dy2 N4 117.30(15) . . ?
O20 Dy2 N4 141.61(17) . . ?
O14 Dy2 N4 108.60(15) . . ?
O17 Dy2 N4 73.58(15) . . ?
O22 Dy2 N3 116.64(16) . . ?
O21 Dy2 N3 71.68(15) . . ?
O20 Dy2 N3 153.61(17) . . ?
O14 Dy2 N3 75.04(15) . . ?
O17 Dy2 N3 118.67(17) . . ?
N4 Dy2 N3 62.92(15) . . ?

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
C5 C1 C2 C3 0.4(8) . . . . ?
Co1 C1 C2 C3 -61.5(5) . . . . ?
C5 C1 C2 Co1 61.9(5) . . . . ?
C1 C2 C3 C4 -1.4(9) . . . . ?
Co1 C2 C3 C4 -61.0(5) . . . . ?
C1 C2 C3 Co1 59.6(5) . . . . ?
C2 C3 C4 C5 1.8(8) . . . . ?
Co1 C3 C4 C5 -57.0(5) . . . . ?
C2 C3 C4 Co1 58.8(5) . . . . ?
C2 C1 C5 C4 0.7(8) . . . . ?
Co1 C1 C5 C4 62.8(5) . . . . ?
C2 C1 C5 Co1 -62.0(5) . . . . ?
C3 C4 C5 C1 -1.6(8) . . . . ?
Co1 C4 C5 C1 -60.2(5) . . . . ?
C3 C4 C5 Co1 58.6(5) . . . . ?
C22 C18 C19 C20 1.3(8) . . . . ?
Co2 C18 C19 C20 -56.4(4) . . . . ?
C22 C18 C19 Co2 57.8(5) . . . . ?
C18 C19 C20 C21 -1.6(7) . . . . ?
Co2 C19 C20 C21 -58.7(5) . . . . ?
C18 C19 C20 Co2 57.1(5) . . . . ?
C19 C20 C21 C22 1.3(8) . . . . ?
Co2 C20 C21 C22 -62.3(5) . . . . ?
C19 C20 C21 Co2 63.6(5) . . . . ?
C20 C21 C22 C18 -0.5(8) . . . . ?
Co2 C21 C22 C18 -64.8(5) . . . . ?
C20 C21 C22 Co2 64.3(5) . . . . ?
C19 C18 C22 C21 -0.5(8) . . . . ?
Co2 C18 C22 C21 61.4(5) . . . . ?
C19 C18 C22 Co2 -61.9(5) . . . . ?
N1 C35 C36 C37 175.2(6) . . . . ?
N1 C35 C36 C41 -1.8(10) . . . . ?
C41 C36 C37 C38 2.5(11) . . . . ?
C35 C36 C37 C38 -174.7(6) . . . . ?
C36 C37 C38 C39 0.7(11) . . . . ?
C36 C37 C38 Cl1 177.1(6) . . . . ?
C37 C38 C39 C40 -2.8(11) . . . . ?
Cl1 C38 C39 C40 -179.3(5) . . . . ?
C38 C39 C40 C41 1.8(10) . . . . ?
C37 C36 C41 O10 178.6(6) . . . . ?
C35 C36 C41 O10 -4.7(11) . . . . ?
C37 C36 C41 C40 -3.4(10) . . . . ?
C35 C36 C41 C40 173.3(6) . . . . ?
C39 C40 C41 O10 179.4(6) . . . . ?
C39 C40 C41 C36 1.3(10) . . . . ?
N2 C42 C43 C44 176.7(6) . . . . ?
N2 C42 C43 C48 3.7(10) . . . . ?
C48 C43 C44 C45 0.9(9) . . . . ?
C42 C43 C44 C45 -172.8(6) . . . . ?
C43 C44 C45 C46 -0.1(11) . . . . ?
C43 C44 C45 Cl2 179.8(5) . . . . ?
C44 C45 C46 C47 -0.7(10) . . . . ?
Cl2 C45 C46 C47 179.3(5) . . . . ?
C45 C46 C47 C48 0.7(10) . . . . ?
C46 C47 C48 O11 178.2(6) . . . . ?
C46 C47 C48 C43 0.2(10) . . . . ?
C44 C43 C48 O11 -178.9(5) . . . . ?
C42 C43 C48 O11 -5.9(9) . . . . ?
C44 C43 C48 C47 -0.9(9) . . . . ?
C42 C43 C48 C47 172.1(6) . . . . ?
C54 C49 C50 C51 -1.5(9) . . . . ?
N1 C49 C50 C51 172.9(5) . . . . ?
C49 C50 C51 C52 6.2(9) . . . . ?
C49 C50 C51 C60 -176.7(5) . . . . ?
C50 C51 C52 C53 -7.2(8) . . . . ?
C60 C51 C52 C53 175.5(5) . . . . ?
C51 C52 C53 C54 3.9(8) . . . . ?
C50 C49 C54 C53 -1.7(9) . . . . ?
N1 C49 C54 C53 -176.8(5) . . . . ?
C50 C49 C54 N2 175.9(5) . . . . ?
N1 C49 C54 N2 0.8(7) . . . . ?
C52 C53 C54 C49 0.4(9) . . . . ?
C52 C53 C54 N2 -177.2(5) . . . . ?
C60 C55 C56 C57 1.5(10) . . . . ?
C55 C56 C57 N4 -178.3(6) . . . . ?
C55 C56 C57 C58 0.1(9) . . . . ?
N4 C57 C58 N3 1.0(8) . . . . ?
C56 C57 C58 N3 -177.6(5) . . . . ?
N4 C57 C58 C59 178.8(5) . . . . ?
C56 C57 C58 C59 0.2(9) . . . . ?
C57 C58 C59 C60 -1.9(8) . . . . ?
N3 C58 C59 C60 175.8(5) . . . . ?
C56 C55 C60 C59 -3.2(9) . . . . ?
C56 C55 C60 C51 177.5(6) . . . . ?
C58 C59 C60 C55 3.3(8) . . . . ?
C58 C59 C60 C51 -177.5(5) . . . . ?
C50 C51 C60 C55 33.4(9) . . . . ?
C52 C51 C60 C55 -149.4(6) . . . . ?
C50 C51 C60 C59 -145.9(5) . . . . ?
C52 C51 C60 C59 31.4(7) . . . . ?
N3 C61 C62 C63 177.1(6) . . . . ?
N3 C61 C62 C67 -2.1(10) . . . . ?
C67 C62 C63 C64 0.0(8) . . . . ?
C61 C62 C63 C64 -179.2(5) . . . . ?
C62 C63 C64 C65 0.0(9) . . . . ?
C62 C63 C64 Cl3 -178.0(4) . . . . ?
C63 C64 C65 C66 0.0(10) . . . . ?
Cl3 C64 C65 C66 178.0(5) . . . . ?
C64 C65 C66 C67 0.0(10) . . . . ?
C65 C66 C67 O21 -179.9(6) . . . . ?
C65 C66 C67 C62 0.0(9) . . . . ?
C63 C62 C67 O21 179.9(5) . . . . ?
C61 C62 C67 O21 -1.0(9) . . . . ?
C63 C62 C67 C66 0.0(8) . . . . ?
C61 C62 C67 C66 179.1(5) . . . . ?
N4 C68 C69 C70 -173.3(6) . . . . ?
N4 C68 C69 C74 4.0(10) . . . . ?
C74 C69 C70 C71 0.8(10) . . . . ?
C68 C69 C70 C71 178.2(6) . . . . ?
C69 C70 C71 C72 -0.9(11) . . . . ?
C69 C70 C71 Cl4 178.0(5) . . . . ?
C70 C71 C72 C73 0.1(11) . . . . ?
Cl4 C71 C72 C73 -178.8(5) . . . . ?
C71 C72 C73 C74 0.8(10) . . . . ?
C70 C69 C74 O22 -177.8(6) . . . . ?
C68 C69 C74 O22 5.0(10) . . . . ?
C70 C69 C74 C73 0.1(9) . . . . ?
C68 C69 C74 C73 -177.1(6) . . . . ?
C72 C73 C74 O22 177.2(6) . . . . ?
C72 C73 C74 C69 -0.9(9) . . . . ?
C2 C1 Co1 C5 116.1(7) . . . . ?
C5 C1 Co1 C2 -116.1(7) . . . . ?
C5 C1 Co1 C3 -78.7(5) . . . . ?
C2 C1 Co1 C3 37.4(5) . . . . ?
C5 C1 Co1 P3 57.0(5) . . . . ?
C2 C1 Co1 P3 173.1(4) . . . . ?
C5 C1 Co1 C4 -37.0(4) . . . . ?
C2 C1 Co1 C4 79.1(5) . . . . ?
C5 C1 Co1 P2 -99.5(6) . . . . ?
C2 C1 Co1 P2 16.5(8) . . . . ?
C5 C1 Co1 P1 151.4(4) . . . . ?
C2 C1 Co1 P1 -92.6(5) . . . . ?
C4 C5 Co1 C1 -119.4(7) . . . . ?
C1 C5 Co1 C2 39.6(5) . . . . ?
C4 C5 Co1 C2 -79.9(5) . . . . ?
C1 C5 Co1 C3 82.8(5) . . . . ?
C4 C5 Co1 C3 -36.6(4) . . . . ?
C1 C5 Co1 P3 -130.0(5) . . . . ?
C4 C5 Co1 P3 110.6(4) . . . . ?
C1 C5 Co1 C4 119.4(7) . . . . ?
C1 C5 Co1 P2 137.7(4) . . . . ?
C4 C5 Co1 P2 18.3(6) . . . . ?
C1 C5 Co1 P1 -39.4(6) . . . . ?
C4 C5 Co1 P1 -158.8(3) . . . . ?
C3 C2 Co1 C1 118.2(7) . . . . ?
C3 C2 Co1 C5 79.1(5) . . . . ?
C1 C2 Co1 C5 -39.1(5) . . . . ?
C1 C2 Co1 C3 -118.2(7) . . . . ?
C3 C2 Co1 P3 103.6(6) . . . . ?
C1 C2 Co1 P3 -14.5(9) . . . . ?
C3 C2 Co1 C4 35.8(4) . . . . ?
C1 C2 Co1 C4 -82.4(5) . . . . ?
C3 C2 Co1 P2 -53.5(5) . . . . ?
C1 C2 Co1 P2 -171.7(4) . . . . ?
C3 C2 Co1 P1 -148.7(4) . . . . ?
C1 C2 Co1 P1 93.1(5) . . . . ?
C4 C3 Co1 C1 81.8(5) . . . . ?
C2 C3 Co1 C1 -38.6(5) . . . . ?
C4 C3 Co1 C5 37.8(4) . . . . ?
C2 C3 Co1 C5 -82.6(5) . . . . ?
C4 C3 Co1 C2 120.4(6) . . . . ?
C4 C3 Co1 P3 -18.9(6) . . . . ?
C2 C3 Co1 P3 -139.3(4) . . . . ?
C2 C3 Co1 C4 -120.4(6) . . . . ?
C4 C3 Co1 P2 -107.9(4) . . . . ?
C2 C3 Co1 P2 131.8(4) . . . . ?
C4 C3 Co1 P1 162.3(3) . . . . ?
C2 C3 Co1 P1 42.0(5) . . . . ?
C3 C4 Co1 C1 -81.3(5) . . . . ?
C5 C4 Co1 C1 37.5(4) . . . . ?
C3 C4 Co1 C5 -118.8(6) . . . . ?
C3 C4 Co1 C2 -36.8(4) . . . . ?
C5 C4 Co1 C2 82.0(5) . . . . ?
C5 C4 Co1 C3 118.8(6) . . . . ?
C3 C4 Co1 P3 167.6(4) . . . . ?
C5 C4 Co1 P3 -73.6(4) . . . . ?
C3 C4 Co1 P2 73.8(4) . . . . ?
C5 C4 Co1 P2 -167.4(4) . . . . ?
C3 C4 Co1 P1 -52.3(9) . . . . ?
C5 C4 Co1 P1 66.6(8) . . . . ?
C20 C21 Co2 C22 -118.1(6) . . . . ?
C22 C21 Co2 P5 -154.4(4) . . . . ?
C20 C21 Co2 P5 87.5(4) . . . . ?
C22 C21 Co2 P6 -55.8(4) . . . . ?
C20 C21 Co2 P6 -173.8(3) . . . . ?
C22 C21 Co2 C20 118.1(6) . . . . ?
C22 C21 Co2 C18 38.5(4) . . . . ?
C20 C21 Co2 C18 -79.6(4) . . . . ?
C22 C21 Co2 C19 80.7(4) . . . . ?
C20 C21 Co2 C19 -37.3(4) . . . . ?
C22 C21 Co2 P4 96.5(5) . . . . ?
C20 C21 Co2 P4 -21.5(6) . . . . ?
C18 C22 Co2 C21 116.4(6) . . . . ?
C21 C22 Co2 P5 37.3(5) . . . . ?
C18 C22 Co2 P5 153.7(4) . . . . ?
C21 C22 Co2 P6 131.4(4) . . . . ?
C18 C22 Co2 P6 -112.2(4) . . . . ?
C21 C22 Co2 C20 -37.6(4) . . . . ?
C18 C22 Co2 C20 78.8(5) . . . . ?
C21 C22 Co2 C18 -116.4(6) . . . . ?
C21 C22 Co2 C19 -79.6(4) . . . . ?
C18 C22 Co2 C19 36.8(4) . . . . ?
C21 C22 Co2 P4 -135.1(4) . . . . ?
C18 C22 Co2 P4 -18.7(6) . . . . ?
C19 C20 Co2 C21 -117.5(6) . . . . ?
C21 C20 Co2 C22 38.3(4) . . . . ?
C19 C20 Co2 C22 -79.2(4) . . . . ?
C21 C20 Co2 P5 -98.8(4) . . . . ?
C19 C20 Co2 P5 143.8(4) . . . . ?
C21 C20 Co2 P6 12.7(7) . . . . ?
C19 C20 Co2 P6 -104.8(6) . . . . ?
C21 C20 Co2 C18 81.5(4) . . . . ?
C19 C20 Co2 C18 -35.9(4) . . . . ?
C21 C20 Co2 C19 117.5(6) . . . . ?
C21 C20 Co2 P4 168.4(4) . . . . ?
C19 C20 Co2 P4 50.9(4) . . . . ?
C22 C18 Co2 C21 -39.2(4) . . . . ?
C19 C18 Co2 C21 79.3(5) . . . . ?
C19 C18 Co2 C22 118.5(6) . . . . ?
C22 C18 Co2 P5 -83.5(8) . . . . ?
C19 C18 Co2 P5 35.0(9) . . . . ?
C22 C18 Co2 P6 72.2(4) . . . . ?
C19 C18 Co2 P6 -169.2(4) . . . . ?
C22 C18 Co2 C20 -82.7(5) . . . . ?
C19 C18 Co2 C20 35.9(4) . . . . ?
C22 C18 Co2 C19 -118.5(6) . . . . ?
C22 C18 Co2 P4 166.6(4) . . . . ?
C19 C18 Co2 P4 -74.9(4) . . . . ?
C20 C19 Co2 C21 38.4(4) . . . . ?
C18 C19 Co2 C21 -82.2(5) . . . . ?
C20 C19 Co2 C22 82.9(4) . . . . ?
C18 C19 Co2 C22 -37.8(4) . . . . ?
C20 C19 Co2 P5 -46.5(5) . . . . ?
C18 C19 Co2 P5 -167.2(4) . . . . ?
C20 C19 Co2 P6 137.4(4) . . . . ?
C18 C19 Co2 P6 16.7(6) . . . . ?
C18 C19 Co2 C20 -120.7(6) . . . . ?
C20 C19 Co2 C18 120.7(6) . . . . ?
C20 C19 Co2 P4 -133.5(4) . . . . ?
C18 C19 Co2 P4 105.8(4) . . . . ?
C36 C35 N1 C49 -179.6(5) . . . . ?
C36 C35 N1 Dy1 -6.8(9) . . . . ?
C54 C49 N1 C35 -147.0(6) . . . . ?
C50 C49 N1 C35 38.2(8) . . . . ?
C54 C49 N1 Dy1 38.3(6) . . . . ?
C50 C49 N1 Dy1 -136.5(5) . . . . ?
C43 C42 N2 C54 179.1(5) . . . . ?
C43 C42 N2 Dy1 -0.1(9) . . . . ?
C49 C54 N2 C42 141.6(6) . . . . ?
C53 C54 N2 C42 -40.7(8) . . . . ?
C49 C54 N2 Dy1 -39.0(6) . . . . ?
C53 C54 N2 Dy1 138.6(5) . . . . ?
C62 C61 N3 C58 176.2(6) . . . . ?
C62 C61 N3 Dy2 -5.6(9) . . . . ?
C57 C58 N3 C61 -147.9(6) . . . . ?
C59 C58 N3 C61 34.3(8) . . . . ?
C57 C58 N3 Dy2 33.6(6) . . . . ?
C59 C58 N3 Dy2 -144.2(4) . . . . ?
C69 C68 N4 C57 -178.0(6) . . . . ?
C69 C68 N4 Dy2 3.7(8) . . . . ?
C58 C57 N4 C68 145.0(6) . . . . ?
C56 C57 N4 C68 -36.6(8) . . . . ?
C58 C57 N4 Dy2 -36.5(6) . . . . ?
C56 C57 N4 Dy2 142.0(5) . . . . ?
C7 C6 O1 P1 169.5(4) . . . . ?
C9 C8 O2 P1 115.2(6) . . . . ?
C11 C10 O4 P2 -88.1(7) . . . . ?
C13 C12 O5 P2 -167.7(5) . . . . ?
C15 C14 O7 P3 179.5(5) . . . . ?
C17 C16 O8 P3 -179.6(4) . . . . ?
C36 C41 O10 Dy1 24.7(10) . . . . ?
C40 C41 O10 Dy1 -153.3(5) . . . . ?
C47 C48 O11 Dy1 -172.6(4) . . . . ?
C43 C48 O11 Dy1 5.4(10) . . . . ?
C24 C23 O12 P4 160.3(7) . . . . ?
C26 C25 O13 P4 155.9(6) . . . . ?
C28 C27 O15 P5 129.1(7) . . . . ?
C30 C29 O16 P5 -147.1(6) . . . . ?
C32 C31 O18 P6 -153.2(6) . . . . ?
C34 C33 O19 P6 107.4(7) . . . . ?
C66 C67 O21 Dy2 -163.2(5) . . . . ?
C62 C67 O21 Dy2 16.9(9) . . . . ?
C69 C74 O22 Dy2 -26.6(9) . . . . ?
C73 C74 O22 Dy2 155.4(5) . . . . ?
Dy1 O3 P1 O2 -102.6(4) . . . . ?
Dy1 O3 P1 O1 130.0(3) . . . . ?
Dy1 O3 P1 Co1 24.7(4) . . . . ?
C8 O2 P1 O3 -24.7(6) . . . . ?
C8 O2 P1 O1 94.8(5) . . . . ?
C8 O2 P1 Co1 -156.9(5) . . . . ?
C6 O1 P1 O3 55.0(5) . . . . ?
C6 O1 P1 O2 -65.4(5) . . . . ?
C6 O1 P1 Co1 177.6(4) . . . . ?
C1 Co1 P1 O3 -172.3(3) . . . . ?
C5 Co1 P1 O3 -147.9(4) . . . . ?
C2 Co1 P1 O3 146.7(3) . . . . ?
C3 Co1 P1 O3 121.4(3) . . . . ?
P3 Co1 P1 O3 -57.8(2) . . . . ?
C4 Co1 P1 O3 160.9(7) . . . . ?
P2 Co1 P1 O3 34.1(2) . . . . ?
C1 Co1 P1 O2 -46.6(3) . . . . ?
C5 Co1 P1 O2 -22.2(4) . . . . ?
C2 Co1 P1 O2 -87.6(3) . . . . ?
C3 Co1 P1 O2 -112.9(3) . . . . ?
P3 Co1 P1 O2 67.9(2) . . . . ?
C4 Co1 P1 O2 -73.4(7) . . . . ?
P2 Co1 P1 O2 159.8(2) . . . . ?
C1 Co1 P1 O1 76.6(3) . . . . ?
C5 Co1 P1 O1 100.9(3) . . . . ?
C2 Co1 P1 O1 35.6(3) . . . . ?
C3 Co1 P1 O1 10.2(3) . . . . ?
P3 Co1 P1 O1 -168.97(19) . . . . ?
C4 Co1 P1 O1 49.7(7) . . . . ?
P2 Co1 P1 O1 -77.07(19) . . . . ?
Dy1 O6 P2 O4 -99.6(4) . . . . ?
Dy1 O6 P2 O5 142.0(4) . . . . ?
Dy1 O6 P2 Co1 13.2(5) . . . . ?
C10 O4 P2 O6 -67.5(6) . . . . ?
C10 O4 P2 O5 48.0(7) . . . . ?
C10 O4 P2 Co1 172.0(5) . . . . ?
C12 O5 P2 O6 29.0(6) . . . . ?
C12 O5 P2 O4 -74.8(6) . . . . ?
C12 O5 P2 Co1 161.8(5) . . . . ?
C1 Co1 P2 O6 -161.1(5) . . . . ?
C5 Co1 P2 O6 131.6(4) . . . . ?
C2 Co1 P2 O6 -149.6(3) . . . . ?
C3 Co1 P2 O6 179.7(3) . . . . ?
P3 Co1 P2 O6 40.2(2) . . . . ?
C4 Co1 P2 O6 143.2(3) . . . . ?
P1 Co1 P2 O6 -50.7(2) . . . . ?
C1 Co1 P2 O4 -57.7(6) . . . . ?
C5 Co1 P2 O4 -125.0(4) . . . . ?
C2 Co1 P2 O4 -46.1(3) . . . . ?
C3 Co1 P2 O4 -76.9(3) . . . . ?
P3 Co1 P2 O4 143.6(2) . . . . ?
C4 Co1 P2 O4 -113.4(3) . . . . ?
P1 Co1 P2 O4 52.8(2) . . . . ?
C1 Co1 P2 O5 69.3(5) . . . . ?
C5 Co1 P2 O5 1.9(4) . . . . ?
C2 Co1 P2 O5 80.8(3) . . . . ?
C3 Co1 P2 O5 50.1(3) . . . . ?
P3 Co1 P2 O5 -89.5(2) . . . . ?
C4 Co1 P2 O5 13.5(3) . . . . ?
P1 Co1 P2 O5 179.7(2) . . . . ?
Dy1 O9 P3 O8 138.1(4) . . . . ?
Dy1 O9 P3 O7 -116.1(4) . . . . ?
Dy1 O9 P3 Co1 11.1(5) . . . . ?
C16 O8 P3 O9 34.6(6) . . . . ?
C16 O8 P3 O7 -77.1(6) . . . . ?
C16 O8 P3 Co1 168.1(5) . . . . ?
C14 O7 P3 O9 11.3(6) . . . . ?
C14 O7 P3 O8 123.6(5) . . . . ?
C14 O7 P3 Co1 -122.2(5) . . . . ?
C1 Co1 P3 O9 139.9(3) . . . . ?
C5 Co1 P3 O9 172.6(3) . . . . ?
C2 Co1 P3 O9 150.2(6) . . . . ?
C3 Co1 P3 O9 -137.9(4) . . . . ?
C4 Co1 P3 O9 -149.8(3) . . . . ?
P2 Co1 P3 O9 -50.9(2) . . . . ?
P1 Co1 P3 O9 41.1(2) . . . . ?
C1 Co1 P3 O8 13.5(3) . . . . ?
C5 Co1 P3 O8 46.2(3) . . . . ?
C2 Co1 P3 O8 23.8(6) . . . . ?
C3 Co1 P3 O8 95.6(4) . . . . ?
C4 Co1 P3 O8 83.8(3) . . . . ?
P2 Co1 P3 O8 -177.3(2) . . . . ?
P1 Co1 P3 O8 -85.3(2) . . . . ?
C1 Co1 P3 O7 -94.0(3) . . . . ?
C5 Co1 P3 O7 -61.3(3) . . . . ?
C2 Co1 P3 O7 -83.7(6) . . . . ?
C3 Co1 P3 O7 -11.8(4) . . . . ?
C4 Co1 P3 O7 -23.7(3) . . . . ?
P2 Co1 P3 O7 75.2(2) . . . . ?
P1 Co1 P3 O7 167.2(2) . . . . ?
Dy2 O14 P4 O13 -88.6(4) . . . . ?
Dy2 O14 P4 O12 151.9(4) . . . . ?
Dy2 O14 P4 Co2 30.7(5) . . . . ?
C25 O13 P4 O14 -5.7(6) . . . . ?
C25 O13 P4 O12 107.2(6) . . . . ?
C25 O13 P4 Co2 -134.6(5) . . . . ?
C23 O12 P4 O14 6.8(7) . . . . ?
C23 O12 P4 O13 -108.3(6) . . . . ?
C23 O12 P4 Co2 135.6(6) . . . . ?
C21 Co2 P4 O14 145.1(4) . . . . ?
C22 Co2 P4 O14 -152.1(4) . . . . ?
P5 Co2 P4 O14 33.3(3) . . . . ?
P6 Co2 P4 O14 -59.9(3) . . . . ?
C20 Co2 P4 O14 130.6(3) . . . . ?
C18 Co2 P4 O14 -163.8(3) . . . . ?
C19 Co2 P4 O14 159.4(3) . . . . ?
C21 Co2 P4 O13 -94.6(4) . . . . ?
C22 Co2 P4 O13 -31.8(4) . . . . ?
P5 Co2 P4 O13 153.6(2) . . . . ?
P6 Co2 P4 O13 60.4(2) . . . . ?
C20 Co2 P4 O13 -109.1(3) . . . . ?
C18 Co2 P4 O13 -43.5(3) . . . . ?
C19 Co2 P4 O13 -80.3(3) . . . . ?
C21 Co2 P4 O12 26.7(5) . . . . ?
C22 Co2 P4 O12 89.5(4) . . . . ?
P5 Co2 P4 O12 -85.1(2) . . . . ?
P6 Co2 P4 O12 -178.3(2) . . . . ?
C20 Co2 P4 O12 12.2(3) . . . . ?
C18 Co2 P4 O12 77.8(3) . . . . ?
C19 Co2 P4 O12 41.0(3) . . . . ?
C27 O15 P5 O16 -120.6(7) . . . . ?
C27 O15 P5 O17 -7.5(7) . . . . ?
C27 O15 P5 Co2 123.0(7) . . . . ?
C29 O16 P5 O15 91.7(7) . . . . ?
C29 O16 P5 O17 -13.5(7) . . . . ?
C29 O16 P5 Co2 -150.2(6) . . . . ?
Dy2 O17 P5 O15 153.0(3) . . . . ?
Dy2 O17 P5 O16 -100.8(4) . . . . ?
Dy2 O17 P5 Co2 29.5(4) . . . . ?
C21 Co2 P5 O15 28.9(3) . . . . ?
C22 Co2 P5 O15 5.5(4) . . . . ?
P6 Co2 P5 O15 -87.2(3) . . . . ?
C20 Co2 P5 O15 68.4(3) . . . . ?
C18 Co2 P5 O15 69.2(7) . . . . ?
C19 Co2 P5 O15 95.2(3) . . . . ?
P4 Co2 P5 O15 -180.0(2) . . . . ?
C21 Co2 P5 O16 -82.6(3) . . . . ?
C22 Co2 P5 O16 -106.0(4) . . . . ?
P6 Co2 P5 O16 161.3(3) . . . . ?
C20 Co2 P5 O16 -43.1(3) . . . . ?
C18 Co2 P5 O16 -42.3(8) . . . . ?
C19 Co2 P5 O16 -16.3(4) . . . . ?
P4 Co2 P5 O16 68.5(3) . . . . ?
C21 Co2 P5 O17 146.8(3) . . . . ?
C22 Co2 P5 O17 123.4(4) . . . . ?
P6 Co2 P5 O17 30.7(3) . . . . ?
C20 Co2 P5 O17 -173.6(3) . . . . ?
C18 Co2 P5 O17 -172.8(7) . . . . ?
C19 Co2 P5 O17 -146.8(3) . . . . ?
P4 Co2 P5 O17 -62.0(2) . . . . ?
Dy2 O20 P6 O19 138.6(5) . . . . ?
Dy2 O20 P6 O18 -110.4(5) . . . . ?
Dy2 O20 P6 Co2 2.9(6) . . . . ?
C33 O19 P6 O20 28.1(7) . . . . ?
C33 O19 P6 O18 -80.1(6) . . . . ?
C33 O19 P6 Co2 166.2(5) . . . . ?
C31 O18 P6 O20 -14.6(5) . . . . ?
C31 O18 P6 O19 102.4(5) . . . . ?
C31 O18 P6 Co2 -138.0(4) . . . . ?
C21 Co2 P6 O20 -151.0(3) . . . . ?
C22 Co2 P6 O20 176.9(3) . . . . ?
P5 Co2 P6 O20 -47.6(3) . . . . ?
C20 Co2 P6 O20 -159.8(5) . . . . ?
C18 Co2 P6 O20 139.8(3) . . . . ?
C19 Co2 P6 O20 129.3(4) . . . . ?
P4 Co2 P6 O20 42.8(3) . . . . ?
C21 Co2 P6 O19 73.6(3) . . . . ?
C22 Co2 P6 O19 41.4(3) . . . . ?
P5 Co2 P6 O19 177.0(2) . . . . ?
C20 Co2 P6 O19 64.7(5) . . . . ?
C18 Co2 P6 O19 4.4(3) . . . . ?
C19 Co2 P6 O19 -6.2(4) . . . . ?
P4 Co2 P6 O19 -92.7(2) . . . . ?
C21 Co2 P6 O18 -40.2(3) . . . . ?
C22 Co2 P6 O18 -72.3(3) . . . . ?
P5 Co2 P6 O18 63.2(2) . . . . ?
C20 Co2 P6 O18 -49.0(5) . . . . ?
C18 Co2 P6 O18 -109.4(3) . . . . ?
C19 Co2 P6 O18 -119.9(4) . . . . ?
P4 Co2 P6 O18 153.55(19) . . . . ?
C41 O10 Dy1 O11 -144.2(6) . . . . ?
C41 O10 Dy1 O6 52.0(6) . . . . ?
C41 O10 Dy1 O9 82.6(8) . . . . ?
C41 O10 Dy1 O3 129.6(6) . . . . ?
C41 O10 Dy1 N1 -23.5(6) . . . . ?
C41 O10 Dy1 N2 -71.7(6) . . . . ?
C48 O11 Dy1 O10 113.5(6) . . . . ?
C48 O11 Dy1 O6 -153.7(6) . . . . ?
C48 O11 Dy1 O9 -78.9(6) . . . . ?
C48 O11 Dy1 O3 -160.0(6) . . . . ?
C48 O11 Dy1 N1 41.5(7) . . . . ?
C48 O11 Dy1 N2 -2.1(6) . . . . ?
P2 O6 Dy1 O10 122.1(4) . . . . ?
P2 O6 Dy1 O11 28.3(8) . . . . ?
P2 O6 Dy1 O9 -49.2(4) . . . . ?
P2 O6 Dy1 O3 34.7(4) . . . . ?
P2 O6 Dy1 N1 -165.3(4) . . . . ?
P2 O6 Dy1 N2 -119.6(4) . . . . ?
P3 O9 Dy1 O10 2.6(8) . . . . ?
P3 O9 Dy1 O11 -130.4(4) . . . . ?
P3 O9 Dy1 O6 33.8(4) . . . . ?
P3 O9 Dy1 O3 -45.0(4) . . . . ?
P3 O9 Dy1 N1 102.7(4) . . . . ?
P3 O9 Dy1 N2 159.2(4) . . . . ?
P1 O3 Dy1 O10 -143.5(4) . . . . ?
P1 O3 Dy1 O11 121.9(4) . . . . ?
P1 O3 Dy1 O6 -56.3(4) . . . . ?
P1 O3 Dy1 O9 24.1(4) . . . . ?
P1 O3 Dy1 N1 -92.7(4) . . . . ?
P1 O3 Dy1 N2 76.8(5) . . . . ?
C35 N1 Dy1 O10 13.6(6) . . . . ?
C49 N1 Dy1 O10 -173.3(4) . . . . ?
C35 N1 Dy1 O11 98.2(6) . . . . ?
C49 N1 Dy1 O11 -88.7(4) . . . . ?
C35 N1 Dy1 O6 -77.5(6) . . . . ?
C49 N1 Dy1 O6 95.6(4) . . . . ?
C35 N1 Dy1 O9 -148.8(6) . . . . ?
C49 N1 Dy1 O9 24.3(4) . . . . ?
C35 N1 Dy1 O3 -40.6(7) . . . . ?
C49 N1 Dy1 O3 132.5(4) . . . . ?
C35 N1 Dy1 N2 145.2(6) . . . . ?
C49 N1 Dy1 N2 -41.7(3) . . . . ?
C42 N2 Dy1 O10 -87.1(5) . . . . ?
C54 N2 Dy1 O10 93.6(3) . . . . ?
C42 N2 Dy1 O11 -0.8(5) . . . . ?
C54 N2 Dy1 O11 180.0(4) . . . . ?
C42 N2 Dy1 O6 170.3(5) . . . . ?
C54 N2 Dy1 O6 -8.9(4) . . . . ?
C42 N2 Dy1 O9 100.3(5) . . . . ?
C54 N2 Dy1 O9 -79.0(3) . . . . ?
C42 N2 Dy1 O3 47.1(6) . . . . ?
C54 N2 Dy1 O3 -132.2(4) . . . . ?
C42 N2 Dy1 N1 -139.4(5) . . . . ?
C54 N2 Dy1 N1 41.4(3) . . . . ?
C74 O22 Dy2 O21 142.8(6) . . . . ?
C74 O22 Dy2 O20 -122.2(6) . . . . ?
C74 O22 Dy2 O14 -81.6(9) . . . . ?
C74 O22 Dy2 O17 -48.7(6) . . . . ?
C74 O22 Dy2 N4 24.7(5) . . . . ?
C74 O22 Dy2 N3 72.9(6) . . . . ?
C67 O21 Dy2 O22 -135.8(6) . . . . ?
C67 O21 Dy2 O20 138.7(6) . . . . ?
C67 O21 Dy2 O14 53.3(6) . . . . ?
C67 O21 Dy2 O17 137.1(8) . . . . ?
C67 O21 Dy2 N4 -62.7(6) . . . . ?
C67 O21 Dy2 N3 -17.9(6) . . . . ?
P6 O20 Dy2 O22 135.4(5) . . . . ?
P6 O20 Dy2 O21 -134.0(5) . . . . ?
P6 O20 Dy2 O14 -36.2(5) . . . . ?
P6 O20 Dy2 O17 45.6(5) . . . . ?
P6 O20 Dy2 N4 77.4(6) . . . . ?
P6 O20 Dy2 N3 -76.1(7) . . . . ?
P4 O14 Dy2 O22 -26.9(10) . . . . ?
P4 O14 Dy2 O21 108.1(4) . . . . ?
P4 O14 Dy2 O20 13.7(4) . . . . ?
P4 O14 Dy2 O17 -60.3(4) . . . . ?
P4 O14 Dy2 N4 -129.4(4) . . . . ?
P4 O14 Dy2 N3 176.6(4) . . . . ?
P5 O17 Dy2 O22 -145.0(4) . . . . ?
P5 O17 Dy2 O21 -57.6(10) . . . . ?
P5 O17 Dy2 O20 -59.3(3) . . . . ?
P5 O17 Dy2 O14 28.0(3) . . . . ?
P5 O17 Dy2 N4 140.6(4) . . . . ?
P5 O17 Dy2 N3 95.2(4) . . . . ?
C68 N4 Dy2 O22 -12.1(5) . . . . ?
C57 N4 Dy2 O22 169.5(4) . . . . ?
C68 N4 Dy2 O21 -95.0(5) . . . . ?
C57 N4 Dy2 O21 86.6(4) . . . . ?
C68 N4 Dy2 O20 49.2(6) . . . . ?
C57 N4 Dy2 O20 -129.1(4) . . . . ?
C68 N4 Dy2 O14 154.9(5) . . . . ?
C57 N4 Dy2 O14 -23.5(4) . . . . ?
C68 N4 Dy2 O17 80.9(5) . . . . ?
C57 N4 Dy2 O17 -97.4(4) . . . . ?
C68 N4 Dy2 N3 -143.7(5) . . . . ?
C57 N4 Dy2 N3 38.0(4) . . . . ?
C61 N3 Dy2 O22 91.6(5) . . . . ?
C58 N3 Dy2 O22 -90.0(4) . . . . ?
C61 N3 Dy2 O21 10.1(5) . . . . ?
C58 N3 Dy2 O21 -171.6(4) . . . . ?
C61 N3 Dy2 O20 -52.7(7) . . . . ?
C58 N3 Dy2 O20 125.7(4) . . . . ?
C61 N3 Dy2 O14 -94.0(5) . . . . ?
C58 N3 Dy2 O14 84.3(4) . . . . ?
C61 N3 Dy2 O17 -164.4(5) . . . . ?
C58 N3 Dy2 O17 13.9(4) . . . . ?
C61 N3 Dy2 N4 145.5(5) . . . . ?
C58 N3 Dy2 N4 -36.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.147
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.131
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1403114'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C74 H92 Cl4 Co2 N4 O22 P6 Tb2'
_chemical_formula_sum            'C74 H92 Cl4 Co2 N4 O22 P6 Tb2'
_chemical_formula_weight         2152.84

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.1964(13)
_cell_length_b                   18.5225(14)
_cell_length_c                   18.7909(12)
_cell_angle_alpha                68.1230(10)
_cell_angle_beta                 82.7660(10)
_cell_angle_gamma                73.739(2)
_cell_volume                     5330.5(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    6143
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      21.71

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2164
_exptl_absorpt_coefficient_mu    1.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7
_exptl_absorpt_correction_T_max  0.8
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32554
_diffrn_reflns_av_R_equivalents  0.0173
_diffrn_reflns_av_sigmaI/netI    0.0661
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.17
_diffrn_reflns_theta_max         26.00
_reflns_number_total             20868
_reflns_number_gt                12708
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 -0.171 0.171 1237 90 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.065P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         20868
_refine_ls_number_parameters     1039
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0526
_refine_ls_wR_factor_ref         0.1390
_refine_ls_wR_factor_gt          0.1381
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7560(5) -0.0584(4) 0.4973(4) 0.080(2) Uani 1 1 d . . .
H1 H 0.7062 -0.0768 0.5117 0.096 Uiso 1 1 calc R . .
C2 C 0.8010(5) -0.0429(4) 0.5460(4) 0.077(2) Uani 1 1 d . . .
H2 H 0.7869 -0.0474 0.5994 0.092 Uiso 1 1 calc R . .
C3 C 0.8714(4) -0.0223(4) 0.5045(4) 0.0720(19) Uani 1 1 d . . .
H3 H 0.9132 -0.0078 0.5236 0.086 Uiso 1 1 calc R . .
C4 C 0.8699(4) -0.0251(4) 0.4302(4) 0.0687(18) Uani 1 1 d . . .
H4 H 0.9104 -0.0128 0.3890 0.082 Uiso 1 1 calc R . .
C5 C 0.7986(4) -0.0474(4) 0.4258(4) 0.0732(19) Uani 1 1 d . . .
H5 H 0.7825 -0.0555 0.3816 0.088 Uiso 1 1 calc R . .
C6 C 0.6398(4) 0.1060(4) 0.6417(4) 0.0666(19) Uani 1 1 d . . .
H6A H 0.5879 0.0930 0.6476 0.080 Uiso 1 1 calc R . .
H6B H 0.6311 0.1626 0.6333 0.080 Uiso 1 1 calc R . .
C7 C 0.6936(4) 0.0526(4) 0.7097(4) 0.0683(19) Uani 1 1 d . . .
H7A H 0.6699 0.0097 0.7417 0.102 Uiso 1 1 calc R . .
H7B H 0.6987 0.0839 0.7389 0.102 Uiso 1 1 calc R . .
H7C H 0.7462 0.0304 0.6916 0.102 Uiso 1 1 calc R . .
C8 C 0.4938(4) 0.1223(4) 0.4938(4) 0.0643(18) Uani 1 1 d . . .
H8A H 0.4914 0.1686 0.5073 0.077 Uiso 1 1 calc R . .
H8B H 0.4663 0.0874 0.5348 0.077 Uiso 1 1 calc R . .
C9 C 0.4471(4) 0.1510(4) 0.4219(4) 0.0679(18) Uani 1 1 d . . .
H9A H 0.4721 0.1873 0.3810 0.102 Uiso 1 1 calc R . .
H9B H 0.3924 0.1783 0.4302 0.102 Uiso 1 1 calc R . .
H9C H 0.4470 0.1058 0.4086 0.102 Uiso 1 1 calc R . .
C10 C 0.8488(4) 0.2157(5) 0.5365(4) 0.072(2) Uani 1 1 d . . .
H10A H 0.8174 0.2360 0.5748 0.086 Uiso 1 1 calc R . .
H10B H 0.8506 0.2615 0.4899 0.086 Uiso 1 1 calc R . .
C11 C 0.9318(4) 0.1751(5) 0.5636(4) 0.076(2) Uani 1 1 d . . .
H11A H 0.9304 0.1320 0.6117 0.115 Uiso 1 1 calc R . .
H11B H 0.9559 0.2129 0.5704 0.115 Uiso 1 1 calc R . .
H11C H 0.9631 0.1539 0.5266 0.115 Uiso 1 1 calc R . .
C12 C 0.9453(4) 0.2039(5) 0.3725(4) 0.076(2) Uani 1 1 d . . .
H12A H 0.9623 0.2146 0.4141 0.091 Uiso 1 1 calc R . .
H12B H 0.9092 0.2527 0.3403 0.091 Uiso 1 1 calc R . .
C13 C 1.0182(4) 0.1762(5) 0.3260(4) 0.076(2) Uani 1 1 d . . .
H13A H 1.0626 0.1438 0.3595 0.115 Uiso 1 1 calc R . .
H13B H 1.0334 0.2222 0.2885 0.115 Uiso 1 1 calc R . .
H13C H 1.0049 0.1451 0.3006 0.115 Uiso 1 1 calc R . .
C14 C 0.7992(5) 0.1889(4) 0.2153(4) 0.0716(19) Uani 1 1 d . . .
H14A H 0.8099 0.2208 0.2421 0.086 Uiso 1 1 calc R . .
H14B H 0.7493 0.2191 0.1880 0.086 Uiso 1 1 calc R . .
C15 C 0.8639(4) 0.1841(5) 0.1579(4) 0.0710(19) Uani 1 1 d . . .
H15D H 0.8889 0.1288 0.1648 0.106 Uiso 1 1 calc R . .
H15E H 0.9036 0.2090 0.1635 0.106 Uiso 1 1 calc R . .
H15F H 0.8418 0.2115 0.1075 0.106 Uiso 1 1 calc R . .
C16 C 0.6097(4) 0.0912(4) 0.2639(4) 0.0624(17) Uani 1 1 d . . .
H16A H 0.6388 0.1084 0.2154 0.075 Uiso 1 1 calc R . .
H16B H 0.5674 0.1375 0.2665 0.075 Uiso 1 1 calc R . .
C17 C 0.5701(4) 0.0297(4) 0.2628(3) 0.0610(17) Uani 1 1 d . . .
H17A H 0.6031 -0.0005 0.2331 0.091 Uiso 1 1 calc R . .
H17B H 0.5179 0.0560 0.2402 0.091 Uiso 1 1 calc R . .
H17C H 0.5638 -0.0059 0.3143 0.091 Uiso 1 1 calc R . .
C18 C 1.0963(4) 0.0566(4) -0.2030(4) 0.0718(19) Uani 1 1 d . . .
H18 H 1.0715 0.0815 -0.2535 0.086 Uiso 1 1 calc R . .
C19 C 1.0540(5) 0.0409(4) -0.1311(4) 0.0703(19) Uani 1 1 d . . .
H19 H 0.9950 0.0550 -0.1233 0.084 Uiso 1 1 calc R . .
C20 C 1.1122(4) 0.0046(4) -0.0725(4) 0.0631(17) Uani 1 1 d . . .
H20 H 1.1005 -0.0134 -0.0171 0.076 Uiso 1 1 calc R . .
C21 C 1.1905(4) -0.0022(4) -0.1082(4) 0.0639(17) Uani 1 1 d . . .
H21 H 1.2421 -0.0291 -0.0818 0.077 Uiso 1 1 calc R . .
C22 C 1.1806(4) 0.0299(4) -0.1888(4) 0.0674(18) Uani 1 1 d . . .
H22 H 1.2242 0.0294 -0.2277 0.081 Uiso 1 1 calc R . .
C23 C 0.9060(4) 0.2326(5) -0.0588(5) 0.081(2) Uani 1 1 d . . .
H23A H 0.8942 0.2881 -0.0936 0.098 Uiso 1 1 calc R . .
H23B H 0.9391 0.2288 -0.0188 0.098 Uiso 1 1 calc R . .
C24 C 0.8279(4) 0.2170(5) -0.0220(5) 0.091(2) Uani 1 1 d . . .
H24A H 0.8049 0.2528 0.0056 0.136 Uiso 1 1 calc R . .
H24B H 0.8370 0.1624 0.0130 0.136 Uiso 1 1 calc R . .
H24C H 0.7912 0.2257 -0.0606 0.136 Uiso 1 1 calc R . .
C25 C 0.9773(5) 0.3311(5) -0.2948(4) 0.088(2) Uani 1 1 d . . .
H25A H 0.9203 0.3519 -0.2846 0.106 Uiso 1 1 calc R . .
H25B H 1.0074 0.3595 -0.2790 0.106 Uiso 1 1 calc R . .
C26 C 0.9894(4) 0.3500(5) -0.3769(4) 0.082(2) Uani 1 1 d . . .
H26A H 1.0237 0.3038 -0.3867 0.122 Uiso 1 1 calc R . .
H26B H 1.0145 0.3941 -0.3980 0.122 Uiso 1 1 calc R . .
H26C H 0.9380 0.3647 -0.4002 0.122 Uiso 1 1 calc R . .
C27 C 1.3225(5) 0.0995(5) -0.0100(4) 0.085(2) Uani 1 1 d . . .
H27A H 1.3169 0.1561 -0.0208 0.102 Uiso 1 1 calc R . .
H27B H 1.3649 0.0810 -0.0432 0.102 Uiso 1 1 calc R . .
C28 C 1.3406(5) 0.0501(5) 0.0745(4) 0.082(2) Uani 1 1 d . . .
H28A H 1.3050 0.0765 0.1060 0.124 Uiso 1 1 calc R . .
H28B H 1.3958 0.0451 0.0838 0.124 Uiso 1 1 calc R . .
H28C H 1.3323 -0.0024 0.0867 0.124 Uiso 1 1 calc R . .
C29 C 1.0938(5) 0.1666(5) 0.0642(4) 0.078(2) Uani 1 1 d . . .
H29A H 1.0476 0.2118 0.0445 0.094 Uiso 1 1 calc R . .
H29B H 1.1399 0.1884 0.0604 0.094 Uiso 1 1 calc R . .
C30 C 1.0773(4) 0.1248(5) 0.1465(4) 0.075(2) Uani 1 1 d . . .
H30A H 1.0907 0.0678 0.1575 0.112 Uiso 1 1 calc R . .
H30B H 1.0209 0.1431 0.1583 0.112 Uiso 1 1 calc R . .
H30C H 1.1095 0.1363 0.1771 0.112 Uiso 1 1 calc R . .
C31 C 1.3445(4) 0.2053(5) -0.2048(4) 0.083(2) Uani 1 1 d . . .
H31A H 1.3365 0.2180 -0.1583 0.100 Uiso 1 1 calc R . .
H31B H 1.3257 0.2551 -0.2472 0.100 Uiso 1 1 calc R . .
C32 C 1.4351(5) 0.1728(6) -0.2168(5) 0.106(3) Uani 1 1 d . . .
H32A H 1.4577 0.1328 -0.1696 0.159 Uiso 1 1 calc R . .
H32B H 1.4612 0.2160 -0.2328 0.159 Uiso 1 1 calc R . .
H32C H 1.4433 0.1491 -0.2556 0.159 Uiso 1 1 calc R . .
C33 C 1.2203(4) 0.2411(5) -0.3777(4) 0.076(2) Uani 1 1 d . . .
H33A H 1.2243 0.2889 -0.3701 0.091 Uiso 1 1 calc R . .
H33B H 1.1770 0.2577 -0.4134 0.091 Uiso 1 1 calc R . .
C34 C 1.2987(4) 0.2090(5) -0.4150(4) 0.081(2) Uani 1 1 d . . .
H34A H 1.3243 0.1558 -0.3818 0.122 Uiso 1 1 calc R . .
H34B H 1.3341 0.2435 -0.4239 0.122 Uiso 1 1 calc R . .
H34C H 1.2874 0.2071 -0.4630 0.122 Uiso 1 1 calc R . .
C35 C 0.7491(3) 0.4522(4) 0.3183(3) 0.0546(15) Uani 1 1 d . . .
H35 H 0.7818 0.4824 0.2837 0.066 Uiso 1 1 calc R . .
C36 C 0.7312(4) 0.4566(4) 0.3982(4) 0.0662(18) Uani 1 1 d . . .
C37 C 0.7753(4) 0.5011(5) 0.4139(4) 0.0696(19) Uani 1 1 d . . .
H37 H 0.8076 0.5283 0.3757 0.084 Uiso 1 1 calc R . .
C38 C 0.7711(4) 0.5050(5) 0.4868(4) 0.0698(19) Uani 1 1 d . . .
C39 C 0.7229(4) 0.4643(4) 0.5440(4) 0.0676(19) Uani 1 1 d . . .
H39 H 0.7201 0.4669 0.5928 0.081 Uiso 1 1 calc R . .
C40 C 0.6788(4) 0.4198(4) 0.5282(3) 0.0589(17) Uani 1 1 d . . .
H40 H 0.6465 0.3926 0.5665 0.071 Uiso 1 1 calc R . .
C41 C 0.6829(4) 0.4159(4) 0.4553(3) 0.0555(16) Uani 1 1 d . . .
C42 C 0.5387(4) 0.4267(4) 0.1924(4) 0.0543(15) Uani 1 1 d . . .
H42 H 0.5413 0.4552 0.1400 0.065 Uiso 1 1 calc R . .
C43 C 0.4566(4) 0.4233(4) 0.2306(4) 0.0570(16) Uani 1 1 d . . .
C44 C 0.3919(4) 0.4686(4) 0.1822(3) 0.0616(17) Uani 1 1 d . . .
H44 H 0.4014 0.4930 0.1300 0.074 Uiso 1 1 calc R . .
C45 C 0.3130(4) 0.4775(4) 0.2119(4) 0.0659(18) Uani 1 1 d . . .
C46 C 0.2988(4) 0.4411(4) 0.2900(4) 0.0683(19) Uani 1 1 d . . .
H46 H 0.2460 0.4470 0.3098 0.082 Uiso 1 1 calc R . .
C47 C 0.3635(4) 0.3958(4) 0.3384(4) 0.0652(18) Uani 1 1 d . . .
H47 H 0.3540 0.3714 0.3906 0.078 Uiso 1 1 calc R . .
C48 C 0.4424(4) 0.3869(4) 0.3087(3) 0.0575(17) Uani 1 1 d . . .
C49 C 0.7400(4) 0.4061(4) 0.2211(3) 0.0538(15) Uani 1 1 d . . .
C50 C 0.8130(3) 0.4087(3) 0.1851(3) 0.0490(14) Uani 1 1 d . . .
H50 H 0.8529 0.4168 0.2083 0.059 Uiso 1 1 calc R . .
C51 C 0.8294(3) 0.3995(4) 0.1144(3) 0.0518(15) Uani 1 1 d . . .
C52 C 0.7688(3) 0.3960(4) 0.0739(3) 0.0537(15) Uani 1 1 d . . .
H52 H 0.7780 0.3957 0.0242 0.064 Uiso 1 1 calc R . .
C53 C 0.6912(4) 0.3928(4) 0.1125(3) 0.0581(16) Uani 1 1 d . . .
H53 H 0.6494 0.3876 0.0893 0.070 Uiso 1 1 calc R . .
C54 C 0.6802(3) 0.3978(3) 0.1866(3) 0.0489(14) Uani 1 1 d . . .
C55 C 0.9817(4) 0.3633(4) 0.1145(3) 0.0596(16) Uani 1 1 d . . .
H55 H 0.9777 0.3445 0.1678 0.071 Uiso 1 1 calc R . .
C56 C 1.0568(4) 0.3560(4) 0.0825(3) 0.0592(16) Uani 1 1 d . . .
H56 H 1.1022 0.3318 0.1130 0.071 Uiso 1 1 calc R . .
C57 C 1.0656(4) 0.3868(4) -0.0010(3) 0.0552(15) Uani 1 1 d . . .
C58 C 0.9974(4) 0.4224(4) -0.0431(3) 0.0572(16) Uani 1 1 d . . .
C59 C 0.9169(3) 0.4297(3) -0.0071(3) 0.0429(13) Uani 1 1 d . . .
H59 H 0.8707 0.4554 -0.0363 0.051 Uiso 1 1 calc R . .
C60 C 0.9114(4) 0.3957(4) 0.0756(3) 0.0547(15) Uani 1 1 d . . .
C61 C 0.9563(4) 0.5110(4) -0.1667(4) 0.0595(17) Uani 1 1 d . . .
H61 H 0.9115 0.5334 -0.1416 0.071 Uiso 1 1 calc R . .
C62 C 0.9584(4) 0.5503(4) -0.2477(4) 0.0567(16) Uani 1 1 d . . .
C63 C 0.8941(4) 0.6115(4) -0.2793(3) 0.0549(15) Uani 1 1 d . . .
H63 H 0.8501 0.6260 -0.2488 0.066 Uiso 1 1 calc R . .
C64 C 0.8947(4) 0.6524(4) -0.3581(4) 0.0602(16) Uani 1 1 d . . .
C65 C 0.9515(4) 0.6254(5) -0.4034(4) 0.078(2) Uani 1 1 d . . .
H65 H 0.9450 0.6486 -0.4562 0.093 Uiso 1 1 calc R . .
C66 C 1.0165(4) 0.5673(4) -0.3767(4) 0.0563(15) Uani 1 1 d . . .
H66 H 1.0585 0.5546 -0.4099 0.068 Uiso 1 1 calc R . .
C67 C 1.0219(4) 0.5232(4) -0.2947(4) 0.0537(15) Uani 1 1 d . . .
C68 C 1.2027(4) 0.3910(4) -0.0140(3) 0.0558(15) Uani 1 1 d . . .
H68 H 1.1960 0.3978 0.0332 0.067 Uiso 1 1 calc R . .
C69 C 1.2804(4) 0.3897(4) -0.0515(3) 0.0597(16) Uani 1 1 d . . .
C70 C 1.3402(4) 0.3907(4) -0.0088(4) 0.0647(18) Uani 1 1 d . . .
H70 H 1.3278 0.3934 0.0399 0.078 Uiso 1 1 calc R . .
C71 C 1.4187(4) 0.3876(5) -0.0389(4) 0.0733(19) Uani 1 1 d . . .
C72 C 1.4373(4) 0.3835(4) -0.1117(4) 0.0697(19) Uani 1 1 d . . .
H72 H 1.4898 0.3814 -0.1318 0.084 Uiso 1 1 calc R . .
C73 C 1.3774(4) 0.3826(4) -0.1544(4) 0.0618(17) Uani 1 1 d . . .
H73 H 1.3899 0.3798 -0.2031 0.074 Uiso 1 1 calc R . .
C74 C 1.2990(4) 0.3857(4) -0.1243(4) 0.0547(15) Uani 1 1 d . . .
Cl1 Cl 0.82728(10) 0.55776(10) 0.51003(9) 0.0616(4) Uani 1 1 d . . .
Cl2 Cl 0.23271(10) 0.53351(11) 0.15106(9) 0.0701(5) Uani 1 1 d . . .
Cl3 Cl 0.80976(10) 0.73663(10) -0.39763(9) 0.0634(4) Uani 1 1 d . . .
Cl4 Cl 1.49185(10) 0.39207(11) 0.01359(9) 0.0684(4) Uani 1 1 d . . .
Co1 Co 0.76256(5) 0.05875(5) 0.44939(5) 0.0582(2) Uani 1 1 d . . .
Co2 Co 1.13583(6) 0.11834(6) -0.14208(5) 0.0690(3) Uani 1 1 d . . .
N1 N 0.7193(3) 0.4077(3) 0.2997(3) 0.0528(12) Uani 1 1 d . . .
N2 N 0.6053(3) 0.3920(3) 0.2289(3) 0.0560(13) Uani 1 1 d . . .
N3 N 1.0066(3) 0.4491(3) -0.1226(3) 0.0585(13) Uani 1 1 d . . .
N4 N 1.1371(3) 0.3829(3) -0.0424(3) 0.0537(12) Uani 1 1 d . . .
O1 O 0.6883(3) 0.0846(3) 0.5824(2) 0.0639(11) Uani 1 1 d . . .
O2 O 0.5789(3) 0.0790(3) 0.4916(3) 0.0688(12) Uani 1 1 d . . .
O3 O 0.6206(2) 0.2032(3) 0.4760(2) 0.0630(11) Uani 1 1 d . . .
O4 O 0.8083(3) 0.1655(3) 0.5214(2) 0.0728(13) Uani 1 1 d . . .
O5 O 0.9050(3) 0.1401(3) 0.4024(2) 0.0689(12) Uani 1 1 d . . .
O6 O 0.7652(3) 0.2423(3) 0.4014(2) 0.0656(12) Uani 1 1 d . . .
O7 O 0.7836(2) 0.1166(3) 0.2729(2) 0.0656(12) Uani 1 1 d . . .
O8 O 0.6617(3) 0.0697(3) 0.3208(3) 0.0662(12) Uani 1 1 d . . .
O9 O 0.6640(3) 0.2089(3) 0.3134(2) 0.0701(12) Uani 1 1 d . . .
O10 O 0.6397(2) 0.3747(3) 0.4408(2) 0.0553(10) Uani 1 1 d . . .
O11 O 0.5044(2) 0.3441(3) 0.3567(2) 0.0552(10) Uani 1 1 d . . .
O12 O 0.9541(3) 0.1864(3) -0.0996(3) 0.0757(13) Uani 1 1 d . . .
O13 O 1.0012(3) 0.2458(3) -0.2468(3) 0.0704(12) Uani 1 1 d . . .
O14 O 1.0229(3) 0.2955(3) -0.1460(3) 0.0713(13) Uani 1 1 d . . .
O15 O 1.2510(3) 0.0860(3) -0.0190(3) 0.0795(14) Uani 1 1 d . . .
O16 O 1.1090(3) 0.1233(4) 0.0175(3) 0.0999(18) Uani 1 1 d . . .
O17 O 1.1862(3) 0.2300(3) -0.0682(3) 0.0745(13) Uani 1 1 d . . .
O18 O 1.2944(3) 0.1510(3) -0.1987(3) 0.0754(13) Uani 1 1 d . . .
O19 O 1.1972(3) 0.1877(3) -0.3059(2) 0.0723(13) Uani 1 1 d . . .
O20 O 1.1912(3) 0.2740(3) -0.2245(3) 0.0717(13) Uani 1 1 d . . .
O21 O 1.0825(3) 0.4636(3) -0.2655(2) 0.0603(11) Uani 1 1 d . . .
O22 O 1.2435(2) 0.3879(3) -0.1712(2) 0.0643(12) Uani 1 1 d . . .
P1 P 0.65103(11) 0.11210(12) 0.50049(10) 0.0668(5) Uani 1 1 d . . .
P2 P 0.81559(10) 0.15488(11) 0.44023(10) 0.0580(4) Uani 1 1 d . . .
P3 P 0.71327(10) 0.12099(11) 0.33714(10) 0.0568(4) Uani 1 1 d . . .
P4 P 1.02336(12) 0.21841(12) -0.15830(11) 0.0688(5) Uani 1 1 d . . .
P5 P 1.16830(12) 0.14506(12) -0.05459(11) 0.0668(5) Uani 1 1 d . . .
P6 P 1.20000(12) 0.19073(12) -0.22396(11) 0.0692(5) Uani 1 1 d . . .
Tb1 Tb 0.638386(18) 0.308059(19) 0.365606(17) 0.05194(10) Uani 1 1 d . . .
Tb2 Tb 1.127929(18) 0.35664(2) -0.161096(17) 0.05801(11) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C5 1.420(9) . ?
C1 C2 1.420(10) . ?
C1 Co1 2.046(7) . ?
C1 H1 0.9800 . ?
C2 C3 1.420(9) . ?
C2 Co1 2.082(8) . ?
C2 H2 0.9800 . ?
C3 C4 1.420(9) . ?
C3 Co1 2.141(7) . ?
C3 H3 0.9800 . ?
C4 C5 1.420(9) . ?
C4 Co1 2.143(7) . ?
C4 H4 0.9800 . ?
C5 Co1 2.085(7) . ?
C5 H5 0.9800 . ?
C6 O1 1.416(6) . ?
C6 C7 1.521(9) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O2 1.463(7) . ?
C8 C9 1.499(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O4 1.429(7) . ?
C10 C11 1.469(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O5 1.434(8) . ?
C12 C13 1.516(8) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O7 1.443(8) . ?
C14 C15 1.458(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15D 0.9600 . ?
C15 H15E 0.9600 . ?
C15 H15F 0.9600 . ?
C16 O8 1.350(7) . ?
C16 C17 1.489(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C22 1.420(9) . ?
C18 C19 1.420(9) . ?
C18 Co2 2.166(7) . ?
C18 H18 0.9800 . ?
C19 C20 1.420(9) . ?
C19 Co2 2.217(7) . ?
C19 H19 0.9800 . ?
C20 C21 1.420(9) . ?
C20 Co2 2.146(7) . ?
C20 H20 0.9800 . ?
C21 C22 1.420(9) . ?
C21 Co2 2.047(7) . ?
C21 H21 0.9800 . ?
C22 Co2 2.060(7) . ?
C22 H22 0.9800 . ?
C23 O12 1.391(8) . ?
C23 C24 1.483(9) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.450(9) . ?
C25 O13 1.465(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 O15 1.364(8) . ?
C27 C28 1.528(10) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 O16 1.353(8) . ?
C29 C30 1.482(9) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 O18 1.465(8) . ?
C31 C32 1.525(10) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 O19 1.431(8) . ?
C33 C34 1.512(9) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 N1 1.249(7) . ?
C35 C36 1.522(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.390(8) . ?
C36 C41 1.390(8) . ?
C37 C38 1.390(8) . ?
C37 H37 0.9300 . ?
C38 C39 1.390(9) . ?
C38 Cl1 1.740(6) . ?
C39 C40 1.390(8) . ?
C39 H39 0.9300 . ?
C40 C41 1.390(7) . ?
C40 H40 0.9300 . ?
C41 O10 1.316(6) . ?
C42 N2 1.285(7) . ?
C42 C43 1.508(8) . ?
C42 H42 0.9300 . ?
C43 C44 1.390(9) . ?
C43 C48 1.390(8) . ?
C44 C45 1.390(8) . ?
C44 H44 0.9300 . ?
C45 C46 1.390(9) . ?
C45 Cl2 1.733(6) . ?
C46 C47 1.390(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.390(8) . ?
C47 H47 0.9300 . ?
C48 O11 1.347(7) . ?
C49 C50 1.353(7) . ?
C49 C54 1.354(8) . ?
C49 N1 1.483(7) . ?
C50 C51 1.386(7) . ?
C50 H50 0.9300 . ?
C51 C52 1.396(8) . ?
C51 C60 1.499(8) . ?
C52 C53 1.442(8) . ?
C52 H52 0.9300 . ?
C53 C54 1.415(7) . ?
C53 H53 0.9300 . ?
C54 N2 1.435(7) . ?
C55 C56 1.346(8) . ?
C55 C60 1.359(8) . ?
C55 H55 0.9300 . ?
C56 C57 1.460(8) . ?
C56 H56 0.9300 . ?
C57 C58 1.359(8) . ?
C57 N4 1.369(7) . ?
C58 N3 1.392(7) . ?
C58 C59 1.456(8) . ?
C59 C60 1.445(7) . ?
C59 H59 0.9300 . ?
C61 N3 1.292(8) . ?
C61 C62 1.422(9) . ?
C61 H61 0.9300 . ?
C62 C63 1.349(9) . ?
C62 C67 1.416(8) . ?
C63 C64 1.390(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.328(9) . ?
C64 Cl3 1.803(7) . ?
C65 C66 1.313(9) . ?
C65 H65 0.9300 . ?
C66 C67 1.451(8) . ?
C66 H66 0.9300 . ?
C67 O21 1.286(7) . ?
C68 N4 1.373(7) . ?
C68 C69 1.428(8) . ?
C68 H68 0.9300 . ?
C69 C70 1.390(8) . ?
C69 C74 1.390(8) . ?
C70 C71 1.390(8) . ?
C70 H70 0.9300 . ?
C71 C72 1.390(9) . ?
C71 Cl4 1.730(7) . ?
C72 C73 1.390(9) . ?
C72 H72 0.9300 . ?
C73 C74 1.390(8) . ?
C73 H73 0.9300 . ?
C74 O22 1.360(7) . ?
Co1 P3 2.142(2) . ?
Co1 P2 2.1617(18) . ?
Co1 P1 2.181(2) . ?
Co2 P6 2.061(2) . ?
Co2 P5 2.062(2) . ?
Co2 P4 2.234(2) . ?
N1 Tb1 2.486(5) . ?
N2 Tb1 2.498(5) . ?
N3 Tb2 2.520(5) . ?
N4 Tb2 2.485(5) . ?
O1 P1 1.588(4) . ?
O2 P1 1.581(5) . ?
O3 P1 1.523(5) . ?
O3 Tb1 2.311(4) . ?
O4 P2 1.595(4) . ?
O5 P2 1.606(4) . ?
O6 P2 1.549(5) . ?
O6 Tb1 2.227(4) . ?
O7 P3 1.605(4) . ?
O8 P3 1.593(4) . ?
O9 P3 1.532(5) . ?
O9 Tb1 2.306(4) . ?
O10 Tb1 2.201(4) . ?
O11 Tb1 2.222(4) . ?
O12 P4 1.602(5) . ?
O13 P4 1.610(5) . ?
O14 P4 1.526(5) . ?
O14 Tb2 2.325(4) . ?
O15 P5 1.578(5) . ?
O16 P5 1.585(5) . ?
O17 P5 1.608(5) . ?
O17 Tb2 2.372(5) . ?
O18 P6 1.633(5) . ?
O19 P6 1.569(5) . ?
O20 P6 1.504(5) . ?
O20 Tb2 2.246(4) . ?
O21 Tb2 2.238(5) . ?
O22 Tb2 2.188(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 C1 C2 108.0(7) . . ?
C5 C1 Co1 71.4(4) . . ?
C2 C1 Co1 71.2(4) . . ?
C5 C1 H1 125.9 . . ?
C2 C1 H1 125.9 . . ?
Co1 C1 H1 125.9 . . ?
C3 C2 C1 108.0(6) . . ?
C3 C2 Co1 72.6(4) . . ?
C1 C2 Co1 68.5(4) . . ?
C3 C2 H2 126.0 . . ?
C1 C2 H2 126.0 . . ?
Co1 C2 H2 126.0 . . ?
C2 C3 C4 108.0(6) . . ?
C2 C3 Co1 68.1(4) . . ?
C4 C3 Co1 70.7(4) . . ?
C2 C3 H3 126.0 . . ?
C4 C3 H3 126.0 . . ?
Co1 C3 H3 126.0 . . ?
C5 C4 C3 108.0(6) . . ?
C5 C4 Co1 68.2(4) . . ?
C3 C4 Co1 70.6(4) . . ?
C5 C4 H4 126.0 . . ?
C3 C4 H4 126.0 . . ?
Co1 C4 H4 126.0 . . ?
C4 C5 C1 108.0(6) . . ?
C4 C5 Co1 72.6(4) . . ?
C1 C5 Co1 68.4(4) . . ?
C4 C5 H5 126.0 . . ?
C1 C5 H5 126.0 . . ?
Co1 C5 H5 126.0 . . ?
O1 C6 C7 99.8(5) . . ?
O1 C6 H6A 111.8 . . ?
C7 C6 H6A 111.8 . . ?
O1 C6 H6B 111.8 . . ?
C7 C6 H6B 111.8 . . ?
H6A C6 H6B 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 117.0(5) . . ?
O2 C8 H8A 108.1 . . ?
C9 C8 H8A 108.1 . . ?
O2 C8 H8B 108.1 . . ?
C9 C8 H8B 108.1 . . ?
H8A C8 H8B 107.3 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C11 114.1(6) . . ?
O4 C10 H10A 108.7 . . ?
C11 C10 H10A 108.7 . . ?
O4 C10 H10B 108.7 . . ?
C11 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 106.7(6) . . ?
O5 C12 H12A 110.4 . . ?
C13 C12 H12A 110.4 . . ?
O5 C12 H12B 110.4 . . ?
C13 C12 H12B 110.4 . . ?
H12A C12 H12B 108.6 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 120.5(6) . . ?
O7 C14 H14A 107.2 . . ?
C15 C14 H14A 107.2 . . ?
O7 C14 H14B 107.2 . . ?
C15 C14 H14B 107.2 . . ?
H14A C14 H14B 106.8 . . ?
C14 C15 H15D 109.5 . . ?
C14 C15 H15E 109.5 . . ?
H15D C15 H15E 109.5 . . ?
C14 C15 H15F 109.5 . . ?
H15D C15 H15F 109.5 . . ?
H15E C15 H15F 109.5 . . ?
O8 C16 C17 117.6(6) . . ?
O8 C16 H16A 107.9 . . ?
C17 C16 H16A 107.9 . . ?
O8 C16 H16B 107.9 . . ?
C17 C16 H16B 107.9 . . ?
H16A C16 H16B 107.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C18 C19 108.0(7) . . ?
C22 C18 Co2 66.4(4) . . ?
C19 C18 Co2 73.1(4) . . ?
C22 C18 H18 126.0 . . ?
C19 C18 H18 126.0 . . ?
Co2 C18 H18 126.0 . . ?
C20 C19 C18 108.0(7) . . ?
C20 C19 Co2 68.3(4) . . ?
C18 C19 Co2 69.2(4) . . ?
C20 C19 H19 126.0 . . ?
C18 C19 H19 126.0 . . ?
Co2 C19 H19 126.0 . . ?
C19 C20 C21 108.0(6) . . ?
C19 C20 Co2 73.7(4) . . ?
C21 C20 Co2 66.5(4) . . ?
C19 C20 H20 126.0 . . ?
C21 C20 H20 126.0 . . ?
Co2 C20 H20 126.0 . . ?
C22 C21 C20 108.0(6) . . ?
C22 C21 Co2 70.3(4) . . ?
C20 C21 Co2 74.0(4) . . ?
C22 C21 H21 125.9 . . ?
C20 C21 H21 125.9 . . ?
Co2 C21 H21 125.9 . . ?
C18 C22 C21 108.0(6) . . ?
C18 C22 Co2 74.5(4) . . ?
C21 C22 Co2 69.3(4) . . ?
C18 C22 H22 125.9 . . ?
C21 C22 H22 125.9 . . ?
Co2 C22 H22 125.9 . . ?
O12 C23 C24 121.4(7) . . ?
O12 C23 H23A 107.0 . . ?
C24 C23 H23A 107.0 . . ?
O12 C23 H23B 107.0 . . ?
C24 C23 H23B 107.0 . . ?
H23A C23 H23B 106.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 O13 116.3(6) . . ?
C26 C25 H25A 108.2 . . ?
O13 C25 H25A 108.2 . . ?
C26 C25 H25B 108.2 . . ?
O13 C25 H25B 108.2 . . ?
H25A C25 H25B 107.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O15 C27 C28 103.0(6) . . ?
O15 C27 H27A 111.2 . . ?
C28 C27 H27A 111.2 . . ?
O15 C27 H27B 111.2 . . ?
C28 C27 H27B 111.2 . . ?
H27A C27 H27B 109.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O16 C29 C30 117.6(7) . . ?
O16 C29 H29A 107.9 . . ?
C30 C29 H29A 107.9 . . ?
O16 C29 H29B 107.9 . . ?
C30 C29 H29B 107.9 . . ?
H29A C29 H29B 107.2 . . ?
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 . . ?
O18 C31 C32 115.2(7) . . ?
O18 C31 H31A 108.5 . . ?
C32 C31 H31A 108.5 . . ?
O18 C31 H31B 108.5 . . ?
C32 C31 H31B 108.5 . . ?
H31A C31 H31B 107.5 . . ?
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 . . ?
O19 C33 C34 116.8(6) . . ?
O19 C33 H33A 108.1 . . ?
C34 C33 H33A 108.1 . . ?
O19 C33 H33B 108.1 . . ?
C34 C33 H33B 108.1 . . ?
H33A C33 H33B 107.3 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N1 C35 C36 119.3(5) . . ?
N1 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C37 C36 C41 120.0(6) . . ?
C37 C36 C35 113.0(6) . . ?
C41 C36 C35 126.7(5) . . ?
C36 C37 C38 120.0(6) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 C39 120.0(6) . . ?
C37 C38 Cl1 121.7(5) . . ?
C39 C38 Cl1 118.3(5) . . ?
C40 C39 C38 120.0(6) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C41 120.0(6) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
O10 C41 C40 119.4(5) . . ?
O10 C41 C36 120.6(5) . . ?
C40 C41 C36 120.0(5) . . ?
N2 C42 C43 123.0(6) . . ?
N2 C42 H42 118.5 . . ?
C43 C42 H42 118.5 . . ?
C44 C43 C48 120.0(6) . . ?
C44 C43 C42 114.2(5) . . ?
C48 C43 C42 125.4(6) . . ?
C45 C44 C43 120.0(6) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 C46 120.0(6) . . ?
C44 C45 Cl2 119.7(5) . . ?
C46 C45 Cl2 120.3(5) . . ?
C45 C46 C47 120.0(6) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C48 C47 C46 120.0(6) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
O11 C48 C47 119.1(5) . . ?
O11 C48 C43 120.8(5) . . ?
C47 C48 C43 120.0(6) . . ?
C50 C49 C54 119.9(5) . . ?
C50 C49 N1 125.2(5) . . ?
C54 C49 N1 114.8(5) . . ?
C49 C50 C51 121.4(5) . . ?
C49 C50 H50 119.3 . . ?
C51 C50 H50 119.3 . . ?
C50 C51 C52 121.1(5) . . ?
C50 C51 C60 122.8(5) . . ?
C52 C51 C60 116.0(5) . . ?
C51 C52 C53 117.1(5) . . ?
C51 C52 H52 121.5 . . ?
C53 C52 H52 121.5 . . ?
C54 C53 C52 118.4(5) . . ?
C54 C53 H53 120.8 . . ?
C52 C53 H53 120.8 . . ?
C49 C54 C53 121.8(5) . . ?
C49 C54 N2 117.5(5) . . ?
C53 C54 N2 120.7(5) . . ?
C56 C55 C60 125.6(6) . . ?
C56 C55 H55 117.2 . . ?
C60 C55 H55 117.2 . . ?
C55 C56 C57 118.9(6) . . ?
C55 C56 H56 120.6 . . ?
C57 C56 H56 120.6 . . ?
C58 C57 N4 115.5(5) . . ?
C58 C57 C56 118.3(6) . . ?
N4 C57 C56 126.2(6) . . ?
C57 C58 N3 117.7(5) . . ?
C57 C58 C59 121.8(5) . . ?
N3 C58 C59 120.4(6) . . ?
C60 C59 C58 117.7(5) . . ?
C60 C59 H59 121.1 . . ?
C58 C59 H59 121.1 . . ?
C55 C60 C59 117.6(5) . . ?
C55 C60 C51 123.2(5) . . ?
C59 C60 C51 119.1(5) . . ?
N3 C61 C62 130.3(6) . . ?
N3 C61 H61 114.8 . . ?
C62 C61 H61 114.8 . . ?
C63 C62 C67 120.6(6) . . ?
C63 C62 C61 117.3(6) . . ?
C67 C62 C61 122.0(6) . . ?
C62 C63 C64 119.0(6) . . ?
C62 C63 H63 120.5 . . ?
C64 C63 H63 120.5 . . ?
C65 C64 C63 120.9(7) . . ?
C65 C64 Cl3 121.1(6) . . ?
C63 C64 Cl3 117.7(5) . . ?
C66 C65 C64 122.7(7) . . ?
C66 C65 H65 118.6 . . ?
C64 C65 H65 118.6 . . ?
C65 C66 C67 119.0(6) . . ?
C65 C66 H66 120.5 . . ?
C67 C66 H66 120.5 . . ?
O21 C67 C62 121.3(6) . . ?
O21 C67 C66 121.8(6) . . ?
C62 C67 C66 116.9(6) . . ?
N4 C68 C69 124.9(5) . . ?
N4 C68 H68 117.5 . . ?
C69 C68 H68 117.5 . . ?
C70 C69 C74 120.0(6) . . ?
C70 C69 C68 115.1(5) . . ?
C74 C69 C68 124.9(6) . . ?
C69 C70 C71 120.0(6) . . ?
C69 C70 H70 120.0 . . ?
C71 C70 H70 120.0 . . ?
C70 C71 C72 120.0(6) . . ?
C70 C71 Cl4 119.5(5) . . ?
C72 C71 Cl4 120.5(5) . . ?
C71 C72 C73 120.0(6) . . ?
C71 C72 H72 120.0 . . ?
C73 C72 H72 120.0 . . ?
C72 C73 C74 120.0(6) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
O22 C74 C73 116.1(5) . . ?
O22 C74 C69 123.9(5) . . ?
C73 C74 C69 120.0(6) . . ?
C1 Co1 C2 40.2(3) . . ?
C1 Co1 C5 40.2(3) . . ?
C2 Co1 C5 66.9(3) . . ?
C1 Co1 C3 66.5(3) . . ?
C2 Co1 C3 39.3(3) . . ?
C5 Co1 C3 65.9(3) . . ?
C1 Co1 P3 114.3(2) . . ?
C2 Co1 P3 154.0(2) . . ?
C5 Co1 P3 89.4(2) . . ?
C3 Co1 P3 140.22(19) . . ?
C1 Co1 C4 66.5(3) . . ?
C2 Co1 C4 65.9(3) . . ?
C5 Co1 C4 39.2(3) . . ?
C3 Co1 C4 38.7(2) . . ?
P3 Co1 C4 102.80(19) . . ?
C1 Co1 P2 151.5(2) . . ?
C2 Co1 P2 112.1(2) . . ?
C5 Co1 P2 136.8(2) . . ?
C3 Co1 P2 86.7(2) . . ?
P3 Co1 P2 92.26(7) . . ?
C4 Co1 P2 98.90(19) . . ?
C1 Co1 P1 97.8(2) . . ?
C2 Co1 P1 97.0(2) . . ?
C5 Co1 P1 131.5(2) . . ?
C3 Co1 P1 128.90(19) . . ?
P3 Co1 P1 90.88(8) . . ?
C4 Co1 P1 162.3(2) . . ?
P2 Co1 P1 91.62(7) . . ?
C21 Co2 C22 40.5(2) . . ?
C21 Co2 P6 114.81(19) . . ?
C22 Co2 P6 89.8(2) . . ?
C21 Co2 P5 100.41(19) . . ?
C22 Co2 P5 135.7(2) . . ?
P6 Co2 P5 93.10(8) . . ?
C21 Co2 C20 39.5(2) . . ?
C22 Co2 C20 66.2(3) . . ?
P6 Co2 C20 153.76(19) . . ?
P5 Co2 C20 97.09(18) . . ?
C21 Co2 C18 66.0(3) . . ?
C22 Co2 C18 39.2(3) . . ?
P6 Co2 C18 104.0(2) . . ?
P5 Co2 C18 161.5(2) . . ?
C20 Co2 C18 64.4(3) . . ?
C21 Co2 C19 65.1(3) . . ?
C22 Co2 C19 64.9(3) . . ?
P6 Co2 C19 140.75(19) . . ?
P5 Co2 C19 126.08(18) . . ?
C20 Co2 C19 37.9(2) . . ?
C18 Co2 C19 37.8(2) . . ?
C21 Co2 P4 149.78(19) . . ?
C22 Co2 P4 134.2(2) . . ?
P6 Co2 P4 92.69(8) . . ?
P5 Co2 P4 89.80(8) . . ?
C20 Co2 P4 111.40(19) . . ?
C18 Co2 P4 96.5(2) . . ?
C19 Co2 P4 85.9(2) . . ?
C35 N1 C49 116.2(5) . . ?
C35 N1 Tb1 135.8(4) . . ?
C49 N1 Tb1 107.8(3) . . ?
C42 N2 C54 118.5(5) . . ?
C42 N2 Tb1 133.7(4) . . ?
C54 N2 Tb1 107.8(4) . . ?
C61 N3 C58 122.1(6) . . ?
C61 N3 Tb2 128.0(4) . . ?
C58 N3 Tb2 109.8(4) . . ?
C57 N4 C68 118.7(5) . . ?
C57 N4 Tb2 112.2(4) . . ?
C68 N4 Tb2 129.1(4) . . ?
C6 O1 P1 119.6(4) . . ?
C8 O2 P1 122.8(4) . . ?
P1 O3 Tb1 133.3(2) . . ?
C10 O4 P2 122.1(4) . . ?
C12 O5 P2 120.5(4) . . ?
P2 O6 Tb1 139.0(3) . . ?
C14 O7 P3 121.0(4) . . ?
C16 O8 P3 129.5(4) . . ?
P3 O9 Tb1 135.0(3) . . ?
C41 O10 Tb1 141.5(3) . . ?
C48 O11 Tb1 144.5(4) . . ?
C23 O12 P4 120.4(4) . . ?
C25 O13 P4 120.9(4) . . ?
P4 O14 Tb2 129.5(3) . . ?
C27 O15 P5 132.0(6) . . ?
C29 O16 P5 119.2(5) . . ?
P5 O17 Tb2 127.2(3) . . ?
C31 O18 P6 118.0(5) . . ?
C33 O19 P6 127.8(4) . . ?
P6 O20 Tb2 141.3(3) . . ?
C67 O21 Tb2 145.0(4) . . ?
C74 O22 Tb2 138.5(4) . . ?
O3 P1 O2 107.5(3) . . ?
O3 P1 O1 104.6(2) . . ?
O2 P1 O1 119.9(3) . . ?
O3 P1 Co1 119.97(18) . . ?
O2 P1 Co1 110.49(18) . . ?
O1 P1 Co1 94.73(17) . . ?
O6 P2 O4 91.8(3) . . ?
O6 P2 O5 111.5(3) . . ?
O4 P2 O5 116.4(2) . . ?
O6 P2 Co1 117.53(18) . . ?
O4 P2 Co1 109.25(18) . . ?
O5 P2 Co1 109.62(18) . . ?
O9 P3 O8 108.6(3) . . ?
O9 P3 O7 106.7(3) . . ?
O8 P3 O7 99.0(2) . . ?
O9 P3 Co1 120.76(18) . . ?
O8 P3 Co1 109.27(19) . . ?
O7 P3 Co1 110.26(18) . . ?
O14 P4 O12 103.1(3) . . ?
O14 P4 O13 105.6(3) . . ?
O12 P4 O13 113.2(3) . . ?
O14 P4 Co2 121.0(2) . . ?
O12 P4 Co2 109.2(2) . . ?
O13 P4 Co2 104.92(19) . . ?
O15 P5 O16 100.3(3) . . ?
O15 P5 O17 100.1(3) . . ?
O16 P5 O17 109.7(3) . . ?
O15 P5 Co2 111.1(2) . . ?
O16 P5 Co2 110.4(2) . . ?
O17 P5 Co2 122.5(2) . . ?
O20 P6 O19 113.4(3) . . ?
O20 P6 O18 99.1(3) . . ?
O19 P6 O18 105.6(2) . . ?
O20 P6 Co2 118.44(19) . . ?
O19 P6 Co2 113.0(2) . . ?
O18 P6 Co2 104.9(2) . . ?
O10 Tb1 O11 94.61(14) . . ?
O10 Tb1 O6 86.46(15) . . ?
O11 Tb1 O6 163.88(15) . . ?
O10 Tb1 O9 162.82(16) . . ?
O11 Tb1 O9 97.44(15) . . ?
O6 Tb1 O9 78.59(16) . . ?
O10 Tb1 O3 86.76(15) . . ?
O11 Tb1 O3 86.66(15) . . ?
O6 Tb1 O3 77.33(15) . . ?
O9 Tb1 O3 81.79(15) . . ?
O10 Tb1 N1 71.89(15) . . ?
O11 Tb1 N1 120.37(16) . . ?
O6 Tb1 N1 75.26(16) . . ?
O9 Tb1 N1 111.69(15) . . ?
O3 Tb1 N1 146.00(15) . . ?
O10 Tb1 N2 115.68(16) . . ?
O11 Tb1 N2 72.26(15) . . ?
O6 Tb1 N2 121.64(16) . . ?
O9 Tb1 N2 79.81(16) . . ?
O3 Tb1 N2 149.76(15) . . ?
N1 Tb1 N2 63.96(16) . . ?
O22 Tb2 O21 91.12(16) . . ?
O22 Tb2 O20 85.87(16) . . ?
O21 Tb2 O20 95.92(16) . . ?
O22 Tb2 O14 167.57(17) . . ?
O21 Tb2 O14 97.59(16) . . ?
O20 Tb2 O14 84.42(15) . . ?
O22 Tb2 O17 88.74(17) . . ?
O21 Tb2 O17 168.53(15) . . ?
O20 Tb2 O17 72.63(16) . . ?
O14 Tb2 O17 80.96(17) . . ?
O22 Tb2 N4 74.29(15) . . ?
O21 Tb2 N4 116.99(15) . . ?
O20 Tb2 N4 141.26(17) . . ?
O14 Tb2 N4 109.10(15) . . ?
O17 Tb2 N4 73.98(15) . . ?
O22 Tb2 N3 115.90(16) . . ?
O21 Tb2 N3 71.42(16) . . ?
O20 Tb2 N3 154.27(16) . . ?
O14 Tb2 N3 75.52(15) . . ?
O17 Tb2 N3 118.78(17) . . ?
N4 Tb2 N3 62.50(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
C5 C1 C2 C3 0.0(9) . . . . ?
Co1 C1 C2 C3 -62.3(5) . . . . ?
C5 C1 C2 Co1 62.3(5) . . . . ?
C1 C2 C3 C4 0.0(9) . . . . ?
Co1 C2 C3 C4 -59.7(5) . . . . ?
C1 C2 C3 Co1 59.7(5) . . . . ?
C2 C3 C4 C5 0.0(8) . . . . ?
Co1 C3 C4 C5 -58.1(5) . . . . ?
C2 C3 C4 Co1 58.1(5) . . . . ?
C3 C4 C5 C1 0.0(8) . . . . ?
Co1 C4 C5 C1 -59.6(5) . . . . ?
C3 C4 C5 Co1 59.6(5) . . . . ?
C2 C1 C5 C4 0.0(9) . . . . ?
Co1 C1 C5 C4 62.2(5) . . . . ?
C2 C1 C5 Co1 -62.2(5) . . . . ?
C22 C18 C19 C20 0.0(8) . . . . ?
Co2 C18 C19 C20 -57.3(5) . . . . ?
C22 C18 C19 Co2 57.3(5) . . . . ?
C18 C19 C20 C21 0.0(7) . . . . ?
Co2 C19 C20 C21 -57.9(4) . . . . ?
C18 C19 C20 Co2 57.9(5) . . . . ?
C19 C20 C21 C22 0.0(7) . . . . ?
Co2 C20 C21 C22 -62.5(5) . . . . ?
C19 C20 C21 Co2 62.5(5) . . . . ?
C19 C18 C22 C21 0.0(8) . . . . ?
Co2 C18 C22 C21 61.5(4) . . . . ?
C19 C18 C22 Co2 -61.5(5) . . . . ?
C20 C21 C22 C18 0.0(8) . . . . ?
Co2 C21 C22 C18 -64.9(5) . . . . ?
C20 C21 C22 Co2 64.9(5) . . . . ?
N1 C35 C36 C37 173.2(6) . . . . ?
N1 C35 C36 C41 -0.7(11) . . . . ?
C41 C36 C37 C38 0.0(11) . . . . ?
C35 C36 C37 C38 -174.4(7) . . . . ?
C36 C37 C38 C39 0.0(11) . . . . ?
C36 C37 C38 Cl1 178.3(6) . . . . ?
C37 C38 C39 C40 0.0(11) . . . . ?
Cl1 C38 C39 C40 -178.3(6) . . . . ?
C38 C39 C40 C41 0.0(11) . . . . ?
C39 C40 C41 O10 -178.8(6) . . . . ?
C39 C40 C41 C36 0.0(10) . . . . ?
C37 C36 C41 O10 178.7(6) . . . . ?
C35 C36 C41 O10 -7.7(11) . . . . ?
C37 C36 C41 C40 0.0(11) . . . . ?
C35 C36 C41 C40 173.6(7) . . . . ?
N2 C42 C43 C44 176.4(6) . . . . ?
N2 C42 C43 C48 3.5(10) . . . . ?
C48 C43 C44 C45 0.0(10) . . . . ?
C42 C43 C44 C45 -173.3(6) . . . . ?
C43 C44 C45 C46 0.0(10) . . . . ?
C43 C44 C45 Cl2 -179.5(5) . . . . ?
C44 C45 C46 C47 0.0(11) . . . . ?
Cl2 C45 C46 C47 179.5(5) . . . . ?
C45 C46 C47 C48 0.0(10) . . . . ?
C46 C47 C48 O11 178.6(6) . . . . ?
C46 C47 C48 C43 0.0(10) . . . . ?
C44 C43 C48 O11 -178.6(5) . . . . ?
C42 C43 C48 O11 -6.1(10) . . . . ?
C44 C43 C48 C47 0.0(9) . . . . ?
C42 C43 C48 C47 172.5(6) . . . . ?
C54 C49 C50 C51 -2.9(10) . . . . ?
N1 C49 C50 C51 174.0(6) . . . . ?
C49 C50 C51 C52 7.1(10) . . . . ?
C49 C50 C51 C60 -175.2(6) . . . . ?
C50 C51 C52 C53 -7.1(9) . . . . ?
C60 C51 C52 C53 175.0(6) . . . . ?
C51 C52 C53 C54 3.3(9) . . . . ?
C50 C49 C54 C53 -0.9(10) . . . . ?
N1 C49 C54 C53 -178.1(5) . . . . ?
C50 C49 C54 N2 177.4(6) . . . . ?
N1 C49 C54 N2 0.2(8) . . . . ?
C52 C53 C54 C49 0.6(9) . . . . ?
C52 C53 C54 N2 -177.7(6) . . . . ?
C60 C55 C56 C57 1.7(10) . . . . ?
C55 C56 C57 C58 0.6(9) . . . . ?
C55 C56 C57 N4 -178.7(6) . . . . ?
N4 C57 C58 N3 1.5(9) . . . . ?
C56 C57 C58 N3 -177.9(5) . . . . ?
N4 C57 C58 C59 178.9(5) . . . . ?
C56 C57 C58 C59 -0.5(9) . . . . ?
C57 C58 C59 C60 -1.7(9) . . . . ?
N3 C58 C59 C60 175.7(5) . . . . ?
C56 C55 C60 C59 -3.9(10) . . . . ?
C56 C55 C60 C51 177.7(6) . . . . ?
C58 C59 C60 C55 3.7(8) . . . . ?
C58 C59 C60 C51 -177.8(5) . . . . ?
C50 C51 C60 C55 32.6(10) . . . . ?
C52 C51 C60 C55 -149.6(6) . . . . ?
C50 C51 C60 C59 -145.9(6) . . . . ?
C52 C51 C60 C59 32.0(8) . . . . ?
N3 C61 C62 C63 176.0(6) . . . . ?
N3 C61 C62 C67 0.8(10) . . . . ?
C67 C62 C63 C64 -6.0(9) . . . . ?
C61 C62 C63 C64 178.8(5) . . . . ?
C62 C63 C64 C65 9.5(9) . . . . ?
C62 C63 C64 Cl3 -177.3(4) . . . . ?
C63 C64 C65 C66 -11.0(11) . . . . ?
Cl3 C64 C65 C66 175.9(6) . . . . ?
C64 C65 C66 C67 8.6(11) . . . . ?
C63 C62 C67 O21 -178.1(5) . . . . ?
C61 C62 C67 O21 -3.0(9) . . . . ?
C63 C62 C67 C66 3.7(8) . . . . ?
C61 C62 C67 C66 178.8(5) . . . . ?
C65 C66 C67 O21 177.0(6) . . . . ?
C65 C66 C67 C62 -4.8(9) . . . . ?
N4 C68 C69 C70 -173.7(6) . . . . ?
N4 C68 C69 C74 4.6(11) . . . . ?
C74 C69 C70 C71 0.0(11) . . . . ?
C68 C69 C70 C71 178.4(7) . . . . ?
C69 C70 C71 C72 0.0(11) . . . . ?
C69 C70 C71 Cl4 177.9(6) . . . . ?
C70 C71 C72 C73 0.0(12) . . . . ?
Cl4 C71 C72 C73 -177.9(6) . . . . ?
C71 C72 C73 C74 0.0(11) . . . . ?
C72 C73 C74 O22 177.3(6) . . . . ?
C72 C73 C74 C69 0.0(10) . . . . ?
C70 C69 C74 O22 -177.1(6) . . . . ?
C68 C69 C74 O22 4.7(11) . . . . ?
C70 C69 C74 C73 0.0(10) . . . . ?
C68 C69 C74 C73 -178.2(6) . . . . ?
C5 C1 Co1 C2 -117.3(7) . . . . ?
C2 C1 Co1 C5 117.3(7) . . . . ?
C5 C1 Co1 C3 -79.8(5) . . . . ?
C2 C1 Co1 C3 37.5(4) . . . . ?
C5 C1 Co1 P3 56.5(5) . . . . ?
C2 C1 Co1 P3 173.8(4) . . . . ?
C5 C1 Co1 C4 -37.4(4) . . . . ?
C2 C1 Co1 C4 79.9(5) . . . . ?
C5 C1 Co1 P2 -100.8(5) . . . . ?
C2 C1 Co1 P2 16.6(7) . . . . ?
C5 C1 Co1 P1 151.0(4) . . . . ?
C2 C1 Co1 P1 -91.7(4) . . . . ?
C3 C2 Co1 C1 118.1(6) . . . . ?
C3 C2 Co1 C5 79.5(4) . . . . ?
C1 C2 Co1 C5 -38.6(4) . . . . ?
C1 C2 Co1 C3 -118.1(6) . . . . ?
C3 C2 Co1 P3 105.1(5) . . . . ?
C1 C2 Co1 P3 -13.0(8) . . . . ?
C3 C2 Co1 C4 36.6(4) . . . . ?
C1 C2 Co1 C4 -81.5(5) . . . . ?
C3 C2 Co1 P2 -53.5(4) . . . . ?
C1 C2 Co1 P2 -171.6(4) . . . . ?
C3 C2 Co1 P1 -148.1(4) . . . . ?
C1 C2 Co1 P1 93.8(4) . . . . ?
C4 C5 Co1 C1 -118.2(6) . . . . ?
C4 C5 Co1 C2 -79.6(4) . . . . ?
C1 C5 Co1 C2 38.6(5) . . . . ?
C4 C5 Co1 C3 -36.6(4) . . . . ?
C1 C5 Co1 C3 81.6(5) . . . . ?
C4 C5 Co1 P3 111.3(4) . . . . ?
C1 C5 Co1 P3 -130.5(4) . . . . ?
C1 C5 Co1 C4 118.2(6) . . . . ?
C4 C5 Co1 P2 18.7(6) . . . . ?
C1 C5 Co1 P2 136.8(4) . . . . ?
C4 C5 Co1 P1 -158.1(3) . . . . ?
C1 C5 Co1 P1 -39.9(6) . . . . ?
C2 C3 Co1 C1 -38.4(4) . . . . ?
C4 C3 Co1 C1 81.2(4) . . . . ?
C4 C3 Co1 C2 119.6(6) . . . . ?
C2 C3 Co1 C5 -82.5(5) . . . . ?
C4 C3 Co1 C5 37.0(4) . . . . ?
C2 C3 Co1 P3 -138.7(4) . . . . ?
C4 C3 Co1 P3 -19.1(6) . . . . ?
C2 C3 Co1 C4 -119.6(6) . . . . ?
C2 C3 Co1 P2 131.8(4) . . . . ?
C4 C3 Co1 P2 -108.7(4) . . . . ?
C2 C3 Co1 P1 42.4(5) . . . . ?
C4 C3 Co1 P1 161.9(3) . . . . ?
C5 C4 Co1 C1 38.4(4) . . . . ?
C3 C4 Co1 C1 -81.3(4) . . . . ?
C5 C4 Co1 C2 82.5(5) . . . . ?
C3 C4 Co1 C2 -37.1(4) . . . . ?
C3 C4 Co1 C5 -119.6(6) . . . . ?
C5 C4 Co1 C3 119.6(6) . . . . ?
C5 C4 Co1 P3 -72.8(4) . . . . ?
C3 C4 Co1 P3 167.6(4) . . . . ?
C5 C4 Co1 P2 -167.2(4) . . . . ?
C3 C4 Co1 P2 73.2(4) . . . . ?
C5 C4 Co1 P1 67.0(8) . . . . ?
C3 C4 Co1 P1 -52.6(8) . . . . ?
C20 C21 Co2 C22 -116.4(5) . . . . ?
C22 C21 Co2 P6 -56.7(4) . . . . ?
C20 C21 Co2 P6 -173.1(3) . . . . ?
C22 C21 Co2 P5 -155.1(4) . . . . ?
C20 C21 Co2 P5 88.5(4) . . . . ?
C22 C21 Co2 C20 116.4(5) . . . . ?
C22 C21 Co2 C18 38.2(4) . . . . ?
C20 C21 Co2 C18 -78.2(4) . . . . ?
C22 C21 Co2 C19 79.8(4) . . . . ?
C20 C21 Co2 C19 -36.6(3) . . . . ?
C22 C21 Co2 P4 96.9(5) . . . . ?
C20 C21 Co2 P4 -19.4(6) . . . . ?
C18 C22 Co2 C21 116.6(6) . . . . ?
C18 C22 Co2 P6 -112.7(4) . . . . ?
C21 C22 Co2 P6 130.6(4) . . . . ?
C18 C22 Co2 P5 153.0(3) . . . . ?
C21 C22 Co2 P5 36.4(5) . . . . ?
C18 C22 Co2 C20 78.1(4) . . . . ?
C21 C22 Co2 C20 -38.5(4) . . . . ?
C21 C22 Co2 C18 -116.6(6) . . . . ?
C18 C22 Co2 C19 36.3(4) . . . . ?
C21 C22 Co2 C19 -80.4(4) . . . . ?
C18 C22 Co2 P4 -19.2(5) . . . . ?
C21 C22 Co2 P4 -135.8(3) . . . . ?
C19 C20 Co2 C21 -118.6(5) . . . . ?
C19 C20 Co2 C22 -79.1(4) . . . . ?
C21 C20 Co2 C22 39.5(4) . . . . ?
C19 C20 Co2 P6 -104.3(5) . . . . ?
C21 C20 Co2 P6 14.3(6) . . . . ?
C19 C20 Co2 P5 143.7(4) . . . . ?
C21 C20 Co2 P5 -97.8(3) . . . . ?
C19 C20 Co2 C18 -35.8(4) . . . . ?
C21 C20 Co2 C18 82.7(4) . . . . ?
C21 C20 Co2 C19 118.6(5) . . . . ?
C19 C20 Co2 P4 51.1(4) . . . . ?
C21 C20 Co2 P4 169.6(3) . . . . ?
C22 C18 Co2 C21 -39.4(4) . . . . ?
C19 C18 Co2 C21 79.7(5) . . . . ?
C19 C18 Co2 C22 119.1(6) . . . . ?
C22 C18 Co2 P6 71.9(4) . . . . ?
C19 C18 Co2 P6 -169.1(4) . . . . ?
C22 C18 Co2 P5 -84.6(7) . . . . ?
C19 C18 Co2 P5 34.4(9) . . . . ?
C22 C18 Co2 C20 -83.1(5) . . . . ?
C19 C18 Co2 C20 36.0(4) . . . . ?
C22 C18 Co2 C19 -119.1(6) . . . . ?
C22 C18 Co2 P4 166.3(4) . . . . ?
C19 C18 Co2 P4 -74.7(4) . . . . ?
C20 C19 Co2 C21 38.0(4) . . . . ?
C18 C19 Co2 C21 -82.4(5) . . . . ?
C20 C19 Co2 C22 82.9(4) . . . . ?
C18 C19 Co2 C22 -37.6(4) . . . . ?
C20 C19 Co2 P6 137.4(3) . . . . ?
C18 C19 Co2 P6 16.9(6) . . . . ?
C20 C19 Co2 P5 -46.7(4) . . . . ?
C18 C19 Co2 P5 -167.2(4) . . . . ?
C18 C19 Co2 C20 -120.5(6) . . . . ?
C20 C19 Co2 C18 120.5(6) . . . . ?
C20 C19 Co2 P4 -133.4(4) . . . . ?
C18 C19 Co2 P4 106.1(4) . . . . ?
C36 C35 N1 C49 -179.5(5) . . . . ?
C36 C35 N1 Tb1 -5.3(10) . . . . ?
C50 C49 N1 C35 37.6(9) . . . . ?
C54 C49 N1 C35 -145.3(6) . . . . ?
C50 C49 N1 Tb1 -138.1(6) . . . . ?
C54 C49 N1 Tb1 38.9(6) . . . . ?
C43 C42 N2 C54 178.9(5) . . . . ?
C43 C42 N2 Tb1 0.5(9) . . . . ?
C49 C54 N2 C42 142.1(6) . . . . ?
C53 C54 N2 C42 -39.5(8) . . . . ?
C49 C54 N2 Tb1 -39.1(6) . . . . ?
C53 C54 N2 Tb1 139.3(5) . . . . ?
C62 C61 N3 C58 175.1(6) . . . . ?
C62 C61 N3 Tb2 -7.7(10) . . . . ?
C57 C58 N3 C61 -148.6(6) . . . . ?
C59 C58 N3 C61 33.9(9) . . . . ?
C57 C58 N3 Tb2 33.8(7) . . . . ?
C59 C58 N3 Tb2 -143.8(4) . . . . ?
C58 C57 N4 C68 144.7(6) . . . . ?
C56 C57 N4 C68 -35.9(9) . . . . ?
C58 C57 N4 Tb2 -37.2(7) . . . . ?
C56 C57 N4 Tb2 142.2(5) . . . . ?
C69 C68 N4 C57 -178.7(6) . . . . ?
C69 C68 N4 Tb2 3.5(9) . . . . ?
C7 C6 O1 P1 168.2(4) . . . . ?
C9 C8 O2 P1 115.6(5) . . . . ?
C11 C10 O4 P2 -87.5(7) . . . . ?
C13 C12 O5 P2 -167.6(4) . . . . ?
C15 C14 O7 P3 179.2(5) . . . . ?
C17 C16 O8 P3 179.5(4) . . . . ?
C40 C41 O10 Tb1 -153.2(5) . . . . ?
C36 C41 O10 Tb1 28.0(11) . . . . ?
C47 C48 O11 Tb1 -172.8(5) . . . . ?
C43 C48 O11 Tb1 5.8(10) . . . . ?
C24 C23 O12 P4 162.3(6) . . . . ?
C26 C25 O13 P4 156.5(5) . . . . ?
C28 C27 O15 P5 129.8(6) . . . . ?
C30 C29 O16 P5 -148.6(6) . . . . ?
C32 C31 O18 P6 -153.0(5) . . . . ?
C34 C33 O19 P6 106.6(6) . . . . ?
C62 C67 O21 Tb2 17.9(9) . . . . ?
C66 C67 O21 Tb2 -164.0(4) . . . . ?
C73 C74 O22 Tb2 155.5(5) . . . . ?
C69 C74 O22 Tb2 -27.3(10) . . . . ?
Tb1 O3 P1 O2 -102.0(3) . . . . ?
Tb1 O3 P1 O1 129.6(3) . . . . ?
Tb1 O3 P1 Co1 25.2(4) . . . . ?
C8 O2 P1 O3 -24.6(5) . . . . ?
C8 O2 P1 O1 94.5(5) . . . . ?
C8 O2 P1 Co1 -157.1(4) . . . . ?
C6 O1 P1 O3 56.0(5) . . . . ?
C6 O1 P1 O2 -64.5(5) . . . . ?
C6 O1 P1 Co1 178.6(4) . . . . ?
C1 Co1 P1 O3 -173.1(3) . . . . ?
C2 Co1 P1 O3 146.4(3) . . . . ?
C5 Co1 P1 O3 -148.4(3) . . . . ?
C3 Co1 P1 O3 120.9(3) . . . . ?
P3 Co1 P1 O3 -58.4(2) . . . . ?
C4 Co1 P1 O3 160.6(6) . . . . ?
P2 Co1 P1 O3 33.9(2) . . . . ?
C1 Co1 P1 O2 -47.2(3) . . . . ?
C2 Co1 P1 O2 -87.8(3) . . . . ?
C5 Co1 P1 O2 -22.5(4) . . . . ?
C3 Co1 P1 O2 -113.3(3) . . . . ?
P3 Co1 P1 O2 67.4(2) . . . . ?
C4 Co1 P1 O2 -73.6(7) . . . . ?
P2 Co1 P1 O2 159.7(2) . . . . ?
C1 Co1 P1 O1 77.1(3) . . . . ?
C2 Co1 P1 O1 36.5(3) . . . . ?
C5 Co1 P1 O1 101.8(3) . . . . ?
C3 Co1 P1 O1 11.1(3) . . . . ?
P3 Co1 P1 O1 -168.26(18) . . . . ?
C4 Co1 P1 O1 50.8(7) . . . . ?
P2 Co1 P1 O1 -75.97(19) . . . . ?
Tb1 O6 P2 O4 -98.8(4) . . . . ?
Tb1 O6 P2 O5 141.8(3) . . . . ?
Tb1 O6 P2 Co1 14.0(4) . . . . ?
C10 O4 P2 O6 -69.8(5) . . . . ?
C10 O4 P2 O5 45.3(6) . . . . ?
C10 O4 P2 Co1 170.1(5) . . . . ?
C12 O5 P2 O6 32.5(5) . . . . ?
C12 O5 P2 O4 -71.0(5) . . . . ?
C12 O5 P2 Co1 164.4(4) . . . . ?
C1 Co1 P2 O6 -160.8(5) . . . . ?
C2 Co1 P2 O6 -149.4(3) . . . . ?
C5 Co1 P2 O6 131.3(4) . . . . ?
C3 Co1 P2 O6 -180.0(3) . . . . ?
P3 Co1 P2 O6 39.8(2) . . . . ?
C4 Co1 P2 O6 143.2(3) . . . . ?
P1 Co1 P2 O6 -51.1(2) . . . . ?
C1 Co1 P2 O4 -58.2(5) . . . . ?
C2 Co1 P2 O4 -46.7(3) . . . . ?
C5 Co1 P2 O4 -126.0(4) . . . . ?
C3 Co1 P2 O4 -77.3(3) . . . . ?
P3 Co1 P2 O4 142.5(2) . . . . ?
C4 Co1 P2 O4 -114.2(3) . . . . ?
P1 Co1 P2 O4 51.5(2) . . . . ?
C1 Co1 P2 O5 70.5(5) . . . . ?
C2 Co1 P2 O5 82.0(3) . . . . ?
C5 Co1 P2 O5 2.7(4) . . . . ?
C3 Co1 P2 O5 51.3(3) . . . . ?
P3 Co1 P2 O5 -88.8(2) . . . . ?
C4 Co1 P2 O5 14.5(3) . . . . ?
P1 Co1 P2 O5 -179.8(2) . . . . ?
Tb1 O9 P3 O8 137.5(3) . . . . ?
Tb1 O9 P3 O7 -116.6(4) . . . . ?
Tb1 O9 P3 Co1 10.1(5) . . . . ?
C16 O8 P3 O9 34.2(6) . . . . ?
C16 O8 P3 O7 -76.9(5) . . . . ?
C16 O8 P3 Co1 167.9(5) . . . . ?
C14 O7 P3 O9 10.1(5) . . . . ?
C14 O7 P3 O8 122.8(5) . . . . ?
C14 O7 P3 Co1 -122.7(4) . . . . ?
C1 Co1 P3 O9 140.6(3) . . . . ?
C2 Co1 P3 O9 149.8(5) . . . . ?
C5 Co1 P3 O9 173.2(3) . . . . ?
C3 Co1 P3 O9 -137.5(4) . . . . ?
C4 Co1 P3 O9 -149.7(3) . . . . ?
P2 Co1 P3 O9 -50.0(2) . . . . ?
P1 Co1 P3 O9 41.7(2) . . . . ?
C1 Co1 P3 O8 13.6(3) . . . . ?
C2 Co1 P3 O8 22.7(5) . . . . ?
C5 Co1 P3 O8 46.2(3) . . . . ?
C3 Co1 P3 O8 95.4(4) . . . . ?
C4 Co1 P3 O8 83.3(3) . . . . ?
P2 Co1 P3 O8 -177.02(19) . . . . ?
P1 Co1 P3 O8 -85.37(19) . . . . ?
C1 Co1 P3 O7 -94.2(3) . . . . ?
C2 Co1 P3 O7 -85.1(5) . . . . ?
C5 Co1 P3 O7 -61.7(3) . . . . ?
C3 Co1 P3 O7 -12.4(4) . . . . ?
C4 Co1 P3 O7 -24.5(3) . . . . ?
P2 Co1 P3 O7 75.1(2) . . . . ?
P1 Co1 P3 O7 166.8(2) . . . . ?
Tb2 O14 P4 O12 151.3(3) . . . . ?
Tb2 O14 P4 O13 -89.7(4) . . . . ?
Tb2 O14 P4 Co2 29.0(4) . . . . ?
C23 O12 P4 O14 6.0(6) . . . . ?
C23 O12 P4 O13 -107.6(6) . . . . ?
C23 O12 P4 Co2 135.9(5) . . . . ?
C25 O13 P4 O14 -6.4(6) . . . . ?
C25 O13 P4 O12 105.7(5) . . . . ?
C25 O13 P4 Co2 -135.3(5) . . . . ?
C21 Co2 P4 O14 144.9(4) . . . . ?
C22 Co2 P4 O14 -151.1(4) . . . . ?
P6 Co2 P4 O14 -58.8(2) . . . . ?
P5 Co2 P4 O14 34.2(2) . . . . ?
C20 Co2 P4 O14 131.8(3) . . . . ?
C18 Co2 P4 O14 -163.2(3) . . . . ?
C19 Co2 P4 O14 160.4(3) . . . . ?
C21 Co2 P4 O12 25.5(4) . . . . ?
C22 Co2 P4 O12 89.5(4) . . . . ?
P6 Co2 P4 O12 -178.2(2) . . . . ?
P5 Co2 P4 O12 -85.1(2) . . . . ?
C20 Co2 P4 O12 12.4(3) . . . . ?
C18 Co2 P4 O12 77.4(3) . . . . ?
C19 Co2 P4 O12 41.1(3) . . . . ?
C21 Co2 P4 O13 -96.1(4) . . . . ?
C22 Co2 P4 O13 -32.1(4) . . . . ?
P6 Co2 P4 O13 60.18(19) . . . . ?
P5 Co2 P4 O13 153.27(19) . . . . ?
C20 Co2 P4 O13 -109.2(3) . . . . ?
C18 Co2 P4 O13 -44.2(3) . . . . ?
C19 Co2 P4 O13 -80.5(3) . . . . ?
C27 O15 P5 O16 -120.0(6) . . . . ?
C27 O15 P5 O17 -7.6(6) . . . . ?
C27 O15 P5 Co2 123.3(6) . . . . ?
C29 O16 P5 O15 93.1(6) . . . . ?
C29 O16 P5 O17 -11.7(7) . . . . ?
C29 O16 P5 Co2 -149.6(5) . . . . ?
Tb2 O17 P5 O15 153.3(3) . . . . ?
Tb2 O17 P5 O16 -101.9(4) . . . . ?
Tb2 O17 P5 Co2 30.0(4) . . . . ?
C21 Co2 P5 O15 28.0(3) . . . . ?
C22 Co2 P5 O15 5.0(4) . . . . ?
P6 Co2 P5 O15 -87.9(2) . . . . ?
C20 Co2 P5 O15 67.9(3) . . . . ?
C18 Co2 P5 O15 69.3(7) . . . . ?
C19 Co2 P5 O15 94.7(3) . . . . ?
P4 Co2 P5 O15 179.4(2) . . . . ?
C21 Co2 P5 O16 -82.4(3) . . . . ?
C22 Co2 P5 O16 -105.4(4) . . . . ?
P6 Co2 P5 O16 161.7(3) . . . . ?
C20 Co2 P5 O16 -42.5(3) . . . . ?
C18 Co2 P5 O16 -41.1(7) . . . . ?
C19 Co2 P5 O16 -15.7(4) . . . . ?
P4 Co2 P5 O16 69.0(3) . . . . ?
C21 Co2 P5 O17 146.0(3) . . . . ?
C22 Co2 P5 O17 123.0(4) . . . . ?
P6 Co2 P5 O17 30.1(2) . . . . ?
C20 Co2 P5 O17 -174.1(3) . . . . ?
C18 Co2 P5 O17 -172.7(6) . . . . ?
C19 Co2 P5 O17 -147.3(3) . . . . ?
P4 Co2 P5 O17 -62.6(2) . . . . ?
Tb2 O20 P6 O19 136.9(4) . . . . ?
Tb2 O20 P6 O18 -111.6(5) . . . . ?
Tb2 O20 P6 Co2 0.9(6) . . . . ?
C33 O19 P6 O20 27.9(6) . . . . ?
C33 O19 P6 O18 -79.6(6) . . . . ?
C33 O19 P6 Co2 166.3(5) . . . . ?
C31 O18 P6 O20 -15.8(5) . . . . ?
C31 O18 P6 O19 101.8(4) . . . . ?
C31 O18 P6 Co2 -138.6(4) . . . . ?
C21 Co2 P6 O20 -149.4(3) . . . . ?
C22 Co2 P6 O20 177.7(3) . . . . ?
P5 Co2 P6 O20 -46.5(2) . . . . ?
C20 Co2 P6 O20 -159.4(5) . . . . ?
C18 Co2 P6 O20 140.8(3) . . . . ?
C19 Co2 P6 O20 130.2(4) . . . . ?
P4 Co2 P6 O20 43.5(2) . . . . ?
C21 Co2 P6 O19 74.4(3) . . . . ?
C22 Co2 P6 O19 41.5(3) . . . . ?
P5 Co2 P6 O19 177.4(2) . . . . ?
C20 Co2 P6 O19 64.4(5) . . . . ?
C18 Co2 P6 O19 4.7(3) . . . . ?
C19 Co2 P6 O19 -5.9(4) . . . . ?
P4 Co2 P6 O19 -92.7(2) . . . . ?
C21 Co2 P6 O18 -40.2(3) . . . . ?
C22 Co2 P6 O18 -73.0(3) . . . . ?
P5 Co2 P6 O18 62.80(19) . . . . ?
C20 Co2 P6 O18 -50.1(5) . . . . ?
C18 Co2 P6 O18 -109.9(3) . . . . ?
C19 Co2 P6 O18 -120.5(4) . . . . ?
P4 Co2 P6 O18 152.75(19) . . . . ?
C41 O10 Tb1 O11 -145.4(7) . . . . ?
C41 O10 Tb1 O6 50.8(7) . . . . ?
C41 O10 Tb1 O9 80.1(9) . . . . ?
C41 O10 Tb1 O3 128.3(7) . . . . ?
C41 O10 Tb1 N1 -24.9(6) . . . . ?
C41 O10 Tb1 N2 -72.8(7) . . . . ?
C48 O11 Tb1 O10 113.4(6) . . . . ?
C48 O11 Tb1 O6 -153.4(6) . . . . ?
C48 O11 Tb1 O9 -78.9(6) . . . . ?
C48 O11 Tb1 O3 -160.2(6) . . . . ?
C48 O11 Tb1 N1 41.7(6) . . . . ?
C48 O11 Tb1 N2 -2.2(6) . . . . ?
P2 O6 Tb1 O10 122.0(4) . . . . ?
P2 O6 Tb1 O11 27.6(8) . . . . ?
P2 O6 Tb1 O9 -49.5(4) . . . . ?
P2 O6 Tb1 O3 34.5(4) . . . . ?
P2 O6 Tb1 N1 -165.8(4) . . . . ?
P2 O6 Tb1 N2 -119.9(4) . . . . ?
P3 O9 Tb1 O10 4.4(8) . . . . ?
P3 O9 Tb1 O11 -129.8(4) . . . . ?
P3 O9 Tb1 O6 34.3(4) . . . . ?
P3 O9 Tb1 O3 -44.3(4) . . . . ?
P3 O9 Tb1 N1 103.3(4) . . . . ?
P3 O9 Tb1 N2 159.8(4) . . . . ?
P1 O3 Tb1 O10 -143.7(3) . . . . ?
P1 O3 Tb1 O11 121.5(3) . . . . ?
P1 O3 Tb1 O6 -56.6(3) . . . . ?
P1 O3 Tb1 O9 23.4(3) . . . . ?
P1 O3 Tb1 N1 -93.6(4) . . . . ?
P1 O3 Tb1 N2 76.4(5) . . . . ?
C35 N1 Tb1 O10 12.0(6) . . . . ?
C49 N1 Tb1 O10 -173.5(4) . . . . ?
C35 N1 Tb1 O11 96.7(6) . . . . ?
C49 N1 Tb1 O11 -88.8(4) . . . . ?
C35 N1 Tb1 O6 -79.0(6) . . . . ?
C49 N1 Tb1 O6 95.5(4) . . . . ?
C35 N1 Tb1 O9 -150.1(6) . . . . ?
C49 N1 Tb1 O9 24.4(4) . . . . ?
C35 N1 Tb1 O3 -41.7(7) . . . . ?
C49 N1 Tb1 O3 132.8(4) . . . . ?
C35 N1 Tb1 N2 143.9(7) . . . . ?
C49 N1 Tb1 N2 -41.6(3) . . . . ?
C42 N2 Tb1 O10 -87.7(5) . . . . ?
C54 N2 Tb1 O10 93.7(4) . . . . ?
C42 N2 Tb1 O11 -1.2(5) . . . . ?
C54 N2 Tb1 O11 -179.7(4) . . . . ?
C42 N2 Tb1 O6 169.8(5) . . . . ?
C54 N2 Tb1 O6 -8.7(4) . . . . ?
C42 N2 Tb1 O9 100.1(5) . . . . ?
C54 N2 Tb1 O9 -78.4(4) . . . . ?
C42 N2 Tb1 O3 46.7(7) . . . . ?
C54 N2 Tb1 O3 -131.8(4) . . . . ?
C42 N2 Tb1 N1 -139.5(6) . . . . ?
C54 N2 Tb1 N1 41.9(3) . . . . ?
C74 O22 Tb2 O21 143.2(6) . . . . ?
C74 O22 Tb2 O20 -120.9(6) . . . . ?
C74 O22 Tb2 O14 -82.2(9) . . . . ?
C74 O22 Tb2 O17 -48.3(6) . . . . ?
C74 O22 Tb2 N4 25.4(6) . . . . ?
C74 O22 Tb2 N3 73.4(6) . . . . ?
C67 O21 Tb2 O22 -135.1(6) . . . . ?
C67 O21 Tb2 O20 138.9(6) . . . . ?
C67 O21 Tb2 O14 53.8(6) . . . . ?
C67 O21 Tb2 O17 135.7(8) . . . . ?
C67 O21 Tb2 N4 -62.2(6) . . . . ?
C67 O21 Tb2 N3 -18.1(6) . . . . ?
P6 O20 Tb2 O22 137.2(5) . . . . ?
P6 O20 Tb2 O21 -132.1(5) . . . . ?
P6 O20 Tb2 O14 -35.0(5) . . . . ?
P6 O20 Tb2 O17 47.2(5) . . . . ?
P6 O20 Tb2 N4 78.8(5) . . . . ?
P6 O20 Tb2 N3 -73.6(7) . . . . ?
P4 O14 Tb2 O22 -24.3(9) . . . . ?
P4 O14 Tb2 O21 109.7(4) . . . . ?
P4 O14 Tb2 O20 14.5(4) . . . . ?
P4 O14 Tb2 O17 -58.8(4) . . . . ?
P4 O14 Tb2 N4 -128.2(3) . . . . ?
P4 O14 Tb2 N3 178.2(4) . . . . ?
P5 O17 Tb2 O22 -145.4(3) . . . . ?
P5 O17 Tb2 O21 -55.9(9) . . . . ?
P5 O17 Tb2 O20 -59.3(3) . . . . ?
P5 O17 Tb2 O14 27.7(3) . . . . ?
P5 O17 Tb2 N4 140.6(3) . . . . ?
P5 O17 Tb2 N3 95.5(3) . . . . ?
C57 N4 Tb2 O22 169.6(4) . . . . ?
C68 N4 Tb2 O22 -12.5(5) . . . . ?
C57 N4 Tb2 O21 86.5(4) . . . . ?
C68 N4 Tb2 O21 -95.6(5) . . . . ?
C57 N4 Tb2 O20 -128.4(4) . . . . ?
C68 N4 Tb2 O20 49.4(6) . . . . ?
C57 N4 Tb2 O14 -22.9(5) . . . . ?
C68 N4 Tb2 O14 154.9(5) . . . . ?
C57 N4 Tb2 O17 -97.1(4) . . . . ?
C68 N4 Tb2 O17 80.7(5) . . . . ?
C57 N4 Tb2 N3 38.5(4) . . . . ?
C68 N4 Tb2 N3 -143.7(6) . . . . ?
C61 N3 Tb2 O22 92.6(5) . . . . ?
C58 N3 Tb2 O22 -90.0(4) . . . . ?
C61 N3 Tb2 O21 10.6(5) . . . . ?
C58 N3 Tb2 O21 -171.9(4) . . . . ?
C61 N3 Tb2 O20 -52.8(7) . . . . ?
C58 N3 Tb2 O20 124.7(5) . . . . ?
C61 N3 Tb2 O14 -92.7(5) . . . . ?
C58 N3 Tb2 O14 84.8(4) . . . . ?
C61 N3 Tb2 O17 -163.6(5) . . . . ?
C58 N3 Tb2 O17 13.9(4) . . . . ?
C61 N3 Tb2 N4 146.3(6) . . . . ?
C58 N3 Tb2 N4 -36.3(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.567
_refine_diff_density_rms         0.129
####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 1403115'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C74 H92 Cl4 Co2 Ho2 N4 O22 P6'
_chemical_formula_sum            'C74 H92 Cl4 Co2 Ho2 N4 O22 P6'
_chemical_formula_weight         2164.86

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.0998(15)
_cell_length_b                   18.3911(16)
_cell_length_c                   18.8856(13)
_cell_angle_alpha                68.1130(10)
_cell_angle_beta                 83.2090(10)
_cell_angle_gamma                74.007(2)
_cell_volume                     5297.0(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    6307
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      21.61

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2172
_exptl_absorpt_coefficient_mu    2.035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6197
_exptl_absorpt_correction_T_max  0.6864
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31783
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.23
_diffrn_reflns_theta_max         26.00
_reflns_number_total             20561
_reflns_number_gt                13725
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.000 1188 93 ' '
2 0.449 0.806 0.948 29 1 ' '
3 0.551 0.194 0.052 29 1 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.09P)²+1.99P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         20561
_refine_ls_number_parameters     1027
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0579
_refine_ls_wR_factor_ref         0.1577
_refine_ls_wR_factor_gt          0.1562
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6256(5) 1.0222(4) 0.0057(5) 0.082(2) Uani 1 1 d . . .
H1 H 0.5810 1.0077 -0.0097 0.099 Uiso 1 1 calc R . .
C2 C 0.6933(5) 1.0406(4) -0.0401(5) 0.086(2) Uani 1 1 d . . .
H2 H 0.7020 1.0462 -0.0939 0.104 Uiso 1 1 calc R . .
C3 C 0.7441(5) 1.0573(4) 0.0052(5) 0.089(2) Uani 1 1 d . . .
H3 H 0.7934 1.0768 -0.0118 0.107 Uiso 1 1 calc R . .
C4 C 0.7032(5) 1.0463(4) 0.0783(5) 0.085(2) Uani 1 1 d . . .
H4 H 0.7224 1.0531 0.1218 0.102 Uiso 1 1 calc R . .
C5 C 0.6335(5) 1.0237(4) 0.0769(5) 0.085(2) Uani 1 1 d . . .
H5 H 0.5957 1.0097 0.1201 0.102 Uiso 1 1 calc R . .
C6 C 1.0004(5) 0.8807(5) 0.0106(5) 0.086(2) Uani 1 1 d . . .
H6A H 1.0261 0.9066 -0.0374 0.103 Uiso 1 1 calc R . .
H6B H 1.0013 0.8271 0.0123 0.103 Uiso 1 1 calc R . .
C7 C 1.0540(5) 0.8695(5) 0.0728(5) 0.090(2) Uani 1 1 d . . .
H7A H 1.1081 0.8402 0.0648 0.135 Uiso 1 1 calc R . .
H7B H 1.0330 0.8397 0.1212 0.135 Uiso 1 1 calc R . .
H7C H 1.0553 0.9215 0.0724 0.135 Uiso 1 1 calc R . .
C8 C 0.8815(5) 0.8822(5) -0.1343(4) 0.084(2) Uani 1 1 d . . .
H8A H 0.8714 0.8290 -0.1189 0.101 Uiso 1 1 calc R . .
H8B H 0.9391 0.8751 -0.1285 0.101 Uiso 1 1 calc R . .
C9 C 0.8595(5) 0.9281(5) -0.2148(4) 0.093(2) Uani 1 1 d . . .
H9A H 0.8099 0.9187 -0.2244 0.139 Uiso 1 1 calc R . .
H9B H 0.9022 0.9107 -0.2472 0.139 Uiso 1 1 calc R . .
H9C H 0.8520 0.9848 -0.2253 0.139 Uiso 1 1 calc R . .
C10 C 0.8881(5) 0.8890(5) 0.2508(5) 0.086(2) Uani 1 1 d . . .
H10A H 0.9270 0.8404 0.2483 0.103 Uiso 1 1 calc R . .
H10B H 0.8550 0.8743 0.2968 0.103 Uiso 1 1 calc R . .
C11 C 0.9312(5) 0.9488(6) 0.2516(5) 0.107(3) Uani 1 1 d . . .
H11A H 0.9361 0.9855 0.2004 0.161 Uiso 1 1 calc R . .
H11B H 0.9845 0.9208 0.2722 0.161 Uiso 1 1 calc R . .
H11C H 0.9010 0.9786 0.2825 0.161 Uiso 1 1 calc R . .
C12 C 0.6987(5) 0.8171(5) 0.2800(5) 0.093(2) Uani 1 1 d . . .
H12A H 0.7465 0.7862 0.3110 0.112 Uiso 1 1 calc R . .
H12B H 0.6882 0.7842 0.2541 0.112 Uiso 1 1 calc R . .
C13 C 0.6288(4) 0.8330(5) 0.3305(5) 0.088(2) Uani 1 1 d . . .
H13A H 0.6328 0.8749 0.3475 0.133 Uiso 1 1 calc R . .
H13B H 0.6287 0.7845 0.3738 0.133 Uiso 1 1 calc R . .
H13C H 0.5793 0.8499 0.3030 0.133 Uiso 1 1 calc R . .
C14 C 0.6996(6) 0.7932(5) -0.0503(5) 0.098(3) Uani 1 1 d . . .
H14A H 0.7188 0.7444 -0.0067 0.117 Uiso 1 1 calc R . .
H14B H 0.7471 0.8067 -0.0804 0.117 Uiso 1 1 calc R . .
C15 C 0.6503(5) 0.7744(5) -0.0968(5) 0.100(3) Uani 1 1 d . . .
H15A H 0.6023 0.7619 -0.0685 0.151 Uiso 1 1 calc R . .
H15B H 0.6816 0.7287 -0.1095 0.151 Uiso 1 1 calc R . .
H15C H 0.6350 0.8203 -0.1428 0.151 Uiso 1 1 calc R . .
C16 C 0.5663(4) 0.7925(4) 0.1474(5) 0.082(2) Uani 1 1 d . . .
H16A H 0.6037 0.7624 0.1894 0.098 Uiso 1 1 calc R . .
H16B H 0.5650 0.7567 0.1209 0.098 Uiso 1 1 calc R . .
C17 C 0.4836(4) 0.8188(5) 0.1782(4) 0.0757(19) Uani 1 1 d . . .
H17A H 0.4694 0.8764 0.1650 0.114 Uiso 1 1 calc R . .
H17B H 0.4830 0.7929 0.2327 0.114 Uiso 1 1 calc R . .
H17C H 0.4450 0.8039 0.1567 0.114 Uiso 1 1 calc R . .
C18 C 0.3712(5) 0.9976(5) 0.5777(5) 0.085(2) Uani 1 1 d . . .
H18 H 0.3771 1.0195 0.5220 0.102 Uiso 1 1 calc R . .
C19 C 0.4350(6) 0.9616(4) 0.6300(5) 0.086(2) Uani 1 1 d . . .
H19 H 0.4933 0.9541 0.6174 0.103 Uiso 1 1 calc R . .
C20 C 0.3997(5) 0.9424(4) 0.7038(5) 0.082(2) Uani 1 1 d . . .
H20 H 0.4299 0.9170 0.7516 0.098 Uiso 1 1 calc R . .
C21 C 0.3152(5) 0.9630(4) 0.6983(5) 0.078(2) Uani 1 1 d . . .
H21 H 0.2756 0.9562 0.7408 0.094 Uiso 1 1 calc R . .
C22 C 0.2974(5) 0.9953(4) 0.6189(5) 0.086(2) Uani 1 1 d . . .
H22 H 0.2430 1.0167 0.5970 0.104 Uiso 1 1 calc R . .
C23 C 0.4049(5) 0.8426(5) 0.4297(5) 0.095(3) Uani 1 1 d . . .
H23A H 0.3652 0.8117 0.4360 0.114 Uiso 1 1 calc R . .
H23B H 0.4583 0.8050 0.4365 0.114 Uiso 1 1 calc R . .
C24 C 0.4005(5) 0.9000(6) 0.3527(5) 0.107(3) Uani 1 1 d . . .
H24A H 0.3456 0.9167 0.3353 0.160 Uiso 1 1 calc R . .
H24B H 0.4359 0.8754 0.3201 0.160 Uiso 1 1 calc R . .
H24C H 0.4170 0.9464 0.3514 0.160 Uiso 1 1 calc R . .
C25 C 0.1819(6) 0.8872(6) 0.5019(6) 0.106(3) Uani 1 1 d . . .
H25A H 0.1643 0.8535 0.5509 0.127 Uiso 1 1 calc R . .
H25B H 0.2005 0.8546 0.4701 0.127 Uiso 1 1 calc R . .
C26 C 0.1143(6) 0.9557(6) 0.4656(5) 0.118(3) Uani 1 1 d . . .
H26A H 0.1130 0.9997 0.4818 0.177 Uiso 1 1 calc R . .
H26B H 0.0641 0.9398 0.4800 0.177 Uiso 1 1 calc R . .
H26C H 0.1214 0.9726 0.4112 0.177 Uiso 1 1 calc R . .
C27 C 0.5066(6) 0.6801(6) 0.7879(5) 0.109(3) Uani 1 1 d . . .
H27A H 0.5367 0.6433 0.7626 0.131 Uiso 1 1 calc R . .
H27B H 0.4522 0.6718 0.7991 0.131 Uiso 1 1 calc R . .
C28 C 0.5469(5) 0.6593(5) 0.8607(5) 0.106(3) Uani 1 1 d . . .
H28A H 0.5739 0.7003 0.8562 0.159 Uiso 1 1 calc R . .
H28B H 0.5860 0.6080 0.8719 0.159 Uiso 1 1 calc R . .
H28C H 0.5067 0.6563 0.9011 0.159 Uiso 1 1 calc R . .
C29 C 0.5892(5) 0.7630(5) 0.5604(5) 0.104(3) Uani 1 1 d . . .
H29A H 0.5529 0.7736 0.5199 0.125 Uiso 1 1 calc R . .
H29B H 0.5947 0.7071 0.5938 0.125 Uiso 1 1 calc R . .
C30 C 0.6713(5) 0.7708(5) 0.5248(5) 0.095(2) Uani 1 1 d . . .
H30A H 0.6649 0.8190 0.4800 0.142 Uiso 1 1 calc R . .
H30B H 0.6971 0.7245 0.5109 0.142 Uiso 1 1 calc R . .
H30C H 0.7044 0.7740 0.5607 0.142 Uiso 1 1 calc R . .
C31 C 0.2761(6) 0.7513(6) 0.8715(5) 0.108(3) Uani 1 1 d . . .
H31A H 0.3209 0.7206 0.9062 0.129 Uiso 1 1 calc R . .
H31B H 0.2620 0.7147 0.8521 0.129 Uiso 1 1 calc R . .
C32 C 0.2057(5) 0.7832(7) 0.9138(6) 0.117(3) Uani 1 1 d . . .
H32A H 0.2242 0.7970 0.9520 0.176 Uiso 1 1 calc R . .
H32B H 0.1758 0.7429 0.9378 0.176 Uiso 1 1 calc R . .
H32C H 0.1710 0.8307 0.8791 0.176 Uiso 1 1 calc R . .
C33 C 0.1722(5) 0.7753(6) 0.7148(5) 0.095(2) Uani 1 1 d . . .
H33A H 0.1689 0.7435 0.7686 0.115 Uiso 1 1 calc R . .
H33B H 0.1908 0.7400 0.6854 0.115 Uiso 1 1 calc R . .
C34 C 0.0959(5) 0.8376(6) 0.6857(5) 0.105(3) Uani 1 1 d . . .
H34A H 0.0684 0.8551 0.7261 0.158 Uiso 1 1 calc R . .
H34B H 0.0614 0.8150 0.6678 0.158 Uiso 1 1 calc R . .
H34C H 0.1084 0.8829 0.6445 0.158 Uiso 1 1 calc R . .
C35 C 0.9609(4) 0.5742(4) 0.3061(3) 0.0589(14) Uani 1 1 d . . .
H35 H 0.9592 0.5458 0.3584 0.071 Uiso 1 1 calc R . .
C36 C 1.0397(4) 0.5754(4) 0.2701(4) 0.0641(16) Uani 1 1 d . . .
C37 C 1.1062(4) 0.5384(4) 0.3191(4) 0.0729(18) Uani 1 1 d . . .
H37 H 1.0976 0.5205 0.3717 0.088 Uiso 1 1 calc R . .
C38 C 1.1863(4) 0.5283(5) 0.2887(4) 0.079(2) Uani 1 1 d . . .
C39 C 1.1977(4) 0.5658(4) 0.2100(4) 0.0725(18) Uani 1 1 d . . .
H39 H 1.2504 0.5628 0.1900 0.087 Uiso 1 1 calc R . .
C40 C 1.1337(4) 0.6066(4) 0.1623(4) 0.0636(16) Uani 1 1 d . . .
H40 H 1.1434 0.6279 0.1100 0.076 Uiso 1 1 calc R . .
C41 C 1.0507(3) 0.6172(4) 0.1916(3) 0.0548(14) Uani 1 1 d . . .
C42 C 0.7534(4) 0.5487(4) 0.1807(4) 0.0614(15) Uani 1 1 d . . .
H42 H 0.7230 0.5156 0.2153 0.074 Uiso 1 1 calc R . .
C43 C 0.7683(4) 0.5426(3) 0.1017(3) 0.0561(14) Uani 1 1 d . . .
C44 C 0.7250(4) 0.4972(4) 0.0853(4) 0.0683(17) Uani 1 1 d . . .
H44 H 0.6932 0.4687 0.1231 0.082 Uiso 1 1 calc R . .
C45 C 0.7291(4) 0.4944(4) 0.0124(4) 0.0672(16) Uani 1 1 d . . .
C46 C 0.7765(4) 0.5370(4) -0.0441(4) 0.0715(17) Uani 1 1 d . . .
H46 H 0.7792 0.5351 -0.0929 0.086 Uiso 1 1 calc R . .
C47 C 0.8198(4) 0.5824(4) -0.0277(4) 0.0709(17) Uani 1 1 d . . .
H47 H 0.8515 0.6110 -0.0655 0.085 Uiso 1 1 calc R . .
C48 C 0.8157(4) 0.5853(4) 0.0452(3) 0.0612(15) Uani 1 1 d . . .
C49 C 0.8232(4) 0.6039(3) 0.3135(3) 0.0530(13) Uani 1 1 d . . .
C50 C 0.8068(3) 0.6097(3) 0.3870(3) 0.0536(13) Uani 1 1 d . . .
H50 H 0.8472 0.6165 0.4112 0.064 Uiso 1 1 calc R . .
C51 C 0.7312(3) 0.6056(3) 0.4240(3) 0.0555(14) Uani 1 1 d . . .
H51 H 0.7227 0.6073 0.4730 0.067 Uiso 1 1 calc R . .
C52 C 0.6706(3) 0.5993(4) 0.3884(3) 0.0569(14) Uani 1 1 d . . .
C53 C 0.6839(3) 0.5931(3) 0.3133(3) 0.0574(14) Uani 1 1 d . . .
H53 H 0.6418 0.5903 0.2881 0.069 Uiso 1 1 calc R . .
C54 C 0.7609(3) 0.5916(3) 0.2800(3) 0.0513(13) Uani 1 1 d . . .
C55 C 0.5875(4) 0.6047(4) 0.4260(4) 0.0599(15) Uani 1 1 d . . .
C56 C 0.5825(4) 0.5737(4) 0.5069(3) 0.0574(14) Uani 1 1 d . . .
H56 H 0.6293 0.5510 0.5360 0.069 Uiso 1 1 calc R . .
C57 C 0.5066(3) 0.5784(3) 0.5409(3) 0.0535(13) Uani 1 1 d . . .
C58 C 0.4368(3) 0.6119(3) 0.5001(3) 0.0556(14) Uani 1 1 d . . .
C59 C 0.4388(3) 0.6435(3) 0.4174(3) 0.0494(13) Uani 1 1 d . . .
H59 H 0.3915 0.6643 0.3891 0.059 Uiso 1 1 calc R . .
C60 C 0.5175(3) 0.6409(3) 0.3821(3) 0.0576(14) Uani 1 1 d . . .
H60 H 0.5222 0.6635 0.3292 0.069 Uiso 1 1 calc R . .
C61 C 0.2989(4) 0.6121(4) 0.5122(4) 0.0622(15) Uani 1 1 d . . .
H61 H 0.3049 0.6064 0.4648 0.075 Uiso 1 1 calc R . .
C62 C 0.2192(4) 0.6134(4) 0.5511(4) 0.0602(15) Uani 1 1 d . . .
C63 C 0.1598(4) 0.6115(3) 0.5082(4) 0.0603(15) Uani 1 1 d . . .
H63 H 0.1718 0.6087 0.4598 0.072 Uiso 1 1 calc R . .
C64 C 0.0844(4) 0.6138(4) 0.5389(4) 0.0687(17) Uani 1 1 d . . .
C65 C 0.0635(4) 0.6154(4) 0.6117(4) 0.0649(16) Uani 1 1 d . . .
H65 H 0.0104 0.6163 0.6302 0.078 Uiso 1 1 calc R . .
C66 C 0.1207(4) 0.6155(4) 0.6560(4) 0.0595(15) Uani 1 1 d . . .
H66 H 0.1074 0.6157 0.7051 0.071 Uiso 1 1 calc R . .
C67 C 0.2033(4) 0.6154(3) 0.6252(3) 0.0561(14) Uani 1 1 d . . .
C68 C 0.5468(4) 0.4905(4) 0.6649(4) 0.0615(15) Uani 1 1 d . . .
H68 H 0.5920 0.4684 0.6402 0.074 Uiso 1 1 calc R . .
C69 C 0.5416(2) 0.4529(2) 0.74808(16) 0.0601(15) Uani 1 1 d G . .
C70 C 0.6061(2) 0.3868(2) 0.7801(2) 0.0630(15) Uani 1 1 d G . .
H70 H 0.6477 0.3697 0.7490 0.076 Uiso 1 1 calc R . .
C71 C 0.6086(2) 0.3463(2) 0.8587(2) 0.0752(19) Uani 1 1 d G . .
C72 C 0.5465(3) 0.3718(2) 0.90522(16) 0.0687(17) Uani 1 1 d G . .
H72 H 0.5481 0.3447 0.9578 0.082 Uiso 1 1 calc R . .
C73 C 0.4819(2) 0.4379(2) 0.8732(2) 0.0651(16) Uani 1 1 d G . .
H73 H 0.4403 0.4549 0.9043 0.078 Uiso 1 1 calc R . .
C74 C 0.4794(2) 0.4784(2) 0.7946(2) 0.0570(14) Uani 1 1 d G . .
Cl1 Cl 1.26632(10) 0.47015(11) 0.34774(10) 0.0723(4) Uani 1 1 d . . .
Cl2 Cl 0.67424(11) 0.44118(11) -0.01057(10) 0.0779(5) Uani 1 1 d . . .
Cl3 Cl 0.00828(10) 0.60891(11) 0.48704(10) 0.0751(4) Uani 1 1 d . . .
Cl4 Cl 0.68937(11) 0.26288(11) 0.89899(10) 0.0789(5) Uani 1 1 d . . .
Co1 Co 0.73728(6) 0.94043(5) 0.05143(5) 0.0666(2) Uani 1 1 d . . .
Co2 Co 0.36655(6) 0.87999(6) 0.64296(6) 0.0780(3) Uani 1 1 d . . .
Ho1 Ho 0.860208(16) 0.691597(17) 0.135451(15) 0.05355(9) Uani 1 1 d . . .
Ho2 Ho 0.372662(19) 0.642560(19) 0.660134(18) 0.06538(11) Uani 1 1 d . . .
N1 N 0.8940(3) 0.6085(3) 0.2725(3) 0.0587(12) Uani 1 1 d . . .
N2 N 0.7778(3) 0.5931(3) 0.2032(3) 0.0557(12) Uani 1 1 d . . .
N3 N 0.3619(3) 0.6186(3) 0.5403(3) 0.0626(13) Uani 1 1 d . . .
N4 N 0.4913(3) 0.5545(3) 0.6216(3) 0.0648(13) Uani 1 1 d . . .
O1 O 0.9191(3) 0.9238(3) 0.0072(3) 0.0760(13) Uani 1 1 d . . .
O2 O 0.8376(3) 0.9216(3) -0.0892(3) 0.0783(13) Uani 1 1 d . . .
O3 O 0.8784(3) 0.7949(3) 0.0275(3) 0.0702(12) Uani 1 1 d . . .
O4 O 0.8374(3) 0.9267(3) 0.1844(3) 0.0728(12) Uani 1 1 d . . .
O5 O 0.7149(3) 0.8841(3) 0.2278(3) 0.0758(13) Uani 1 1 d . . .
O6 O 0.8362(3) 0.7911(3) 0.1882(3) 0.0673(11) Uani 1 1 d . . .
O7 O 0.6628(3) 0.8548(3) -0.0233(3) 0.0763(12) Uani 1 1 d . . .
O8 O 0.5949(2) 0.8588(2) 0.0968(2) 0.0646(11) Uani 1 1 d . . .
O9 O 0.7345(2) 0.7547(2) 0.0959(3) 0.0641(11) Uani 1 1 d . . .
O10 O 0.9909(2) 0.6549(3) 0.1446(2) 0.0633(11) Uani 1 1 d . . .
O11 O 0.8620(2) 0.6243(2) 0.0591(2) 0.0606(10) Uani 1 1 d . . .
O12 O 0.3915(3) 0.8752(3) 0.4869(3) 0.0892(15) Uani 1 1 d . . .
O13 O 0.2467(3) 0.9171(3) 0.5123(3) 0.0913(15) Uani 1 1 d . . .
O14 O 0.3230(3) 0.7663(3) 0.5715(3) 0.0739(12) Uani 1 1 d . . .
O15 O 0.5012(3) 0.7597(3) 0.7378(3) 0.0910(15) Uani 1 1 d . . .
O16 O 0.5504(3) 0.8129(3) 0.6031(3) 0.0920(16) Uani 1 1 d . . .
O17 O 0.4722(3) 0.7091(3) 0.6374(3) 0.0804(13) Uani 1 1 d . . .
O18 O 0.3017(3) 0.8130(3) 0.8098(3) 0.0811(13) Uani 1 1 d . . .
O19 O 0.2179(3) 0.8320(3) 0.6999(3) 0.0849(14) Uani 1 1 d . . .
O20 O 0.3258(3) 0.7143(3) 0.7375(2) 0.0693(12) Uani 1 1 d . . .
O21 O 0.2588(3) 0.6117(3) 0.6700(2) 0.0673(11) Uani 1 1 d . . .
O22 O 0.4157(2) 0.5379(2) 0.7639(2) 0.0614(10) Uani 1 1 d . . .
P1 P 0.84918(11) 0.88559(10) 0.00014(10) 0.0638(4) Uani 1 1 d . . .
P2 P 0.78572(12) 0.87698(11) 0.16399(11) 0.0705(5) Uani 1 1 d . . .
P3 P 0.68400(11) 0.84377(10) 0.06069(11) 0.0672(4) Uani 1 1 d . . .
P4 P 0.32612(13) 0.85170(12) 0.55560(12) 0.0791(5) Uani 1 1 d . . .
P5 P 0.47478(12) 0.78450(12) 0.65199(12) 0.0780(5) Uani 1 1 d . . .
P6 P 0.31076(11) 0.80239(12) 0.72850(11) 0.0714(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C5 1.378(11) . ?
C1 C2 1.401(10) . ?
C1 Co1 2.119(7) . ?
C1 H1 0.9800 . ?
C2 C3 1.449(11) . ?
C2 Co1 2.029(7) . ?
C2 H2 0.9800 . ?
C3 C4 1.440(11) . ?
C3 Co1 2.027(7) . ?
C3 H3 0.9800 . ?
C4 C5 1.374(10) . ?
C4 Co1 2.105(7) . ?
C4 H4 0.9800 . ?
C5 Co1 2.139(7) . ?
C5 H5 0.9800 . ?
C6 O1 1.394(9) . ?
C6 C7 1.494(10) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O2 1.350(8) . ?
C8 C9 1.473(10) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O4 1.443(9) . ?
C10 C11 1.488(11) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O5 1.335(8) . ?
C12 C13 1.473(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O7 1.377(8) . ?
C14 C15 1.471(11) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O8 1.410(8) . ?
C16 C17 1.487(9) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C22 1.404(11) . ?
C18 C19 1.406(11) . ?
C18 Co2 2.071(8) . ?
C18 H18 0.9800 . ?
C19 C20 1.409(10) . ?
C19 Co2 2.076(7) . ?
C19 H19 0.9800 . ?
C20 C21 1.396(10) . ?
C20 Co2 2.112(8) . ?
C20 H20 0.9800 . ?
C21 C22 1.427(10) . ?
C21 Co2 2.104(7) . ?
C21 H21 0.9800 . ?
C22 Co2 2.032(8) . ?
C22 H22 0.9800 . ?
C23 O12 1.390(9) . ?
C23 C24 1.439(11) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 O13 1.426(10) . ?
C25 C26 1.461(12) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 O15 1.400(10) . ?
C27 C28 1.483(12) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 O16 1.421(9) . ?
C29 C30 1.504(10) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 O18 1.416(9) . ?
C31 C32 1.471(11) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 O19 1.399(9) . ?
C33 C34 1.481(12) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 N1 1.260(7) . ?
C35 C36 1.437(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.402(9) . ?
C36 C41 1.411(8) . ?
C37 C38 1.411(9) . ?
C37 H37 0.9300 . ?
C38 C39 1.400(10) . ?
C38 Cl1 1.711(8) . ?
C39 C40 1.360(9) . ?
C39 H39 0.9300 . ?
C40 C41 1.449(8) . ?
C40 H40 0.9300 . ?
C41 O10 1.296(7) . ?
C42 N2 1.228(8) . ?
C42 C43 1.524(8) . ?
C42 H42 0.9300 . ?
C43 C44 1.390(9) . ?
C43 C48 1.390(8) . ?
C44 C45 1.390(9) . ?
C44 H44 0.9300 . ?
C45 C46 1.390(9) . ?
C45 Cl2 1.715(7) . ?
C46 C47 1.390(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.390(9) . ?
C47 H47 0.9300 . ?
C48 O11 1.308(7) . ?
C49 N1 1.364(7) . ?
C49 C54 1.410(8) . ?
C49 C50 1.422(8) . ?
C50 C51 1.403(8) . ?
C50 H50 0.9300 . ?
C51 C52 1.352(8) . ?
C51 H51 0.9300 . ?
C52 C53 1.452(8) . ?
C52 C55 1.507(8) . ?
C53 C54 1.388(7) . ?
C53 H53 0.9300 . ?
C54 N2 1.435(7) . ?
C55 C60 1.396(8) . ?
C55 C56 1.418(8) . ?
C56 C57 1.375(8) . ?
C56 H56 0.9300 . ?
C57 C58 1.361(8) . ?
C57 N4 1.434(7) . ?
C58 N3 1.409(7) . ?
C58 C59 1.449(8) . ?
C59 C60 1.427(7) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C61 N3 1.308(8) . ?
C61 C62 1.468(8) . ?
C61 H61 0.9300 . ?
C62 C63 1.387(8) . ?
C62 C67 1.407(8) . ?
C63 C64 1.347(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.388(9) . ?
C64 Cl3 1.758(7) . ?
C65 C66 1.361(8) . ?
C65 H65 0.9300 . ?
C66 C67 1.463(8) . ?
C66 H66 0.9300 . ?
C67 O21 1.315(7) . ?
C68 N4 1.343(8) . ?
C68 C69 1.464(7) . ?
C68 H68 0.9300 . ?
C69 C70 1.3900 . ?
C69 C74 1.3900 . ?
C70 C71 1.3900 . ?
C70 H70 0.9300 . ?
C71 C72 1.3900 . ?
C71 Cl4 1.747(3) . ?
C72 C73 1.3900 . ?
C72 H72 0.9300 . ?
C73 C74 1.3900 . ?
C73 H73 0.9300 . ?
C74 O22 1.320(5) . ?
Co1 P2 2.145(2) . ?
Co1 P3 2.1550(19) . ?
Co1 P1 2.201(2) . ?
Co2 P6 2.055(2) . ?
Co2 P4 2.140(2) . ?
Co2 P5 2.144(2) . ?
Ho1 O10 2.157(4) . ?
Ho1 O9 2.210(4) . ?
Ho1 O11 2.217(4) . ?
Ho1 O3 2.270(4) . ?
Ho1 O6 2.315(4) . ?
Ho1 N2 2.481(5) . ?
Ho1 N1 2.507(5) . ?
Ho2 O21 2.143(4) . ?
Ho2 O22 2.198(4) . ?
Ho2 O20 2.257(4) . ?
Ho2 O14 2.266(5) . ?
Ho2 O17 2.272(5) . ?
Ho2 N4 2.446(5) . ?
Ho2 N3 2.497(5) . ?
O1 P1 1.584(5) . ?
O2 P1 1.581(5) . ?
O3 P1 1.502(5) . ?
O4 P2 1.598(5) . ?
O5 P2 1.619(5) . ?
O6 P2 1.501(5) . ?
O7 P3 1.596(5) . ?
O8 P3 1.590(4) . ?
O9 P3 1.554(4) . ?
O12 P4 1.621(5) . ?
O13 P4 1.610(6) . ?
O14 P4 1.499(5) . ?
O15 P5 1.596(6) . ?
O16 P5 1.590(5) . ?
O17 P5 1.524(5) . ?
O18 P6 1.602(5) . ?
O19 P6 1.618(6) . ?
O20 P6 1.515(5) . ?

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
C5 C1 C2 109.6(8) . . ?
C5 C1 Co1 71.9(5) . . ?
C2 C1 Co1 66.8(4) . . ?
C5 C1 H1 125.2 . . ?
C2 C1 H1 125.2 . . ?
Co1 C1 H1 125.2 . . ?
C1 C2 C3 106.8(8) . . ?
C1 C2 Co1 73.8(4) . . ?
C3 C2 Co1 69.0(4) . . ?
C1 C2 H2 126.5 . . ?
C3 C2 H2 126.5 . . ?
Co1 C2 H2 126.5 . . ?
C4 C3 C2 105.8(7) . . ?
C4 C3 Co1 72.5(4) . . ?
C2 C3 Co1 69.2(4) . . ?
C4 C3 H3 127.0 . . ?
C2 C3 H3 127.0 . . ?
Co1 C3 H3 127.0 . . ?
C5 C4 C3 108.4(8) . . ?
C5 C4 Co1 72.5(4) . . ?
C3 C4 Co1 66.7(4) . . ?
C5 C4 H4 125.8 . . ?
C3 C4 H4 125.8 . . ?
Co1 C4 H4 125.8 . . ?
C4 C5 C1 109.4(8) . . ?
C4 C5 Co1 69.8(4) . . ?
C1 C5 Co1 70.3(4) . . ?
C4 C5 H5 125.3 . . ?
C1 C5 H5 125.3 . . ?
Co1 C5 H5 125.3 . . ?
O1 C6 C7 121.3(6) . . ?
O1 C6 H6A 107.0 . . ?
C7 C6 H6A 107.0 . . ?
O1 C6 H6B 107.0 . . ?
C7 C6 H6B 107.0 . . ?
H6A C6 H6B 106.7 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 110.4(7) . . ?
O2 C8 H8A 109.6 . . ?
C9 C8 H8A 109.6 . . ?
O2 C8 H8B 109.6 . . ?
C9 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C11 107.3(7) . . ?
O4 C10 H10A 110.3 . . ?
C11 C10 H10A 110.3 . . ?
O4 C10 H10B 110.3 . . ?
C11 C10 H10B 110.3 . . ?
H10A C10 H10B 108.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 113.8(7) . . ?
O5 C12 H12A 108.8 . . ?
C13 C12 H12A 108.8 . . ?
O5 C12 H12B 108.8 . . ?
C13 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 117.4(8) . . ?
O7 C14 H14A 107.9 . . ?
C15 C14 H14A 107.9 . . ?
O7 C14 H14B 107.9 . . ?
C15 C14 H14B 107.9 . . ?
H14A C14 H14B 107.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 111.9(6) . . ?
O8 C16 H16A 109.2 . . ?
C17 C16 H16A 109.2 . . ?
O8 C16 H16B 109.2 . . ?
C17 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C18 C19 108.2(8) . . ?
C22 C18 Co2 68.5(4) . . ?
C19 C18 Co2 70.4(4) . . ?
C22 C18 H18 125.9 . . ?
C19 C18 H18 125.9 . . ?
Co2 C18 H18 125.9 . . ?
C18 C19 C20 107.4(8) . . ?
C18 C19 Co2 70.0(5) . . ?
C20 C19 Co2 71.7(4) . . ?
C18 C19 H19 126.3 . . ?
C20 C19 H19 126.3 . . ?
Co2 C19 H19 126.3 . . ?
C21 C20 C19 109.3(8) . . ?
C21 C20 Co2 70.4(4) . . ?
C19 C20 Co2 69.0(4) . . ?
C21 C20 H20 125.3 . . ?
C19 C20 H20 125.3 . . ?
Co2 C20 H20 125.3 . . ?
C20 C21 C22 106.9(7) . . ?
C20 C21 Co2 71.0(4) . . ?
C22 C21 Co2 67.1(4) . . ?
C20 C21 H21 126.6 . . ?
C22 C21 H21 126.6 . . ?
Co2 C21 H21 126.6 . . ?
C18 C22 C21 108.1(8) . . ?
C18 C22 Co2 71.5(5) . . ?
C21 C22 Co2 72.6(4) . . ?
C18 C22 H22 125.9 . . ?
C21 C22 H22 125.9 . . ?
Co2 C22 H22 125.9 . . ?
O12 C23 C24 115.7(7) . . ?
O12 C23 H23A 108.4 . . ?
C24 C23 H23A 108.3 . . ?
O12 C23 H23B 108.3 . . ?
C24 C23 H23B 108.3 . . ?
H23A C23 H23B 107.4 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O13 C25 C26 109.0(8) . . ?
O13 C25 H25A 109.9 . . ?
C26 C25 H25A 109.9 . . ?
O13 C25 H25B 109.9 . . ?
C26 C25 H25B 109.9 . . ?
H25A C25 H25B 108.3 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O15 C27 C28 114.0(9) . . ?
O15 C27 H27A 108.8 . . ?
C28 C27 H27A 108.8 . . ?
O15 C27 H27B 108.8 . . ?
C28 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O16 C29 C30 118.3(7) . . ?
O16 C29 H29A 107.7 . . ?
C30 C29 H29A 107.7 . . ?
O16 C29 H29B 107.7 . . ?
C30 C29 H29B 107.7 . . ?
H29A C29 H29B 107.1 . . ?
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 . . ?
O18 C31 C32 112.8(8) . . ?
O18 C31 H31A 109.0 . . ?
C32 C31 H31A 109.0 . . ?
O18 C31 H31B 109.0 . . ?
C32 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
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 . . ?
O19 C33 C34 93.9(7) . . ?
O19 C33 H33A 112.9 . . ?
C34 C33 H33A 112.9 . . ?
O19 C33 H33B 112.9 . . ?
C34 C33 H33B 112.9 . . ?
H33A C33 H33B 110.4 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N1 C35 C36 125.1(6) . . ?
N1 C35 H35 117.4 . . ?
C36 C35 H35 117.4 . . ?
C37 C36 C41 120.7(6) . . ?
C37 C36 C35 115.9(6) . . ?
C41 C36 C35 123.2(6) . . ?
C36 C37 C38 120.1(6) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C39 C38 C37 118.5(7) . . ?
C39 C38 Cl1 121.7(5) . . ?
C37 C38 Cl1 119.8(6) . . ?
C40 C39 C38 121.7(6) . . ?
C40 C39 H39 119.2 . . ?
C38 C39 H39 119.2 . . ?
C39 C40 C41 121.1(6) . . ?
C39 C40 H40 119.5 . . ?
C41 C40 H40 119.5 . . ?
O10 C41 C36 123.0(5) . . ?
O10 C41 C40 119.7(5) . . ?
C36 C41 C40 116.7(6) . . ?
N2 C42 C43 126.3(6) . . ?
N2 C42 H42 116.9 . . ?
C43 C42 H42 116.9 . . ?
C44 C43 C48 120.0(6) . . ?
C44 C43 C42 116.1(5) . . ?
C48 C43 C42 123.6(6) . . ?
C45 C44 C43 120.0(6) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 C46 120.0(6) . . ?
C44 C45 Cl2 121.2(5) . . ?
C46 C45 Cl2 118.8(5) . . ?
C47 C46 C45 120.0(6) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C46 C47 C48 120.0(6) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
O11 C48 C47 117.5(5) . . ?
O11 C48 C43 122.4(6) . . ?
C47 C48 C43 120.0(6) . . ?
N1 C49 C54 116.9(5) . . ?
N1 C49 C50 126.0(5) . . ?
C54 C49 C50 117.2(5) . . ?
C51 C50 C49 121.6(6) . . ?
C51 C50 H50 119.2 . . ?
C49 C50 H50 119.2 . . ?
C52 C51 C50 119.9(6) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C52 C53 120.8(5) . . ?
C51 C52 C55 118.4(5) . . ?
C53 C52 C55 120.6(5) . . ?
C54 C53 C52 118.2(6) . . ?
C54 C53 H53 120.9 . . ?
C52 C53 H53 120.9 . . ?
C53 C54 C49 121.9(5) . . ?
C53 C54 N2 122.1(5) . . ?
C49 C54 N2 114.9(5) . . ?
C60 C55 C56 121.2(5) . . ?
C60 C55 C52 120.6(5) . . ?
C56 C55 C52 118.2(6) . . ?
C57 C56 C55 118.0(6) . . ?
C57 C56 H56 121.0 . . ?
C55 C56 H56 121.0 . . ?
C58 C57 C56 122.7(5) . . ?
C58 C57 N4 112.5(5) . . ?
C56 C57 N4 124.7(6) . . ?
C57 C58 N3 118.4(5) . . ?
C57 C58 C59 121.3(5) . . ?
N3 C58 C59 120.2(5) . . ?
C60 C59 C58 116.0(5) . . ?
C60 C59 H59 122.0 . . ?
C58 C59 H59 122.0 . . ?
C55 C60 C59 120.6(5) . . ?
C55 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
N3 C61 C62 123.8(6) . . ?
N3 C61 H61 118.1 . . ?
C62 C61 H61 118.1 . . ?
C63 C62 C67 122.2(6) . . ?
C63 C62 C61 113.7(6) . . ?
C67 C62 C61 124.1(6) . . ?
C64 C63 C62 117.9(6) . . ?
C64 C63 H63 121.1 . . ?
C62 C63 H63 121.1 . . ?
C63 C64 C65 123.7(7) . . ?
C63 C64 Cl3 119.1(5) . . ?
C65 C64 Cl3 117.1(5) . . ?
C66 C65 C64 119.9(6) . . ?
C66 C65 H65 120.0 . . ?
C64 C65 H65 120.0 . . ?
C65 C66 C67 119.1(6) . . ?
C65 C66 H66 120.4 . . ?
C67 C66 H66 120.4 . . ?
O21 C67 C62 124.4(5) . . ?
O21 C67 C66 118.3(5) . . ?
C62 C67 C66 117.1(6) . . ?
N4 C68 C69 125.1(5) . . ?
N4 C68 H68 117.4 . . ?
C69 C68 H68 117.4 . . ?
C70 C69 C74 120.0 . . ?
C70 C69 C68 114.5(3) . . ?
C74 C69 C68 125.5(3) . . ?
C71 C70 C69 120.0 . . ?
C71 C70 H70 120.0 . . ?
C69 C70 H70 120.0 . . ?
C70 C71 C72 120.0 . . ?
C70 C71 Cl4 120.0(2) . . ?
C72 C71 Cl4 120.0(2) . . ?
C71 C72 C73 120.0 . . ?
C71 C72 H72 120.0 . . ?
C73 C72 H72 120.0 . . ?
C74 C73 C72 120.0 . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
O22 C74 C73 119.9(3) . . ?
O22 C74 C69 120.0(3) . . ?
C73 C74 C69 120.0 . . ?
C3 Co1 C2 41.9(3) . . ?
C3 Co1 C4 40.7(3) . . ?
C2 Co1 C4 67.7(4) . . ?
C3 Co1 C1 66.9(3) . . ?
C2 Co1 C1 39.4(3) . . ?
C4 Co1 C1 64.2(3) . . ?
C3 Co1 C5 66.4(3) . . ?
C2 Co1 C5 65.9(3) . . ?
C4 Co1 C5 37.8(3) . . ?
C1 Co1 C5 37.8(3) . . ?
C3 Co1 P2 114.3(3) . . ?
C2 Co1 P2 154.6(3) . . ?
C4 Co1 P2 87.7(3) . . ?
C1 Co1 P2 135.0(2) . . ?
C5 Co1 P2 98.9(2) . . ?
C3 Co1 P3 152.1(3) . . ?
C2 Co1 P3 110.8(2) . . ?
C4 Co1 P3 137.1(2) . . ?
C1 Co1 P3 87.5(2) . . ?
C5 Co1 P3 100.5(2) . . ?
P2 Co1 P3 91.46(8) . . ?
C3 Co1 P1 98.5(2) . . ?
C2 Co1 P1 99.8(2) . . ?
C4 Co1 P1 131.9(2) . . ?
C1 Co1 P1 133.4(2) . . ?
C5 Co1 P1 164.1(2) . . ?
P2 Co1 P1 91.63(8) . . ?
P3 Co1 P1 91.01(7) . . ?
C22 Co2 P6 109.3(2) . . ?
C22 Co2 C18 40.0(3) . . ?
P6 Co2 C18 148.8(2) . . ?
C22 Co2 C19 67.3(3) . . ?
P6 Co2 C19 139.1(2) . . ?
C18 Co2 C19 39.6(3) . . ?
C22 Co2 C21 40.3(3) . . ?
P6 Co2 C21 85.1(2) . . ?
C18 Co2 C21 66.6(3) . . ?
C19 Co2 C21 66.4(3) . . ?
C22 Co2 C20 66.3(3) . . ?
P6 Co2 C20 100.5(2) . . ?
C18 Co2 C20 65.7(3) . . ?
C19 Co2 C20 39.3(3) . . ?
C21 Co2 C20 38.7(3) . . ?
C22 Co2 P4 99.5(3) . . ?
P6 Co2 P4 93.07(9) . . ?
C18 Co2 P4 97.4(3) . . ?
C19 Co2 P4 127.8(2) . . ?
C21 Co2 P4 134.1(2) . . ?
C20 Co2 P4 163.0(2) . . ?
C22 Co2 P5 157.6(3) . . ?
P6 Co2 P5 90.83(8) . . ?
C18 Co2 P5 118.5(2) . . ?
C19 Co2 P5 91.1(2) . . ?
C21 Co2 P5 137.0(2) . . ?
C20 Co2 P5 101.2(2) . . ?
P4 Co2 P5 88.82(9) . . ?
O10 Ho1 O9 163.90(16) . . ?
O10 Ho1 O11 92.54(16) . . ?
O9 Ho1 O11 85.27(15) . . ?
O10 Ho1 O3 86.80(16) . . ?
O9 Ho1 O3 77.14(16) . . ?
O11 Ho1 O3 85.83(16) . . ?
O10 Ho1 O6 97.54(15) . . ?
O9 Ho1 O6 81.56(15) . . ?
O11 Ho1 O6 163.89(15) . . ?
O3 Ho1 O6 82.23(16) . . ?
O10 Ho1 N2 120.16(16) . . ?
O9 Ho1 N2 74.66(15) . . ?
O11 Ho1 N2 74.75(15) . . ?
O3 Ho1 N2 146.78(17) . . ?
O6 Ho1 N2 110.29(16) . . ?
O10 Ho1 N1 72.02(16) . . ?
O9 Ho1 N1 123.10(16) . . ?
O11 Ho1 N1 116.68(16) . . ?
O3 Ho1 N1 149.01(17) . . ?
O6 Ho1 N1 78.57(16) . . ?
N2 Ho1 N1 63.78(16) . . ?
O21 Ho2 O22 90.52(16) . . ?
O21 Ho2 O20 90.82(16) . . ?
O22 Ho2 O20 86.73(15) . . ?
O21 Ho2 O14 91.88(17) . . ?
O22 Ho2 O14 166.91(15) . . ?
O20 Ho2 O14 80.37(16) . . ?
O21 Ho2 O17 164.82(18) . . ?
O22 Ho2 O17 101.98(17) . . ?
O20 Ho2 O17 81.45(16) . . ?
O14 Ho2 O17 74.02(18) . . ?
O21 Ho2 N4 116.80(16) . . ?
O22 Ho2 N4 73.50(16) . . ?
O20 Ho2 N4 145.47(18) . . ?
O14 Ho2 N4 116.52(17) . . ?
O17 Ho2 N4 75.54(17) . . ?
O21 Ho2 N3 74.66(16) . . ?
O22 Ho2 N3 118.88(15) . . ?
O20 Ho2 N3 149.97(17) . . ?
O14 Ho2 N3 74.13(16) . . ?
O17 Ho2 N3 105.94(17) . . ?
N4 Ho2 N3 62.94(18) . . ?
C35 N1 C49 119.4(5) . . ?
C35 N1 Ho1 132.0(4) . . ?
C49 N1 Ho1 108.6(4) . . ?
C42 N2 C54 120.6(5) . . ?
C42 N2 Ho1 129.8(4) . . ?
C54 N2 Ho1 109.6(3) . . ?
C61 N3 C58 119.0(5) . . ?
C61 N3 Ho2 129.5(4) . . ?
C58 N3 Ho2 111.5(4) . . ?
C68 N4 C57 115.5(5) . . ?
C68 N4 Ho2 129.6(4) . . ?
C57 N4 Ho2 114.8(4) . . ?
C6 O1 P1 120.8(4) . . ?
C8 O2 P1 121.0(5) . . ?
P1 O3 Ho1 135.1(3) . . ?
C10 O4 P2 120.3(4) . . ?
C12 O5 P2 119.9(4) . . ?
P2 O6 Ho1 133.0(3) . . ?
C14 O7 P3 118.0(5) . . ?
C16 O8 P3 119.7(4) . . ?
P3 O9 Ho1 136.9(2) . . ?
C41 O10 Ho1 144.6(4) . . ?
C48 O11 Ho1 137.7(3) . . ?
C23 O12 P4 121.5(5) . . ?
C25 O13 P4 117.5(5) . . ?
P4 O14 Ho2 136.9(3) . . ?
C27 O15 P5 118.7(6) . . ?
C29 O16 P5 112.3(5) . . ?
P5 O17 Ho2 131.1(3) . . ?
C31 O18 P6 116.0(5) . . ?
C33 O19 P6 119.8(5) . . ?
P6 O20 Ho2 134.9(3) . . ?
C67 O21 Ho2 138.7(4) . . ?
C74 O22 Ho2 143.6(3) . . ?
O3 P1 O2 110.4(3) . . ?
O3 P1 O1 110.3(3) . . ?
O2 P1 O1 100.7(3) . . ?
O3 P1 Co1 118.67(18) . . ?
O2 P1 Co1 107.2(2) . . ?
O1 P1 Co1 108.00(19) . . ?
O6 P2 O4 105.9(3) . . ?
O6 P2 O5 108.5(3) . . ?
O4 P2 O5 95.8(3) . . ?
O6 P2 Co1 122.0(2) . . ?
O4 P2 Co1 111.0(2) . . ?
O5 P2 Co1 110.52(19) . . ?
O9 P3 O8 112.9(2) . . ?
O9 P3 O7 105.4(2) . . ?
O8 P3 O7 100.0(3) . . ?
O9 P3 Co1 119.09(18) . . ?
O8 P3 Co1 109.69(18) . . ?
O7 P3 Co1 107.72(19) . . ?
O14 P4 O13 112.4(3) . . ?
O14 P4 O12 108.3(3) . . ?
O13 P4 O12 97.6(3) . . ?
O14 P4 Co2 119.1(2) . . ?
O13 P4 Co2 113.6(2) . . ?
O12 P4 Co2 102.9(2) . . ?
O17 P5 O16 105.3(3) . . ?
O17 P5 O15 109.5(3) . . ?
O16 P5 O15 103.2(3) . . ?
O17 P5 Co2 120.4(2) . . ?
O16 P5 Co2 114.6(2) . . ?
O15 P5 Co2 102.4(2) . . ?
O20 P6 O18 111.3(3) . . ?
O20 P6 O19 97.6(3) . . ?
O18 P6 O19 103.2(3) . . ?
O20 P6 Co2 121.55(19) . . ?
O18 P6 Co2 116.2(2) . . ?
O19 P6 Co2 102.5(2) . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.133
####################################################################### 
# 
# 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_gf73_0m
_database_code_depnum_ccdc_archive 'CCDC 1423696'
_audit_update_record             
;
2015-09-11 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C68 H92 Co2 Gd2 N4 O22 P6'
_chemical_formula_sum            'C68 H92 Co2 Gd2 N4 O22 P6'
_chemical_formula_weight         1935.64

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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.6338(8)
_cell_length_b                   15.3666(7)
_cell_length_c                   18.0084(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.282(2)
_cell_angle_gamma                90.00
_cell_volume                     4460.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    7535
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.13

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1952
_exptl_absorpt_coefficient_mu    2.005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6237
_exptl_absorpt_correction_T_max  0.6899
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25696
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.26
_diffrn_reflns_theta_max         27.00
_reflns_number_total             9725
_reflns_number_gt                7419
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS (Version =  30715)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.836 0.197 0.635 151 33 ' '
2 0.836 0.303 0.135 151 33 ' '
3 0.164 0.697 0.865 151 33 ' '
4 0.164 0.803 0.365 150 33 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.045P)²+1.88P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9725
_refine_ls_number_parameters     475
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.0978
_refine_ls_wR_factor_gt          0.0952
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4844(3) 0.2129(3) 0.1608(3) 0.0551(14) Uani 1 1 d . . .
H1 H 0.5004 0.2422 0.2106 0.066 Uiso 1 1 calc R . .
C2 C 0.5197(3) 0.1358(3) 0.1386(3) 0.0496(12) Uani 1 1 d . . .
H2 H 0.5638 0.1008 0.1713 0.060 Uiso 1 1 calc R . .
C3 C 0.4834(3) 0.1212(3) 0.0623(3) 0.0511(13) Uani 1 1 d . . .
H3 H 0.4956 0.0719 0.0324 0.061 Uiso 1 1 calc R . .
C4 C 0.4256(3) 0.1843(4) 0.0353(3) 0.0531(13) Uani 1 1 d . . .
H4 H 0.3906 0.1880 -0.0170 0.064 Uiso 1 1 calc R . .
C5 C 0.4252(3) 0.2424(3) 0.0938(3) 0.0578(15) Uani 1 1 d . . .
H5 H 0.3913 0.2952 0.0897 0.069 Uiso 1 1 calc R . .
C6 C 0.4503(3) -0.1449(3) 0.1426(3) 0.0509(12) Uani 1 1 d . . .
H6A H 0.4192 -0.1386 0.1814 0.061 Uiso 1 1 calc R . .
H6B H 0.5087 -0.1501 0.1684 0.061 Uiso 1 1 calc R . .
C7 C 0.4220(3) -0.2254(3) 0.0954(3) 0.0504(12) Uani 1 1 d . . .
H7A H 0.3629 -0.2235 0.0755 0.076 Uiso 1 1 calc R . .
H7B H 0.4367 -0.2761 0.1270 0.076 Uiso 1 1 calc R . .
H7C H 0.4485 -0.2278 0.0537 0.076 Uiso 1 1 calc R . .
C8 C 0.2910(3) -0.0666(3) -0.0573(3) 0.0453(11) Uani 1 1 d . . .
H8A H 0.2451 -0.0882 -0.0381 0.054 Uiso 1 1 calc R . .
H8B H 0.3291 -0.1142 -0.0578 0.054 Uiso 1 1 calc R . .
C9 C 0.2595(3) -0.0294(3) -0.1372(3) 0.0570(14) Uani 1 1 d . . .
H9A H 0.2103 0.0042 -0.1394 0.086 Uiso 1 1 calc R . .
H9B H 0.2469 -0.0760 -0.1737 0.086 Uiso 1 1 calc R . .
H9C H 0.3013 0.0073 -0.1491 0.086 Uiso 1 1 calc R . .
C10 C 0.5114(3) -0.0309(3) 0.3311(3) 0.0602(14) Uani 1 1 d . . .
H10A H 0.4630 -0.0679 0.3251 0.072 Uiso 1 1 calc R . .
H10B H 0.5551 -0.0645 0.3178 0.072 Uiso 1 1 calc R . .
C11 C 0.5387(4) -0.0014(4) 0.4110(3) 0.0698(16) Uani 1 1 d . . .
H11A H 0.5958 0.0159 0.4217 0.105 Uiso 1 1 calc R . .
H11B H 0.5326 -0.0481 0.4446 0.105 Uiso 1 1 calc R . .
H11C H 0.5054 0.0471 0.4188 0.105 Uiso 1 1 calc R . .
C12 C 0.3323(4) 0.1878(4) 0.3357(3) 0.0658(16) Uani 1 1 d . . .
H12A H 0.3376 0.2495 0.3472 0.079 Uiso 1 1 calc R . .
H12B H 0.2778 0.1779 0.3020 0.079 Uiso 1 1 calc R . .
C13 C 0.3397(4) 0.1385(4) 0.4074(3) 0.0724(17) Uani 1 1 d . . .
H13A H 0.3209 0.0799 0.3955 0.109 Uiso 1 1 calc R . .
H13B H 0.3063 0.1657 0.4374 0.109 Uiso 1 1 calc R . .
H13C H 0.3966 0.1378 0.4360 0.109 Uiso 1 1 calc R . .
C14 C 0.1533(3) 0.1467(3) -0.0249(3) 0.0532(13) Uani 1 1 d . . .
H14A H 0.1120 0.1441 0.0048 0.064 Uiso 1 1 calc R . .
H14B H 0.1650 0.0875 -0.0376 0.064 Uiso 1 1 calc R . .
C15 C 0.1175(3) 0.1944(4) -0.0970(3) 0.0732(18) Uani 1 1 d . . .
H15A H 0.0791 0.2375 -0.0880 0.110 Uiso 1 1 calc R . .
H15B H 0.0890 0.1543 -0.1354 0.110 Uiso 1 1 calc R . .
H15C H 0.1612 0.2225 -0.1143 0.110 Uiso 1 1 calc R . .
C16 C 0.1847(3) 0.2908(3) 0.1505(3) 0.0569(13) Uani 1 1 d . . .
H16A H 0.1588 0.2552 0.1826 0.068 Uiso 1 1 calc R . .
H16B H 0.1483 0.2927 0.0994 0.068 Uiso 1 1 calc R . .
C17 C 0.1995(3) 0.3805(3) 0.1826(3) 0.0630(15) Uani 1 1 d . . .
H17A H 0.2488 0.3810 0.2237 0.095 Uiso 1 1 calc R . .
H17B H 0.1530 0.3984 0.2017 0.095 Uiso 1 1 calc R . .
H17C H 0.2061 0.4199 0.1432 0.095 Uiso 1 1 calc R . .
C18 C 0.0110(3) 0.0327(3) 0.2042(2) 0.0354(10) Uani 1 1 d . . .
H18 H -0.0430 0.0486 0.1799 0.042 Uiso 1 1 calc R . .
C19 C 0.0353(3) 0.0405(3) 0.2871(2) 0.0348(9) Uani 1 1 d . . .
C20 C -0.0260(3) 0.0698(3) 0.3219(3) 0.0437(11) Uani 1 1 d . . .
H20 H -0.0781 0.0846 0.2918 0.052 Uiso 1 1 calc R . .
C21 C -0.0099(3) 0.0771(3) 0.4009(3) 0.0469(12) Uani 1 1 d . . .
H21 H -0.0509 0.0971 0.4237 0.056 Uiso 1 1 calc R . .
C22 C 0.0672(3) 0.0545(3) 0.4456(3) 0.0452(11) Uani 1 1 d . . .
H22 H 0.0779 0.0587 0.4987 0.054 Uiso 1 1 calc R . .
C23 C 0.1284(3) 0.0257(3) 0.4121(2) 0.0396(10) Uani 1 1 d . . .
H23 H 0.1803 0.0112 0.4429 0.048 Uiso 1 1 calc R . .
C24 C 0.1139(3) 0.0178(3) 0.3319(2) 0.0362(10) Uani 1 1 d . . .
C25 C 0.1281(2) -0.1944(3) 0.0608(2) 0.0337(9) Uani 1 1 d . . .
H25 H 0.0942 -0.2112 0.0138 0.040 Uiso 1 1 calc R . .
C26 C 0.1883(2) -0.2574(3) 0.1011(2) 0.0321(9) Uani 1 1 d . . .
C27 C 0.1966(3) -0.3336(3) 0.0611(2) 0.0385(10) Uani 1 1 d . . .
H27 H 0.1666 -0.3395 0.0104 0.046 Uiso 1 1 calc R . .
C28 C 0.2483(3) -0.3999(3) 0.0951(3) 0.0400(10) Uani 1 1 d . . .
H28 H 0.2538 -0.4498 0.0676 0.048 Uiso 1 1 calc R . .
C29 C 0.2920(3) -0.3915(3) 0.1712(3) 0.0435(11) Uani 1 1 d . . .
H29 H 0.3263 -0.4364 0.1949 0.052 Uiso 1 1 calc R . .
C30 C 0.2850(3) -0.3168(3) 0.2119(2) 0.0387(10) Uani 1 1 d . . .
H30 H 0.3147 -0.3121 0.2628 0.046 Uiso 1 1 calc R . .
C31 C 0.2336(2) -0.2481(3) 0.1776(2) 0.0335(9) Uani 1 1 d . . .
C32 C -0.0322(2) 0.0638(3) 0.0400(2) 0.0318(9) Uani 1 1 d . . .
H32 H -0.0535 0.1064 0.0665 0.038 Uiso 1 1 calc R . .
C33 C 0.0255(2) 0.0041(3) 0.0794(2) 0.0324(9) Uani 1 1 d . . .
C34 C 0.0578(2) -0.0595(3) 0.0392(2) 0.0323(9) Uani 1 1 d . . .
Co1 Co 0.39402(3) 0.12105(4) 0.12721(3) 0.03613(15) Uani 1 1 d . . .
Gd1 Gd 0.208688(12) -0.034616(13) 0.192526(11) 0.03094(7) Uani 1 1 d . . .
N1 N 0.0580(2) 0.0053(2) 0.16099(19) 0.0326(8) Uani 1 1 d . . .
N2 N 0.11765(19) -0.1168(2) 0.08473(19) 0.0318(8) Uani 1 1 d . . .
O1 O 0.43732(18) -0.0683(2) 0.09264(19) 0.0484(8) Uani 1 1 d . . .
O2 O 0.3326(2) 0.0036(2) -0.00996(17) 0.0474(8) Uani 1 1 d . . .
O3 O 0.29102(17) -0.05698(19) 0.10552(17) 0.0392(7) Uani 1 1 d . . .
O4 O 0.49086(19) 0.0454(2) 0.27957(19) 0.0569(10) Uani 1 1 d . . .
O5 O 0.3969(2) 0.1614(2) 0.29611(19) 0.0569(9) Uani 1 1 d . . .
O6 O 0.33874(17) 0.0130(2) 0.25861(16) 0.0422(7) Uani 1 1 d . . .
O7 O 0.22677(18) 0.1833(2) 0.02150(18) 0.0504(8) Uani 1 1 d . . .
O8 O 0.26486(18) 0.2543(2) 0.14816(19) 0.0492(8) Uani 1 1 d . . .
O9 O 0.20559(17) 0.10149(18) 0.13601(17) 0.0390(7) Uani 1 1 d . . .
O10 O 0.17431(17) -0.01077(19) 0.30223(16) 0.0374(7) Uani 1 1 d . . .
O11 O 0.22994(17) -0.17746(18) 0.21927(16) 0.0349(6) Uani 1 1 d . . .
P1 P 0.35829(7) -0.00741(8) 0.08184(7) 0.0367(3) Uani 1 1 d . . .
P2 P 0.39951(7) 0.07947(8) 0.24363(7) 0.0396(3) Uani 1 1 d . . .
P3 P 0.26534(7) 0.15999(8) 0.10884(7) 0.0386(3) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.423(7) . ?
C1 C5 1.430(7) . ?
C1 Co1 2.042(4) . ?
C1 H1 0.9800 . ?
C2 C3 1.376(6) . ?
C2 Co1 2.062(4) . ?
C2 H2 0.9800 . ?
C3 C4 1.367(7) . ?
C3 Co1 2.105(5) . ?
C3 H3 0.9800 . ?
C4 C5 1.382(7) . ?
C4 Co1 2.095(5) . ?
C4 H4 0.9800 . ?
C5 Co1 2.065(5) . ?
C5 H5 0.9800 . ?
C6 O1 1.465(6) . ?
C6 C7 1.509(7) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O2 1.442(5) . ?
C8 C9 1.517(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.468(8) . ?
C10 O4 1.482(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.476(7) . ?
C12 O5 1.485(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O7 1.415(5) . ?
C14 C15 1.482(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O8 1.457(5) . ?
C16 C17 1.492(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N1 1.302(5) . ?
C18 C19 1.451(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.398(6) . ?
C19 C24 1.401(6) . ?
C20 C21 1.385(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.380(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.380(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.409(6) . ?
C23 H23 0.9300 . ?
C24 O10 1.323(5) . ?
C25 N2 1.294(5) . ?
C25 C26 1.453(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.399(6) . ?
C26 C31 1.404(5) . ?
C27 C28 1.376(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.389(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.383(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.402(5) . ?
C30 H30 0.9300 . ?
C31 O11 1.330(5) . ?
C32 C34 1.385(5) 3 ?
C32 C33 1.391(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.400(6) . ?
C33 N1 1.435(5) . ?
C34 C32 1.385(5) 3 ?
C34 N2 1.427(5) . ?
Co1 P1 2.1628(13) . ?
Co1 P3 2.1678(13) . ?
Co1 P2 2.1719(13) . ?
Gd1 O10 2.218(3) . ?
Gd1 O11 2.256(3) . ?
Gd1 O6 2.315(3) . ?
Gd1 O9 2.321(3) . ?
Gd1 O3 2.347(3) . ?
Gd1 N2 2.491(3) . ?
Gd1 N1 2.506(3) . ?
O1 P1 1.586(3) . ?
O2 P1 1.611(3) . ?
O3 P1 1.500(3) . ?
O4 P2 1.587(3) . ?
O5 P2 1.582(3) . ?
O6 P2 1.507(3) . ?
O7 P3 1.586(3) . ?
O8 P3 1.614(3) . ?
O9 P3 1.508(3) . ?

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
C2 C1 C5 105.8(4) . . ?
C2 C1 Co1 70.5(3) . . ?
C5 C1 Co1 70.5(3) . . ?
C2 C1 H1 127.0 . . ?
C5 C1 H1 127.0 . . ?
Co1 C1 H1 127.0 . . ?
C3 C2 C1 107.8(5) . . ?
C3 C2 Co1 72.4(3) . . ?
C1 C2 Co1 69.0(3) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Co1 C2 H2 126.1 . . ?
C4 C3 C2 109.7(5) . . ?
C4 C3 Co1 70.6(3) . . ?
C2 C3 Co1 69.1(3) . . ?
C4 C3 H3 125.2 . . ?
C2 C3 H3 125.2 . . ?
Co1 C3 H3 125.2 . . ?
C3 C4 C5 108.8(5) . . ?
C3 C4 Co1 71.4(3) . . ?
C5 C4 Co1 69.4(3) . . ?
C3 C4 H4 125.6 . . ?
C5 C4 H4 125.6 . . ?
Co1 C4 H4 125.6 . . ?
C4 C5 C1 107.8(5) . . ?
C4 C5 Co1 71.8(3) . . ?
C1 C5 Co1 68.8(3) . . ?
C4 C5 H5 126.1 . . ?
C1 C5 H5 126.1 . . ?
Co1 C5 H5 126.1 . . ?
O1 C6 C7 109.5(4) . . ?
O1 C6 H6A 109.8 . . ?
C7 C6 H6A 109.8 . . ?
O1 C6 H6B 109.8 . . ?
C7 C6 H6B 109.8 . . ?
H6A C6 H6B 108.2 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 106.4(4) . . ?
O2 C8 H8A 110.5 . . ?
C9 C8 H8A 110.5 . . ?
O2 C8 H8B 110.5 . . ?
C9 C8 H8B 110.5 . . ?
H8A C8 H8B 108.6 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 O4 109.8(4) . . ?
C11 C10 H10A 109.7 . . ?
O4 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
O4 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 O5 111.5(5) . . ?
C13 C12 H12A 109.3 . . ?
O5 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
O5 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 115.0(4) . . ?
O7 C14 H14A 108.5 . . ?
C15 C14 H14A 108.5 . . ?
O7 C14 H14B 108.5 . . ?
C15 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 107.6(4) . . ?
O8 C16 H16A 110.2 . . ?
C17 C16 H16A 110.2 . . ?
O8 C16 H16B 110.2 . . ?
C17 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 C19 125.9(4) . . ?
N1 C18 H18 117.1 . . ?
C19 C18 H18 117.1 . . ?
C20 C19 C24 120.2(4) . . ?
C20 C19 C18 116.1(4) . . ?
C24 C19 C18 123.7(4) . . ?
C21 C20 C19 120.6(4) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C20 119.7(4) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.4(4) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C24 121.2(4) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
O10 C24 C19 123.0(4) . . ?
O10 C24 C23 119.1(4) . . ?
C19 C24 C23 117.9(4) . . ?
N2 C25 C26 125.5(4) . . ?
N2 C25 H25 117.3 . . ?
C26 C25 H25 117.3 . . ?
C27 C26 C31 119.5(4) . . ?
C27 C26 C25 116.3(4) . . ?
C31 C26 C25 124.0(4) . . ?
C28 C27 C26 121.3(4) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C27 C28 C29 119.2(4) . . ?
C27 C28 H28 120.4 . . ?
C29 C28 H28 120.4 . . ?
C30 C29 C28 120.6(4) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C29 C30 C31 120.8(4) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
O11 C31 C30 118.2(4) . . ?
O11 C31 C26 123.2(3) . . ?
C30 C31 C26 118.5(4) . . ?
C34 C32 C33 119.5(4) 3 . ?
C34 C32 H32 120.3 3 . ?
C33 C32 H32 120.3 . . ?
C32 C33 C34 120.1(4) . . ?
C32 C33 N1 123.5(4) . . ?
C34 C33 N1 116.3(3) . . ?
C32 C34 C33 120.4(4) 3 . ?
C32 C34 N2 123.7(4) 3 . ?
C33 C34 N2 115.8(4) . . ?
C1 Co1 C2 40.56(19) . . ?
C1 Co1 C5 40.8(2) . . ?
C2 Co1 C5 66.94(19) . . ?
C1 Co1 C4 66.6(2) . . ?
C2 Co1 C4 65.26(19) . . ?
C5 Co1 C4 38.8(2) . . ?
C1 Co1 C3 66.09(18) . . ?
C2 Co1 C3 38.54(18) . . ?
C5 Co1 C3 64.8(2) . . ?
C4 Co1 C3 37.99(19) . . ?
C1 Co1 P1 148.93(16) . . ?
C2 Co1 P1 108.39(15) . . ?
C5 Co1 P1 141.23(18) . . ?
C4 Co1 P1 102.96(16) . . ?
C3 Co1 P1 87.55(14) . . ?
C1 Co1 P3 118.77(17) . . ?
C2 Co1 P3 157.41(15) . . ?
C5 Co1 P3 90.89(14) . . ?
C4 Co1 P3 100.49(15) . . ?
C3 Co1 P3 136.11(16) . . ?
P1 Co1 P3 91.45(5) . . ?
C1 Co1 P2 93.72(15) . . ?
C2 Co1 P2 97.83(14) . . ?
C5 Co1 P2 126.39(18) . . ?
C4 Co1 P2 160.04(15) . . ?
C3 Co1 P2 131.97(16) . . ?
P1 Co1 P2 92.20(5) . . ?
P3 Co1 P2 91.92(5) . . ?
O10 Gd1 O11 91.83(10) . . ?
O10 Gd1 O6 84.46(11) . . ?
O11 Gd1 O6 96.92(10) . . ?
O10 Gd1 O9 105.01(10) . . ?
O11 Gd1 O9 162.86(10) . . ?
O6 Gd1 O9 81.80(10) . . ?
O10 Gd1 O3 160.02(10) . . ?
O11 Gd1 O3 85.04(10) . . ?
O6 Gd1 O3 76.37(10) . . ?
O9 Gd1 O3 78.03(10) . . ?
O10 Gd1 N2 122.48(11) . . ?
O11 Gd1 N2 72.91(10) . . ?
O6 Gd1 N2 150.69(11) . . ?
O9 Gd1 N2 99.89(10) . . ?
O3 Gd1 N2 75.41(10) . . ?
O10 Gd1 N1 72.44(10) . . ?
O11 Gd1 N1 112.46(11) . . ?
O6 Gd1 N1 142.61(12) . . ?
O9 Gd1 N1 76.53(10) . . ?
O3 Gd1 N1 126.89(11) . . ?
N2 Gd1 N1 64.27(11) . . ?
C18 N1 C33 119.1(3) . . ?
C18 N1 Gd1 131.2(3) . . ?
C33 N1 Gd1 109.4(2) . . ?
C25 N2 C34 120.6(4) . . ?
C25 N2 Gd1 128.4(3) . . ?
C34 N2 Gd1 109.8(3) . . ?
C6 O1 P1 122.8(3) . . ?
C8 O2 P1 119.7(3) . . ?
P1 O3 Gd1 135.61(17) . . ?
C10 O4 P2 124.5(3) . . ?
C12 O5 P2 129.4(3) . . ?
P2 O6 Gd1 134.82(17) . . ?
C14 O7 P3 125.1(3) . . ?
C16 O8 P3 117.5(3) . . ?
P3 O9 Gd1 137.24(16) . . ?
C24 O10 Gd1 143.3(3) . . ?
C31 O11 Gd1 134.5(2) . . ?
O3 P1 O1 108.65(18) . . ?
O3 P1 O2 108.51(17) . . ?
O1 P1 O2 100.92(18) . . ?
O3 P1 Co1 120.72(13) . . ?
O1 P1 Co1 110.47(13) . . ?
O2 P1 Co1 105.70(13) . . ?
O6 P2 O5 108.28(18) . . ?
O6 P2 O4 108.68(18) . . ?
O5 P2 O4 100.6(2) . . ?
O6 P2 Co1 120.11(13) . . ?
O5 P2 Co1 109.99(14) . . ?
O4 P2 Co1 107.40(14) . . ?
O9 P3 O7 108.58(17) . . ?
O9 P3 O8 108.52(17) . . ?
O7 P3 O8 100.83(18) . . ?
O9 P3 Co1 119.39(12) . . ?
O7 P3 Co1 110.87(13) . . ?
O8 P3 Co1 107.00(12) . . ?

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
C5 C1 C2 C3 0.3(5) . . . . ?
Co1 C1 C2 C3 62.3(3) . . . . ?
C5 C1 C2 Co1 -62.0(3) . . . . ?
C1 C2 C3 C4 -1.1(5) . . . . ?
Co1 C2 C3 C4 59.1(3) . . . . ?
C1 C2 C3 Co1 -60.2(3) . . . . ?
C2 C3 C4 C5 1.4(5) . . . . ?
Co1 C3 C4 C5 59.6(3) . . . . ?
C2 C3 C4 Co1 -58.1(3) . . . . ?
C3 C4 C5 C1 -1.2(5) . . . . ?
Co1 C4 C5 C1 59.6(3) . . . . ?
C3 C4 C5 Co1 -60.8(3) . . . . ?
C2 C1 C5 C4 0.5(5) . . . . ?
Co1 C1 C5 C4 -61.5(3) . . . . ?
C2 C1 C5 Co1 62.0(3) . . . . ?
N1 C18 C19 C20 -178.8(4) . . . . ?
N1 C18 C19 C24 -1.0(7) . . . . ?
C24 C19 C20 C21 0.2(7) . . . . ?
C18 C19 C20 C21 178.1(4) . . . . ?
C19 C20 C21 C22 -0.5(7) . . . . ?
C20 C21 C22 C23 0.7(7) . . . . ?
C21 C22 C23 C24 -0.6(7) . . . . ?
C20 C19 C24 O10 179.6(4) . . . . ?
C18 C19 C24 O10 1.9(7) . . . . ?
C20 C19 C24 C23 0.0(6) . . . . ?
C18 C19 C24 C23 -177.8(4) . . . . ?
C22 C23 C24 O10 -179.4(4) . . . . ?
C22 C23 C24 C19 0.2(7) . . . . ?
N2 C25 C26 C27 -172.3(4) . . . . ?
N2 C25 C26 C31 11.5(6) . . . . ?
C31 C26 C27 C28 0.1(6) . . . . ?
C25 C26 C27 C28 -176.2(4) . . . . ?
C26 C27 C28 C29 1.0(7) . . . . ?
C27 C28 C29 C30 -1.1(7) . . . . ?
C28 C29 C30 C31 0.1(7) . . . . ?
C29 C30 C31 O11 -179.3(4) . . . . ?
C29 C30 C31 C26 1.1(6) . . . . ?
C27 C26 C31 O11 179.2(4) . . . . ?
C25 C26 C31 O11 -4.8(6) . . . . ?
C27 C26 C31 C30 -1.2(6) . . . . ?
C25 C26 C31 C30 174.9(4) . . . . ?
C34 C32 C33 C34 0.4(7) 3 . . . ?
C34 C32 C33 N1 177.6(4) 3 . . . ?
C32 C33 C34 C32 -0.4(7) . . . 3 ?
N1 C33 C34 C32 -177.8(3) . . . 3 ?
C32 C33 C34 N2 179.0(4) . . . . ?
N1 C33 C34 N2 1.5(5) . . . . ?
C5 C1 Co1 C2 115.7(4) . . . . ?
C2 C1 Co1 C5 -115.7(4) . . . . ?
C2 C1 Co1 C4 -78.7(3) . . . . ?
C5 C1 Co1 C4 37.0(3) . . . . ?
C2 C1 Co1 C3 -37.1(3) . . . . ?
C5 C1 Co1 C3 78.6(3) . . . . ?
C2 C1 Co1 P1 -2.8(5) . . . . ?
C5 C1 Co1 P1 112.9(4) . . . . ?
C2 C1 Co1 P3 -168.1(2) . . . . ?
C5 C1 Co1 P3 -52.4(3) . . . . ?
C2 C1 Co1 P2 97.7(3) . . . . ?
C5 C1 Co1 P2 -146.6(3) . . . . ?
C3 C2 Co1 C1 -117.8(4) . . . . ?
C3 C2 Co1 C5 -78.0(3) . . . . ?
C1 C2 Co1 C5 39.8(3) . . . . ?
C3 C2 Co1 C4 -35.5(3) . . . . ?
C1 C2 Co1 C4 82.3(3) . . . . ?
C1 C2 Co1 C3 117.8(4) . . . . ?
C3 C2 Co1 P1 60.7(3) . . . . ?
C1 C2 Co1 P1 178.5(3) . . . . ?
C3 C2 Co1 P3 -89.6(5) . . . . ?
C1 C2 Co1 P3 28.2(6) . . . . ?
C3 C2 Co1 P2 155.6(3) . . . . ?
C1 C2 Co1 P2 -86.6(3) . . . . ?
C4 C5 Co1 C1 118.2(4) . . . . ?
C4 C5 Co1 C2 78.7(3) . . . . ?
C1 C5 Co1 C2 -39.6(3) . . . . ?
C1 C5 Co1 C4 -118.2(4) . . . . ?
C4 C5 Co1 C3 36.3(3) . . . . ?
C1 C5 Co1 C3 -81.9(3) . . . . ?
C4 C5 Co1 P1 -12.3(4) . . . . ?
C1 C5 Co1 P1 -130.6(3) . . . . ?
C4 C5 Co1 P3 -105.7(3) . . . . ?
C1 C5 Co1 P3 136.0(3) . . . . ?
C4 C5 Co1 P2 161.2(3) . . . . ?
C1 C5 Co1 P2 43.0(3) . . . . ?
C3 C4 Co1 C1 80.6(3) . . . . ?
C5 C4 Co1 C1 -38.8(3) . . . . ?
C3 C4 Co1 C2 36.0(3) . . . . ?
C5 C4 Co1 C2 -83.4(3) . . . . ?
C3 C4 Co1 C5 119.4(5) . . . . ?
C5 C4 Co1 C3 -119.4(5) . . . . ?
C3 C4 Co1 P1 -68.5(3) . . . . ?
C5 C4 Co1 P1 172.1(3) . . . . ?
C3 C4 Co1 P3 -162.5(3) . . . . ?
C5 C4 Co1 P3 78.2(3) . . . . ?
C3 C4 Co1 P2 70.0(6) . . . . ?
C5 C4 Co1 P2 -49.4(6) . . . . ?
C4 C3 Co1 C1 -82.1(4) . . . . ?
C2 C3 Co1 C1 39.0(3) . . . . ?
C4 C3 Co1 C2 -121.1(5) . . . . ?
C4 C3 Co1 C5 -37.1(3) . . . . ?
C2 C3 Co1 C5 84.0(3) . . . . ?
C2 C3 Co1 C4 121.1(5) . . . . ?
C4 C3 Co1 P1 114.8(3) . . . . ?
C2 C3 Co1 P1 -124.1(3) . . . . ?
C4 C3 Co1 P3 25.3(4) . . . . ?
C2 C3 Co1 P3 146.4(3) . . . . ?
C4 C3 Co1 P2 -154.4(3) . . . . ?
C2 C3 Co1 P2 -33.3(4) . . . . ?
C19 C18 N1 C33 -177.9(4) . . . . ?
C19 C18 N1 Gd1 -5.4(6) . . . . ?
C32 C33 N1 C18 32.0(6) . . . . ?
C34 C33 N1 C18 -150.7(4) . . . . ?
C32 C33 N1 Gd1 -142.1(3) . . . . ?
C34 C33 N1 Gd1 35.3(4) . . . . ?
O10 Gd1 N1 C18 7.1(4) . . . . ?
O11 Gd1 N1 C18 91.7(4) . . . . ?
O6 Gd1 N1 C18 -47.4(4) . . . . ?
O9 Gd1 N1 C18 -103.7(4) . . . . ?
O3 Gd1 N1 C18 -167.2(3) . . . . ?
N2 Gd1 N1 C18 148.2(4) . . . . ?
O10 Gd1 N1 C33 -179.7(3) . . . . ?
O11 Gd1 N1 C33 -95.2(3) . . . . ?
O6 Gd1 N1 C33 125.8(3) . . . . ?
O9 Gd1 N1 C33 69.5(3) . . . . ?
O3 Gd1 N1 C33 6.0(3) . . . . ?
N2 Gd1 N1 C33 -38.7(2) . . . . ?
C26 C25 N2 C34 178.4(4) . . . . ?
C26 C25 N2 Gd1 12.3(6) . . . . ?
C32 C34 N2 C25 -27.0(6) 3 . . . ?
C33 C34 N2 C25 153.6(4) . . . . ?
C32 C34 N2 Gd1 141.4(3) 3 . . . ?
C33 C34 N2 Gd1 -38.0(4) . . . . ?
O10 Gd1 N2 C25 -107.7(3) . . . . ?
O11 Gd1 N2 C25 -26.7(3) . . . . ?
O6 Gd1 N2 C25 46.5(4) . . . . ?
O9 Gd1 N2 C25 137.3(3) . . . . ?
O3 Gd1 N2 C25 62.6(3) . . . . ?
N1 Gd1 N2 C25 -152.9(4) . . . . ?
O10 Gd1 N2 C34 85.0(3) . . . . ?
O11 Gd1 N2 C34 166.1(3) . . . . ?
O6 Gd1 N2 C34 -120.8(3) . . . . ?
O9 Gd1 N2 C34 -30.0(2) . . . . ?
O3 Gd1 N2 C34 -104.7(2) . . . . ?
N1 Gd1 N2 C34 39.8(2) . . . . ?
C7 C6 O1 P1 97.2(4) . . . . ?
C9 C8 O2 P1 168.1(3) . . . . ?
O10 Gd1 O3 P1 -57.6(5) . . . . ?
O11 Gd1 O3 P1 -139.2(3) . . . . ?
O6 Gd1 O3 P1 -40.9(3) . . . . ?
O9 Gd1 O3 P1 43.5(3) . . . . ?
N2 Gd1 O3 P1 147.2(3) . . . . ?
N1 Gd1 O3 P1 106.3(3) . . . . ?
C11 C10 O4 P2 -100.4(5) . . . . ?
C13 C12 O5 P2 79.9(6) . . . . ?
O10 Gd1 O6 P2 -129.3(3) . . . . ?
O11 Gd1 O6 P2 139.5(3) . . . . ?
O9 Gd1 O6 P2 -23.2(3) . . . . ?
O3 Gd1 O6 P2 56.4(3) . . . . ?
N2 Gd1 O6 P2 72.4(4) . . . . ?
N1 Gd1 O6 P2 -78.1(3) . . . . ?
C15 C14 O7 P3 164.4(4) . . . . ?
C17 C16 O8 P3 -174.9(3) . . . . ?
O10 Gd1 O9 P3 120.8(3) . . . . ?
O11 Gd1 O9 P3 -48.1(5) . . . . ?
O6 Gd1 O9 P3 38.8(3) . . . . ?
O3 Gd1 O9 P3 -38.9(3) . . . . ?
N2 Gd1 O9 P3 -111.6(3) . . . . ?
N1 Gd1 O9 P3 -171.9(3) . . . . ?
C19 C24 O10 Gd1 5.4(7) . . . . ?
C23 C24 O10 Gd1 -174.9(3) . . . . ?
O11 Gd1 O10 C24 -120.8(5) . . . . ?
O6 Gd1 O10 C24 142.4(5) . . . . ?
O9 Gd1 O10 C24 62.4(5) . . . . ?
O3 Gd1 O10 C24 158.7(4) . . . . ?
N2 Gd1 O10 C24 -50.0(5) . . . . ?
N1 Gd1 O10 C24 -7.8(4) . . . . ?
C30 C31 O11 Gd1 149.4(3) . . . . ?
C26 C31 O11 Gd1 -30.9(6) . . . . ?
O10 Gd1 O11 C31 160.6(3) . . . . ?
O6 Gd1 O11 C31 -114.7(3) . . . . ?
O9 Gd1 O11 C31 -30.1(6) . . . . ?
O3 Gd1 O11 C31 -39.1(3) . . . . ?
N2 Gd1 O11 C31 37.1(3) . . . . ?
N1 Gd1 O11 C31 88.9(3) . . . . ?
Gd1 O3 P1 O1 124.8(2) . . . . ?
Gd1 O3 P1 O2 -126.3(2) . . . . ?
Gd1 O3 P1 Co1 -4.2(3) . . . . ?
C6 O1 P1 O3 -20.1(4) . . . . ?
C6 O1 P1 O2 -134.0(3) . . . . ?
C6 O1 P1 Co1 114.5(3) . . . . ?
C8 O2 P1 O3 -37.6(4) . . . . ?
C8 O2 P1 O1 76.5(3) . . . . ?
C8 O2 P1 Co1 -168.4(3) . . . . ?
C1 Co1 P1 O3 147.8(3) . . . . ?
C2 Co1 P1 O3 145.9(2) . . . . ?
C5 Co1 P1 O3 -138.3(3) . . . . ?
C4 Co1 P1 O3 -146.2(2) . . . . ?
C3 Co1 P1 O3 178.9(2) . . . . ?
P3 Co1 P1 O3 -45.05(16) . . . . ?
P2 Co1 P1 O3 46.93(16) . . . . ?
C1 Co1 P1 O1 19.6(3) . . . . ?
C2 Co1 P1 O1 17.7(2) . . . . ?
C5 Co1 P1 O1 93.5(3) . . . . ?
C4 Co1 P1 O1 85.6(2) . . . . ?
C3 Co1 P1 O1 50.6(2) . . . . ?
P3 Co1 P1 O1 -173.28(14) . . . . ?
P2 Co1 P1 O1 -81.30(14) . . . . ?
C1 Co1 P1 O2 -88.7(3) . . . . ?
C2 Co1 P1 O2 -90.67(19) . . . . ?
C5 Co1 P1 O2 -14.9(3) . . . . ?
C4 Co1 P1 O2 -22.8(2) . . . . ?
C3 Co1 P1 O2 -57.7(2) . . . . ?
P3 Co1 P1 O2 78.36(13) . . . . ?
P2 Co1 P1 O2 170.34(13) . . . . ?
Gd1 O6 P2 O5 105.3(3) . . . . ?
Gd1 O6 P2 O4 -146.3(2) . . . . ?
Gd1 O6 P2 Co1 -22.1(3) . . . . ?
C12 O5 P2 O6 -18.4(5) . . . . ?
C12 O5 P2 O4 -132.3(4) . . . . ?
C12 O5 P2 Co1 114.7(4) . . . . ?
C10 O4 P2 O6 -10.3(4) . . . . ?
C10 O4 P2 O5 103.3(4) . . . . ?
C10 O4 P2 Co1 -141.6(4) . . . . ?
C1 Co1 P2 O6 175.0(2) . . . . ?
C2 Co1 P2 O6 -144.4(2) . . . . ?
C5 Co1 P2 O6 148.6(2) . . . . ?
C4 Co1 P2 O6 -175.2(5) . . . . ?
C3 Co1 P2 O6 -124.2(2) . . . . ?
P1 Co1 P2 O6 -35.48(17) . . . . ?
P3 Co1 P2 O6 56.04(16) . . . . ?
C1 Co1 P2 O5 48.4(2) . . . . ?
C2 Co1 P2 O5 89.0(2) . . . . ?
C5 Co1 P2 O5 21.9(2) . . . . ?
C4 Co1 P2 O5 58.1(5) . . . . ?
C3 Co1 P2 O5 109.2(2) . . . . ?
P1 Co1 P2 O5 -162.13(14) . . . . ?
P3 Co1 P2 O5 -70.61(14) . . . . ?
C1 Co1 P2 O4 -60.2(2) . . . . ?
C2 Co1 P2 O4 -19.7(2) . . . . ?
C5 Co1 P2 O4 -86.7(2) . . . . ?
C4 Co1 P2 O4 -50.5(5) . . . . ?
C3 Co1 P2 O4 0.6(2) . . . . ?
P1 Co1 P2 O4 89.25(15) . . . . ?
P3 Co1 P2 O4 -179.23(15) . . . . ?
Gd1 O9 P3 O7 124.5(3) . . . . ?
Gd1 O9 P3 O8 -126.8(2) . . . . ?
Gd1 O9 P3 Co1 -3.9(3) . . . . ?
C14 O7 P3 O9 -6.8(4) . . . . ?
C14 O7 P3 O8 -120.7(4) . . . . ?
C14 O7 P3 Co1 126.2(4) . . . . ?
C16 O8 P3 O9 -43.7(4) . . . . ?
C16 O8 P3 O7 70.3(3) . . . . ?
C16 O8 P3 Co1 -173.8(3) . . . . ?
C1 Co1 P3 O9 -138.9(2) . . . . ?
C2 Co1 P3 O9 -159.4(4) . . . . ?
C5 Co1 P3 O9 -170.0(2) . . . . ?
C4 Co1 P3 O9 152.1(2) . . . . ?
C3 Co1 P3 O9 136.6(2) . . . . ?
P1 Co1 P3 O9 48.66(15) . . . . ?
P2 Co1 P3 O9 -43.59(16) . . . . ?
C1 Co1 P3 O7 93.8(2) . . . . ?
C2 Co1 P3 O7 73.3(4) . . . . ?
C5 Co1 P3 O7 62.6(2) . . . . ?
C4 Co1 P3 O7 24.8(2) . . . . ?
C3 Co1 P3 O7 9.3(2) . . . . ?
P1 Co1 P3 O7 -78.66(14) . . . . ?
P2 Co1 P3 O7 -170.90(14) . . . . ?
C1 Co1 P3 O8 -15.3(2) . . . . ?
C2 Co1 P3 O8 -35.8(4) . . . . ?
C5 Co1 P3 O8 -46.4(2) . . . . ?
C4 Co1 P3 O8 -84.3(2) . . . . ?
C3 Co1 P3 O8 -99.8(2) . . . . ?
P1 Co1 P3 O8 172.27(13) . . . . ?
P2 Co1 P3 O8 80.02(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.911
_refine_diff_density_min         -1.637
_refine_diff_density_rms         0.097
####################################################################### 
# 
# 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_gf77_0m
_database_code_depnum_ccdc_archive 'CCDC 1423697'
_audit_update_record             
;
2015-09-11 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C68 H92 Co2 N4 O22 P6 Y2'
_chemical_formula_sum            'C68 H92 Co2 N4 O22 P6 Y2'
_chemical_formula_weight         1798.96

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'
P P 0.1023 0.0942 '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'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.8336(15)
_cell_length_b                   15.6695(14)
_cell_length_c                   18.0357(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.523(2)
_cell_angle_gamma                90.00
_cell_volume                     4605.3(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    5829
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      27.05

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1852
_exptl_absorpt_coefficient_mu    1.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6373
_exptl_absorpt_correction_T_max  0.6970
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24190
_diffrn_reflns_av_R_equivalents  0.0163
_diffrn_reflns_av_sigmaI/netI    0.0776
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.80
_diffrn_reflns_theta_max         26.37
_reflns_number_total             9321
_reflns_number_gt                5446
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS (Version =  30715)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.101 0.047 0.207 9 0 ' '
2 0.656 0.198 0.361 169 11 ' '
3 0.656 0.302 0.861 169 11 ' '
4 0.101 0.453 0.707 9 0 ' '
5 0.899 0.547 0.293 9 0 ' '
6 0.344 0.698 0.139 170 11 ' '
7 0.344 0.802 0.639 170 11 ' '
8 0.899 0.953 0.793 9 0 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.025P)²+0.22P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9321
_refine_ls_number_parameters     475
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0364
_refine_ls_wR_factor_ref         0.0857
_refine_ls_wR_factor_gt          0.0837
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0102(3) 0.3897(3) 0.4253(3) 0.0763(12) Uani 1 1 d . . .
H1 H -0.0102 0.4399 0.4472 0.092 Uiso 1 1 calc R . .
C2 C 0.0708(2) 0.3339(3) 0.4630(2) 0.0734(12) Uani 1 1 d . . .
H2 H 0.1009 0.3380 0.5170 0.088 Uiso 1 1 calc R . .
C3 C 0.0821(2) 0.2713(3) 0.4125(3) 0.0763(12) Uani 1 1 d . . .
H3 H 0.1203 0.2232 0.4255 0.092 Uiso 1 1 calc R . .
C4 C 0.0296(3) 0.2862(3) 0.3410(2) 0.0800(13) Uani 1 1 d . . .
H4 H 0.0226 0.2503 0.2953 0.096 Uiso 1 1 calc R . .
C5 C -0.0155(2) 0.3611(3) 0.3484(3) 0.0817(14) Uani 1 1 d . . .
H5 H -0.0583 0.3873 0.3077 0.098 Uiso 1 1 calc R . .
C6 C 0.3038(3) 0.2165(3) 0.3339(2) 0.0888(14) Uani 1 1 d . . .
H6A H 0.3494 0.2228 0.3787 0.107 Uiso 1 1 calc R . .
H6B H 0.3183 0.2445 0.2911 0.107 Uiso 1 1 calc R . .
C7 C 0.2875(3) 0.1241(3) 0.3163(3) 0.1077(16) Uani 1 1 d . . .
H7A H 0.2722 0.0970 0.3585 0.161 Uiso 1 1 calc R . .
H7B H 0.3361 0.0976 0.3084 0.161 Uiso 1 1 calc R . .
H7C H 0.2436 0.1184 0.2709 0.161 Uiso 1 1 calc R . .
C8 C 0.3469(2) 0.3494(3) 0.5158(2) 0.0894(14) Uani 1 1 d . . .
H8A H 0.3454 0.4085 0.5316 0.107 Uiso 1 1 calc R . .
H8B H 0.3842 0.3458 0.4828 0.107 Uiso 1 1 calc R . .
C9 C 0.3785(3) 0.2964(3) 0.5839(2) 0.1074(17) Uani 1 1 d . . .
H9A H 0.3551 0.3151 0.6245 0.161 Uiso 1 1 calc R . .
H9B H 0.4371 0.3015 0.5998 0.161 Uiso 1 1 calc R . .
H9C H 0.3638 0.2379 0.5719 0.161 Uiso 1 1 calc R . .
C10 C 0.1665(3) 0.3223(3) 0.1612(2) 0.1014(16) Uani 1 1 d . . .
H10A H 0.2214 0.3288 0.1939 0.122 Uiso 1 1 calc R . .
H10B H 0.1569 0.2618 0.1513 0.122 Uiso 1 1 calc R . .
C11 C 0.1624(3) 0.3650(3) 0.0893(3) 0.1235(19) Uani 1 1 d . . .
H11A H 0.1067 0.3652 0.0589 0.185 Uiso 1 1 calc R . .
H11B H 0.1965 0.3356 0.0622 0.185 Uiso 1 1 calc R . .
H11C H 0.1812 0.4228 0.0991 0.185 Uiso 1 1 calc R . .
C12 C 0.0001(3) 0.5350(3) 0.1654(2) 0.0923(14) Uani 1 1 d . . .
H12A H 0.0521 0.5496 0.1546 0.111 Uiso 1 1 calc R . .
H12B H -0.0190 0.5852 0.1872 0.111 Uiso 1 1 calc R . .
C13 C -0.0588(3) 0.5156(3) 0.0926(2) 0.0999(16) Uani 1 1 d . . .
H13A H -0.0457 0.4613 0.0741 0.150 Uiso 1 1 calc R . .
H13B H -0.0560 0.5591 0.0559 0.150 Uiso 1 1 calc R . .
H13C H -0.1132 0.5137 0.1003 0.150 Uiso 1 1 calc R . .
C14 C 0.2099(2) 0.5664(3) 0.56027(19) 0.0778(12) Uani 1 1 d . . .
H14A H 0.1719 0.6124 0.5618 0.093 Uiso 1 1 calc R . .
H14B H 0.2540 0.5892 0.5404 0.093 Uiso 1 1 calc R . .
C15 C 0.2445(3) 0.5336(3) 0.6396(2) 0.0933(14) Uani 1 1 d . . .
H15A H 0.2109 0.4878 0.6498 0.140 Uiso 1 1 calc R . .
H15B H 0.2455 0.5788 0.6757 0.140 Uiso 1 1 calc R . .
H15C H 0.2993 0.5132 0.6442 0.140 Uiso 1 1 calc R . .
C16 C 0.0663(3) 0.6511(3) 0.3635(3) 0.0945(14) Uani 1 1 d . . .
H16A H 0.0160 0.6492 0.3230 0.113 Uiso 1 1 calc R . .
H16B H 0.1113 0.6517 0.3389 0.113 Uiso 1 1 calc R . .
C17 C 0.0675(3) 0.7333(3) 0.4030(3) 0.1135(17) Uani 1 1 d . . .
H17A H 0.0244 0.7343 0.4293 0.170 Uiso 1 1 calc R . .
H17B H 0.0593 0.7787 0.3662 0.170 Uiso 1 1 calc R . .
H17C H 0.1195 0.7405 0.4394 0.170 Uiso 1 1 calc R . .
C18 C 0.37567(18) 0.6907(2) 0.43831(17) 0.0444(8) Uani 1 1 d . . .
H18 H 0.4109 0.7078 0.4843 0.053 Uiso 1 1 calc R . .
C19 C 0.31675(18) 0.7533(2) 0.39830(17) 0.0433(8) Uani 1 1 d . . .
C20 C 0.31210(19) 0.8289(2) 0.43686(18) 0.0548(9) Uani 1 1 d . . .
H20 H 0.3435 0.8359 0.4868 0.066 Uiso 1 1 calc R . .
C21 C 0.2610(2) 0.8941(2) 0.40129(18) 0.0608(10) Uani 1 1 d . . .
H21 H 0.2573 0.9443 0.4276 0.073 Uiso 1 1 calc R . .
C22 C 0.2156(2) 0.8842(2) 0.32692(19) 0.0595(10) Uani 1 1 d . . .
H22 H 0.1817 0.9281 0.3028 0.071 Uiso 1 1 calc R . .
C23 C 0.2206(2) 0.8094(2) 0.28822(18) 0.0554(10) Uani 1 1 d . . .
H23 H 0.1900 0.8037 0.2378 0.067 Uiso 1 1 calc R . .
C24 C 0.26995(18) 0.7423(2) 0.32261(18) 0.0430(8) Uani 1 1 d . . .
C25 C 0.48605(19) 0.4682(2) 0.29599(17) 0.0479(9) Uani 1 1 d . . .
H25 H 0.5396 0.4521 0.3197 0.057 Uiso 1 1 calc R . .
C26 C 0.4618(2) 0.4625(2) 0.21399(17) 0.0499(9) Uani 1 1 d . . .
C27 C 0.5208(2) 0.4332(3) 0.17820(18) 0.0645(11) Uani 1 1 d . . .
H27 H 0.5725 0.4178 0.2074 0.077 Uiso 1 1 calc R . .
C28 C 0.5027(2) 0.4270(3) 0.09905(19) 0.0703(11) Uani 1 1 d . . .
H28 H 0.5422 0.4079 0.0750 0.084 Uiso 1 1 calc R . .
C29 C 0.4263(2) 0.4492(2) 0.05681(19) 0.0667(11) Uani 1 1 d . . .
H29 H 0.4139 0.4446 0.0037 0.080 Uiso 1 1 calc R . .
C30 C 0.3671(2) 0.4784(2) 0.09161(18) 0.0571(10) Uani 1 1 d . . .
H30 H 0.3156 0.4937 0.0619 0.069 Uiso 1 1 calc R . .
C31 C 0.3842(2) 0.4848(2) 0.17065(17) 0.0487(9) Uani 1 1 d . . .
C32 C 0.44355(17) 0.5588(2) 0.46103(17) 0.0424(8) Uani 1 1 d . . .
C33 C 0.47378(18) 0.4955(2) 0.42098(16) 0.0432(8) Uani 1 1 d . . .
C34 C 0.53023(17) 0.4359(2) 0.45920(16) 0.0446(8) Uani 1 1 d . . .
H34 H 0.5501 0.3935 0.4325 0.054 Uiso 1 1 calc R . .
Co1 Co 0.10836(3) 0.38678(3) 0.37100(2) 0.04962(14) Uani 1 1 d . . .
N1 N 0.38377(14) 0.61469(18) 0.41642(13) 0.0426(7) Uani 1 1 d . . .
N2 N 0.44093(15) 0.49350(16) 0.34008(13) 0.0422(6) Uani 1 1 d . . .
O1 O 0.23215(14) 0.25514(16) 0.34770(14) 0.0700(7) Uani 1 1 d . . .
O2 O 0.27168(14) 0.32638(16) 0.47583(13) 0.0702(7) Uani 1 1 d . . .
O3 O 0.29361(12) 0.40086(14) 0.35769(12) 0.0536(6) Uani 1 1 d . . .
O4 O 0.10795(16) 0.35380(17) 0.20173(13) 0.0753(8) Uani 1 1 d . . .
O5 O 0.01486(14) 0.46846(18) 0.22257(13) 0.0751(8) Uani 1 1 d . . .
O6 O 0.16604(12) 0.49790(15) 0.24499(11) 0.0558(6) Uani 1 1 d . . .
O7 O 0.16799(14) 0.50019(16) 0.50965(12) 0.0643(7) Uani 1 1 d . . .
O8 O 0.07152(14) 0.57241(17) 0.40524(14) 0.0683(7) Uani 1 1 d . . .
O9 O 0.21907(13) 0.55373(14) 0.40025(12) 0.0560(6) Uani 1 1 d . . .
O10 O 0.27365(12) 0.67301(14) 0.28297(11) 0.0495(6) Uani 1 1 d . . .
O11 O 0.32535(13) 0.51408(14) 0.20142(11) 0.0515(6) Uani 1 1 d . . .
P1 P 0.23428(6) 0.34566(6) 0.38718(5) 0.0527(3) Uani 1 1 d . . .
P2 P 0.10487(6) 0.43208(7) 0.25680(5) 0.0559(3) Uani 1 1 d . . .
P3 P 0.14774(5) 0.51045(6) 0.42015(5) 0.0505(2) Uani 1 1 d . . .
Y1 Y 0.294147(18) 0.53561(2) 0.310793(16) 0.04125(10) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.387(5) . ?
C1 C5 1.418(5) . ?
C1 Co1 2.121(4) . ?
C1 H1 0.9800 . ?
C2 C3 1.384(5) . ?
C2 Co1 2.090(4) . ?
C2 H2 0.9800 . ?
C3 C4 1.389(5) . ?
C3 Co1 2.049(4) . ?
C3 H3 0.9800 . ?
C4 C5 1.422(6) . ?
C4 Co1 2.044(4) . ?
C4 H4 0.9800 . ?
C5 Co1 2.060(4) . ?
C5 H5 0.9800 . ?
C6 O1 1.426(4) . ?
C6 C7 1.493(6) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O2 1.339(4) . ?
C8 C9 1.468(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.445(5) . ?
C10 O4 1.453(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O5 1.443(4) . ?
C12 C13 1.464(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O7 1.444(4) . ?
C14 C15 1.494(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O8 1.436(4) . ?
C16 C17 1.468(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N1 1.273(4) . ?
C18 C19 1.452(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.386(4) . ?
C19 C24 1.405(4) . ?
C20 C21 1.385(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.375(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.378(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.386(4) . ?
C23 H23 0.9300 . ?
C24 O10 1.310(4) . ?
C25 N2 1.292(3) . ?
C25 C26 1.435(4) . ?
C25 H25 0.9300 . ?
C26 C31 1.388(4) . ?
C26 C27 1.391(4) . ?
C27 C28 1.386(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.365(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.382(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.386(4) . ?
C30 H30 0.9300 . ?
C31 O11 1.333(4) . ?
C32 C33 1.396(4) . ?
C32 C34 1.397(4) 3_666 ?
C32 N1 1.422(3) . ?
C33 C34 1.386(4) . ?
C33 N2 1.425(3) . ?
C34 C32 1.398(4) 3_666 ?
C34 H34 0.9300 . ?
Co1 P1 2.1641(10) . ?
Co1 P3 2.1646(10) . ?
Co1 P2 2.1653(10) . ?
N1 Y1 2.449(2) . ?
N2 Y1 2.483(2) . ?
O1 P1 1.584(3) . ?
O2 P1 1.593(2) . ?
O3 P1 1.515(2) . ?
O3 Y1 2.275(2) . ?
O4 P2 1.587(3) . ?
O5 P2 1.591(2) . ?
O6 P2 1.510(2) . ?
O6 Y1 2.264(2) . ?
O7 P3 1.572(2) . ?
O8 P3 1.577(2) . ?
O9 P3 1.499(2) . ?
O9 Y1 2.303(2) . ?
O10 Y1 2.218(2) . ?
O11 Y1 2.191(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C5 106.7(4) . . ?
C2 C1 Co1 69.5(2) . . ?
C5 C1 Co1 67.9(2) . . ?
C2 C1 H1 126.7 . . ?
C5 C1 H1 126.7 . . ?
Co1 C1 H1 126.7 . . ?
C3 C2 C1 109.3(4) . . ?
C3 C2 Co1 68.9(2) . . ?
C1 C2 Co1 72.0(2) . . ?
C3 C2 H2 125.4 . . ?
C1 C2 H2 125.4 . . ?
Co1 C2 H2 125.4 . . ?
C2 C3 C4 109.4(4) . . ?
C2 C3 Co1 72.1(2) . . ?
C4 C3 Co1 70.0(2) . . ?
C2 C3 H3 125.3 . . ?
C4 C3 H3 125.3 . . ?
Co1 C3 H3 125.3 . . ?
C3 C4 C5 106.4(4) . . ?
C3 C4 Co1 70.4(2) . . ?
C5 C4 Co1 70.4(2) . . ?
C3 C4 H4 126.8 . . ?
C5 C4 H4 126.8 . . ?
Co1 C4 H4 126.8 . . ?
C1 C5 C4 108.3(4) . . ?
C1 C5 Co1 72.5(2) . . ?
C4 C5 Co1 69.1(2) . . ?
C1 C5 H5 125.8 . . ?
C4 C5 H5 125.8 . . ?
Co1 C5 H5 125.8 . . ?
O1 C6 C7 109.2(4) . . ?
O1 C6 H6A 109.8 . . ?
C7 C6 H6A 109.8 . . ?
O1 C6 H6B 109.8 . . ?
C7 C6 H6B 109.8 . . ?
H6A C6 H6B 108.3 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 113.1(3) . . ?
O2 C8 H8A 109.0 . . ?
C9 C8 H8A 109.0 . . ?
O2 C8 H8B 109.0 . . ?
C9 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 O4 114.1(4) . . ?
C11 C10 H10A 108.7 . . ?
O4 C10 H10A 108.7 . . ?
C11 C10 H10B 108.7 . . ?
O4 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 116.6(4) . . ?
O5 C12 H12A 108.1 . . ?
C13 C12 H12A 108.1 . . ?
O5 C12 H12B 108.1 . . ?
C13 C12 H12B 108.1 . . ?
H12A C12 H12B 107.3 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 111.7(3) . . ?
O7 C14 H14A 109.3 . . ?
C15 C14 H14A 109.3 . . ?
O7 C14 H14B 109.3 . . ?
C15 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 120.5(4) . . ?
O8 C16 H16A 107.2 . . ?
C17 C16 H16A 107.2 . . ?
O8 C16 H16B 107.2 . . ?
C17 C16 H16B 107.2 . . ?
H16A C16 H16B 106.8 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 C19 126.2(3) . . ?
N1 C18 H18 116.9 . . ?
C19 C18 H18 116.9 . . ?
C20 C19 C24 120.2(3) . . ?
C20 C19 C18 116.5(3) . . ?
C24 C19 C18 123.1(3) . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 119.9(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.0(3) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 121.6(3) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
O10 C24 C23 119.3(3) . . ?
O10 C24 C19 122.7(3) . . ?
C23 C24 C19 118.0(3) . . ?
N2 C25 C26 126.4(3) . . ?
N2 C25 H25 116.8 . . ?
C26 C25 H25 116.8 . . ?
C31 C26 C27 120.1(3) . . ?
C31 C26 C25 123.3(3) . . ?
C27 C26 C25 116.5(3) . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C29 C28 C27 119.3(3) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 121.1(3) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C29 C30 C31 120.3(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
O11 C31 C30 118.0(3) . . ?
O11 C31 C26 123.0(3) . . ?
C30 C31 C26 119.0(3) . . ?
C33 C32 C34 120.9(3) . 3_666 ?
C33 C32 N1 116.3(3) . . ?
C34 C32 N1 122.8(3) 3_666 . ?
C34 C33 C32 121.0(3) . . ?
C34 C33 N2 122.4(3) . . ?
C32 C33 N2 116.6(3) . . ?
C33 C34 C32 118.2(3) . 3_666 ?
C33 C34 H34 120.9 . . ?
C32 C34 H34 120.9 3_666 . ?
C4 Co1 C3 39.68(15) . . ?
C4 Co1 C5 40.55(16) . . ?
C3 Co1 C5 66.44(17) . . ?
C4 Co1 C2 66.36(15) . . ?
C3 Co1 C2 39.05(15) . . ?
C5 Co1 C2 65.66(15) . . ?
C4 Co1 C1 67.07(16) . . ?
C3 Co1 C1 65.58(16) . . ?
C5 Co1 C1 39.62(15) . . ?
C2 Co1 C1 38.44(14) . . ?
C4 Co1 P1 110.77(16) . . ?
C3 Co1 P1 88.92(12) . . ?
C5 Co1 P1 151.23(16) . . ?
C2 Co1 P1 104.81(13) . . ?
C1 Co1 P1 142.56(14) . . ?
C4 Co1 P3 155.61(14) . . ?
C3 Co1 P3 135.49(15) . . ?
C5 Co1 P3 116.51(16) . . ?
C2 Co1 P3 98.77(13) . . ?
C1 Co1 P3 89.17(12) . . ?
P1 Co1 P3 91.28(4) . . ?
C4 Co1 P2 98.03(13) . . ?
C3 Co1 P2 132.86(15) . . ?
C5 Co1 P2 95.19(12) . . ?
C2 Co1 P2 160.73(11) . . ?
C1 Co1 P2 126.39(14) . . ?
P1 Co1 P2 91.03(4) . . ?
P3 Co1 P2 91.64(4) . . ?
C18 N1 C32 121.1(3) . . ?
C18 N1 Y1 128.44(19) . . ?
C32 N1 Y1 109.8(2) . . ?
C25 N2 C33 120.0(3) . . ?
C25 N2 Y1 131.1(2) . . ?
C33 N2 Y1 108.78(19) . . ?
C6 O1 P1 122.3(2) . . ?
C8 O2 P1 124.8(2) . . ?
P1 O3 Y1 136.45(12) . . ?
C10 O4 P2 135.3(3) . . ?
C12 O5 P2 120.8(2) . . ?
P2 O6 Y1 134.28(12) . . ?
C14 O7 P3 121.4(2) . . ?
C16 O8 P3 124.0(2) . . ?
P3 O9 Y1 136.48(12) . . ?
C24 O10 Y1 135.01(18) . . ?
C31 O11 Y1 143.04(18) . . ?
O3 P1 O1 107.23(13) . . ?
O3 P1 O2 109.34(12) . . ?
O1 P1 O2 103.89(14) . . ?
O3 P1 Co1 119.49(9) . . ?
O1 P1 Co1 107.16(10) . . ?
O2 P1 Co1 108.60(10) . . ?
O6 P2 O4 108.01(14) . . ?
O6 P2 O5 108.50(14) . . ?
O4 P2 O5 102.20(13) . . ?
O6 P2 Co1 120.09(9) . . ?
O4 P2 Co1 110.16(11) . . ?
O5 P2 Co1 106.41(10) . . ?
O9 P3 O7 108.16(13) . . ?
O9 P3 O8 110.29(15) . . ?
O7 P3 O8 101.28(14) . . ?
O9 P3 Co1 119.24(9) . . ?
O7 P3 Co1 107.11(10) . . ?
O8 P3 Co1 109.19(11) . . ?
O11 Y1 O10 90.26(8) . . ?
O11 Y1 O6 84.25(8) . . ?
O10 Y1 O6 93.50(8) . . ?
O11 Y1 O3 102.48(8) . . ?
O10 Y1 O3 165.92(8) . . ?
O6 Y1 O3 81.99(8) . . ?
O11 Y1 O9 161.32(7) . . ?
O10 Y1 O9 87.55(8) . . ?
O6 Y1 O9 77.38(7) . . ?
O3 Y1 O9 78.46(8) . . ?
O11 Y1 N1 122.56(8) . . ?
O10 Y1 N1 73.46(8) . . ?
O6 Y1 N1 149.29(8) . . ?
O3 Y1 N1 103.85(8) . . ?
O9 Y1 N1 74.45(8) . . ?
O11 Y1 N2 72.55(8) . . ?
O10 Y1 N2 113.34(8) . . ?
O6 Y1 N2 143.95(9) . . ?
O3 Y1 N2 76.75(8) . . ?
O9 Y1 N2 125.13(8) . . ?
N1 Y1 N2 65.35(8) . . ?

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
C5 C1 C2 C3 -1.1(4) . . . . ?
Co1 C1 C2 C3 -59.0(3) . . . . ?
C5 C1 C2 Co1 57.9(3) . . . . ?
C1 C2 C3 C4 0.6(5) . . . . ?
Co1 C2 C3 C4 -60.3(3) . . . . ?
C1 C2 C3 Co1 60.9(3) . . . . ?
C2 C3 C4 C5 0.1(4) . . . . ?
Co1 C3 C4 C5 -61.5(3) . . . . ?
C2 C3 C4 Co1 61.6(3) . . . . ?
C2 C1 C5 C4 1.2(4) . . . . ?
Co1 C1 C5 C4 60.1(3) . . . . ?
C2 C1 C5 Co1 -59.0(3) . . . . ?
C3 C4 C5 C1 -0.8(4) . . . . ?
Co1 C4 C5 C1 -62.3(3) . . . . ?
C3 C4 C5 Co1 61.5(3) . . . . ?
N1 C18 C19 C20 172.6(3) . . . . ?
N1 C18 C19 C24 -11.6(5) . . . . ?
C24 C19 C20 C21 0.4(5) . . . . ?
C18 C19 C20 C21 176.3(3) . . . . ?
C19 C20 C21 C22 -1.1(6) . . . . ?
C20 C21 C22 C23 0.6(6) . . . . ?
C21 C22 C23 C24 0.6(6) . . . . ?
C22 C23 C24 O10 -178.8(3) . . . . ?
C22 C23 C24 C19 -1.3(5) . . . . ?
C20 C19 C24 O10 178.2(3) . . . . ?
C18 C19 C24 O10 2.6(5) . . . . ?
C20 C19 C24 C23 0.8(5) . . . . ?
C18 C19 C24 C23 -174.8(3) . . . . ?
N2 C25 C26 C31 0.4(6) . . . . ?
N2 C25 C26 C27 -179.9(3) . . . . ?
C31 C26 C27 C28 0.6(6) . . . . ?
C25 C26 C27 C28 -179.1(3) . . . . ?
C26 C27 C28 C29 -0.5(6) . . . . ?
C27 C28 C29 C30 0.6(6) . . . . ?
C28 C29 C30 C31 -0.6(6) . . . . ?
C29 C30 C31 O11 179.4(3) . . . . ?
C29 C30 C31 C26 0.7(5) . . . . ?
C27 C26 C31 O11 -179.3(3) . . . . ?
C25 C26 C31 O11 0.4(5) . . . . ?
C27 C26 C31 C30 -0.7(5) . . . . ?
C25 C26 C31 C30 179.0(3) . . . . ?
C34 C32 C33 C34 0.4(5) 3_666 . . . ?
N1 C32 C33 C34 -177.9(3) . . . . ?
C34 C32 C33 N2 177.7(3) 3_666 . . . ?
N1 C32 C33 N2 -0.5(4) . . . . ?
C32 C33 C34 C32 -0.4(5) . . . 3_666 ?
N2 C33 C34 C32 -177.6(3) . . . 3_666 ?
C5 C4 Co1 C3 116.5(4) . . . . ?
C3 C4 Co1 C5 -116.5(4) . . . . ?
C3 C4 Co1 C2 -36.9(2) . . . . ?
C5 C4 Co1 C2 79.6(3) . . . . ?
C3 C4 Co1 C1 -78.9(3) . . . . ?
C5 C4 Co1 C1 37.6(2) . . . . ?
C3 C4 Co1 P1 60.7(3) . . . . ?
C5 C4 Co1 P1 177.2(2) . . . . ?
C3 C4 Co1 P3 -92.7(5) . . . . ?
C5 C4 Co1 P3 23.8(5) . . . . ?
C3 C4 Co1 P2 154.9(3) . . . . ?
C5 C4 Co1 P2 -88.6(3) . . . . ?
C2 C3 Co1 C4 -119.3(4) . . . . ?
C2 C3 Co1 C5 -79.9(3) . . . . ?
C4 C3 Co1 C5 39.4(2) . . . . ?
C4 C3 Co1 C2 119.3(4) . . . . ?
C2 C3 Co1 C1 -36.3(2) . . . . ?
C4 C3 Co1 C1 82.9(3) . . . . ?
C2 C3 Co1 P1 115.4(2) . . . . ?
C4 C3 Co1 P1 -125.3(3) . . . . ?
C2 C3 Co1 P3 24.7(3) . . . . ?
C4 C3 Co1 P3 144.0(3) . . . . ?
C2 C3 Co1 P2 -154.2(2) . . . . ?
C4 C3 Co1 P2 -34.9(3) . . . . ?
C1 C5 Co1 C4 118.2(4) . . . . ?
C1 C5 Co1 C3 79.6(3) . . . . ?
C4 C5 Co1 C3 -38.6(2) . . . . ?
C1 C5 Co1 C2 36.7(3) . . . . ?
C4 C5 Co1 C2 -81.5(3) . . . . ?
C4 C5 Co1 C1 -118.2(4) . . . . ?
C1 C5 Co1 P1 112.8(4) . . . . ?
C4 C5 Co1 P1 -5.4(4) . . . . ?
C1 C5 Co1 P3 -51.1(3) . . . . ?
C4 C5 Co1 P3 -169.3(2) . . . . ?
C1 C5 Co1 P2 -145.5(3) . . . . ?
C4 C5 Co1 P2 96.3(3) . . . . ?
C3 C2 Co1 C4 37.4(2) . . . . ?
C1 C2 Co1 C4 -82.4(3) . . . . ?
C1 C2 Co1 C3 -119.8(4) . . . . ?
C3 C2 Co1 C5 82.0(3) . . . . ?
C1 C2 Co1 C5 -37.8(3) . . . . ?
C3 C2 Co1 C1 119.8(4) . . . . ?
C3 C2 Co1 P1 -69.1(2) . . . . ?
C1 C2 Co1 P1 171.1(2) . . . . ?
C3 C2 Co1 P3 -162.8(2) . . . . ?
C1 C2 Co1 P3 77.4(3) . . . . ?
C3 C2 Co1 P2 75.3(6) . . . . ?
C1 C2 Co1 P2 -44.6(6) . . . . ?
C2 C1 Co1 C4 80.4(3) . . . . ?
C5 C1 Co1 C4 -38.5(3) . . . . ?
C2 C1 Co1 C3 36.9(2) . . . . ?
C5 C1 Co1 C3 -82.0(3) . . . . ?
C2 C1 Co1 C5 118.8(4) . . . . ?
C5 C1 Co1 C2 -118.8(4) . . . . ?
C2 C1 Co1 P1 -14.3(4) . . . . ?
C5 C1 Co1 P1 -133.1(3) . . . . ?
C2 C1 Co1 P3 -105.3(3) . . . . ?
C5 C1 Co1 P3 135.9(3) . . . . ?
C2 C1 Co1 P2 163.3(2) . . . . ?
C5 C1 Co1 P2 44.4(3) . . . . ?
C19 C18 N1 C32 -179.5(3) . . . . ?
C19 C18 N1 Y1 -9.6(5) . . . . ?
C33 C32 N1 C18 -152.0(3) . . . . ?
C34 C32 N1 C18 29.8(5) 3_666 . . . ?
C33 C32 N1 Y1 36.4(3) . . . . ?
C34 C32 N1 Y1 -141.8(3) 3_666 . . . ?
C26 C25 N2 C33 179.8(3) . . . . ?
C26 C25 N2 Y1 3.9(5) . . . . ?
C34 C33 N2 C25 -34.3(5) . . . . ?
C32 C33 N2 C25 148.4(3) . . . . ?
C34 C33 N2 Y1 142.5(3) . . . . ?
C32 C33 N2 Y1 -34.8(3) . . . . ?
C7 C6 O1 P1 164.8(3) . . . . ?
C9 C8 O2 P1 -156.4(3) . . . . ?
C11 C10 O4 P2 -82.0(5) . . . . ?
C13 C12 O5 P2 122.2(4) . . . . ?
C15 C14 O7 P3 -162.9(3) . . . . ?
C17 C16 O8 P3 -111.5(4) . . . . ?
C23 C24 O10 Y1 -149.8(2) . . . . ?
C19 C24 O10 Y1 32.8(5) . . . . ?
C30 C31 O11 Y1 173.7(2) . . . . ?
C26 C31 O11 Y1 -7.6(6) . . . . ?
Y1 O3 P1 O1 133.27(18) . . . . ?
Y1 O3 P1 O2 -114.69(19) . . . . ?
Y1 O3 P1 Co1 11.2(2) . . . . ?
C6 O1 P1 O3 37.8(3) . . . . ?
C6 O1 P1 O2 -77.9(3) . . . . ?
C6 O1 P1 Co1 167.2(3) . . . . ?
C8 O2 P1 O3 -5.3(4) . . . . ?
C8 O2 P1 O1 108.9(3) . . . . ?
C8 O2 P1 Co1 -137.3(3) . . . . ?
C4 Co1 P1 O3 138.97(17) . . . . ?
C3 Co1 P1 O3 172.83(18) . . . . ?
C5 Co1 P1 O3 142.7(3) . . . . ?
C2 Co1 P1 O3 -151.11(17) . . . . ?
C1 Co1 P1 O3 -142.0(2) . . . . ?
P3 Co1 P1 O3 -51.68(11) . . . . ?
P2 Co1 P1 O3 39.98(11) . . . . ?
C4 Co1 P1 O1 16.91(17) . . . . ?
C3 Co1 P1 O1 50.77(18) . . . . ?
C5 Co1 P1 O1 20.7(3) . . . . ?
C2 Co1 P1 O1 86.83(17) . . . . ?
C1 Co1 P1 O1 96.0(2) . . . . ?
P3 Co1 P1 O1 -173.74(11) . . . . ?
P2 Co1 P1 O1 -82.08(11) . . . . ?
C4 Co1 P1 O2 -94.75(17) . . . . ?
C3 Co1 P1 O2 -60.89(18) . . . . ?
C5 Co1 P1 O2 -91.0(3) . . . . ?
C2 Co1 P1 O2 -24.83(17) . . . . ?
C1 Co1 P1 O2 -15.7(2) . . . . ?
P3 Co1 P1 O2 74.60(11) . . . . ?
P2 Co1 P1 O2 166.26(11) . . . . ?
Y1 O6 P2 O4 -101.66(19) . . . . ?
Y1 O6 P2 O5 148.27(17) . . . . ?
Y1 O6 P2 Co1 25.7(2) . . . . ?
C10 O4 P2 O6 19.5(4) . . . . ?
C10 O4 P2 O5 133.8(4) . . . . ?
C10 O4 P2 Co1 -113.4(4) . . . . ?
C12 O5 P2 O6 21.9(3) . . . . ?
C12 O5 P2 O4 -92.0(3) . . . . ?
C12 O5 P2 Co1 152.5(3) . . . . ?
C4 Co1 P2 O6 -168.54(19) . . . . ?
C3 Co1 P2 O6 -146.87(19) . . . . ?
C5 Co1 P2 O6 150.7(2) . . . . ?
C2 Co1 P2 O6 156.9(5) . . . . ?
C1 Co1 P2 O6 124.09(18) . . . . ?
P1 Co1 P2 O6 -57.39(12) . . . . ?
P3 Co1 P2 O6 33.92(12) . . . . ?
C4 Co1 P2 O4 -42.15(19) . . . . ?
C3 Co1 P2 O4 -20.5(2) . . . . ?
C5 Co1 P2 O4 -82.89(19) . . . . ?
C2 Co1 P2 O4 -76.7(5) . . . . ?
C1 Co1 P2 O4 -109.53(18) . . . . ?
P1 Co1 P2 O4 69.00(11) . . . . ?
P3 Co1 P2 O4 160.30(11) . . . . ?
C4 Co1 P2 O5 67.90(19) . . . . ?
C3 Co1 P2 O5 89.6(2) . . . . ?
C5 Co1 P2 O5 27.2(2) . . . . ?
C2 Co1 P2 O5 33.3(5) . . . . ?
C1 Co1 P2 O5 0.52(19) . . . . ?
P1 Co1 P2 O5 179.04(11) . . . . ?
P3 Co1 P2 O5 -89.65(11) . . . . ?
Y1 O9 P3 O7 135.29(19) . . . . ?
Y1 O9 P3 O8 -114.8(2) . . . . ?
Y1 O9 P3 Co1 12.7(2) . . . . ?
C14 O7 P3 O9 39.0(3) . . . . ?
C14 O7 P3 O8 -77.0(3) . . . . ?
C14 O7 P3 Co1 168.7(3) . . . . ?
C16 O8 P3 O9 12.3(3) . . . . ?
C16 O8 P3 O7 126.6(3) . . . . ?
C16 O8 P3 Co1 -120.6(3) . . . . ?
C4 Co1 P3 O9 -163.9(4) . . . . ?
C3 Co1 P3 O9 130.6(2) . . . . ?
C5 Co1 P3 O9 -146.88(17) . . . . ?
C2 Co1 P3 O9 146.01(17) . . . . ?
C1 Co1 P3 O9 -176.63(18) . . . . ?
P1 Co1 P3 O9 40.81(12) . . . . ?
P2 Co1 P3 O9 -50.25(12) . . . . ?
C4 Co1 P3 O7 73.0(4) . . . . ?
C3 Co1 P3 O7 7.5(2) . . . . ?
C5 Co1 P3 O7 90.02(17) . . . . ?
C2 Co1 P3 O7 22.92(17) . . . . ?
C1 Co1 P3 O7 60.27(18) . . . . ?
P1 Co1 P3 O7 -82.28(11) . . . . ?
P2 Co1 P3 O7 -173.35(11) . . . . ?
C4 Co1 P3 O8 -35.9(4) . . . . ?
C3 Co1 P3 O8 -101.4(2) . . . . ?
C5 Co1 P3 O8 -18.88(17) . . . . ?
C2 Co1 P3 O8 -85.98(17) . . . . ?
C1 Co1 P3 O8 -48.62(17) . . . . ?
P1 Co1 P3 O8 168.82(11) . . . . ?
P2 Co1 P3 O8 77.75(11) . . . . ?
C31 O11 Y1 O10 122.8(4) . . . . ?
C31 O11 Y1 O6 -143.7(4) . . . . ?
C31 O11 Y1 O3 -63.3(4) . . . . ?
C31 O11 Y1 O9 -154.1(3) . . . . ?
C31 O11 Y1 N1 52.4(4) . . . . ?
C31 O11 Y1 N2 8.3(3) . . . . ?
C24 O10 Y1 O11 -161.5(3) . . . . ?
C24 O10 Y1 O6 114.3(3) . . . . ?
C24 O10 Y1 O3 43.5(4) . . . . ?
C24 O10 Y1 O9 37.1(3) . . . . ?
C24 O10 Y1 N1 -37.4(3) . . . . ?
C24 O10 Y1 N2 -90.4(3) . . . . ?
P2 O6 Y1 O11 125.9(2) . . . . ?
P2 O6 Y1 O10 -144.18(19) . . . . ?
P2 O6 Y1 O3 22.41(19) . . . . ?
P2 O6 Y1 O9 -57.48(19) . . . . ?
P2 O6 Y1 N1 -81.3(3) . . . . ?
P2 O6 Y1 N2 76.5(2) . . . . ?
P1 O3 Y1 O11 -126.44(18) . . . . ?
P1 O3 Y1 O10 27.9(4) . . . . ?
P1 O3 Y1 O6 -44.19(18) . . . . ?
P1 O3 Y1 O9 34.48(18) . . . . ?
P1 O3 Y1 N1 105.08(19) . . . . ?
P1 O3 Y1 N2 165.1(2) . . . . ?
P3 O9 Y1 O11 45.8(4) . . . . ?
P3 O9 Y1 O10 129.3(2) . . . . ?
P3 O9 Y1 O6 35.2(2) . . . . ?
P3 O9 Y1 O3 -49.1(2) . . . . ?
P3 O9 Y1 N1 -157.2(2) . . . . ?
P3 O9 Y1 N2 -113.6(2) . . . . ?
C18 N1 Y1 O11 103.8(3) . . . . ?
C32 N1 Y1 O11 -85.4(2) . . . . ?
C18 N1 Y1 O10 24.4(3) . . . . ?
C32 N1 Y1 O10 -164.8(2) . . . . ?
C18 N1 Y1 O6 -43.6(3) . . . . ?
C32 N1 Y1 O6 127.2(2) . . . . ?
C18 N1 Y1 O3 -141.3(3) . . . . ?
C32 N1 Y1 O3 29.5(2) . . . . ?
C18 N1 Y1 O9 -67.7(3) . . . . ?
C32 N1 Y1 O9 103.1(2) . . . . ?
C18 N1 Y1 N2 150.6(3) . . . . ?
C32 N1 Y1 N2 -38.62(19) . . . . ?
C25 N2 Y1 O11 -5.9(3) . . . . ?
C33 N2 Y1 O11 177.9(2) . . . . ?
C25 N2 Y1 O10 -88.4(3) . . . . ?
C33 N2 Y1 O10 95.4(2) . . . . ?
C25 N2 Y1 O6 46.5(3) . . . . ?
C33 N2 Y1 O6 -129.74(19) . . . . ?
C25 N2 Y1 O3 102.0(3) . . . . ?
C33 N2 Y1 O3 -74.3(2) . . . . ?
C25 N2 Y1 O9 167.4(3) . . . . ?
C33 N2 Y1 O9 -8.9(2) . . . . ?
C25 N2 Y1 N1 -145.7(3) . . . . ?
C33 N2 Y1 N1 37.98(19) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.325
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.050
####################################################################### 
# 
# 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_gf78_0m
_database_code_depnum_ccdc_archive 'CCDC 1423698'
_audit_update_record             
;
2015-09-11 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C74 H92 Cl4 Co2 Gd2 N4 O22 P6'
_chemical_formula_sum            'C74 H92 Cl4 Co2 Gd2 N4 O22 P6'
_chemical_formula_weight         2149.50

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.2141(16)
_cell_length_b                   18.5487(12)
_cell_length_c                   18.7655(14)
_cell_angle_alpha                68.314(2)
_cell_angle_beta                 82.664(3)
_cell_angle_gamma                73.937(2)
_cell_volume                     5348.2(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    4109
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      20.09

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2160
_exptl_absorpt_coefficient_mu    1.776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6553
_exptl_absorpt_correction_T_max  0.7177
_exptl_absorpt_process_details   'SADABS; Bruker, 2008'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28379
_diffrn_reflns_av_R_equivalents  0.0129
_diffrn_reflns_av_sigmaI/netI    0.0814
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.17
_diffrn_reflns_theta_max         26.00
_reflns_number_total             20418
_reflns_number_gt                12190
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS (Version =  30715)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 -0.167 0.167 1235 37 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.06P)²+1.88P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         20418
_refine_ls_number_parameters     1027
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0527
_refine_ls_wR_factor_ref         0.1466
_refine_ls_wR_factor_gt          0.1414
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7564(6) -0.0587(5) 0.4967(6) 0.085(3) Uani 1 1 d . . .
H1 H 0.7074 -0.0784 0.5119 0.103 Uiso 1 1 calc R . .
C2 C 0.8031(6) -0.0430(5) 0.5442(6) 0.085(3) Uani 1 1 d . . .
H2 H 0.7905 -0.0481 0.5980 0.102 Uiso 1 1 calc R . .
C3 C 0.8705(5) -0.0220(5) 0.5026(5) 0.075(2) Uani 1 1 d . . .
H3 H 0.9122 -0.0073 0.5216 0.090 Uiso 1 1 calc R . .
C4 C 0.8705(6) -0.0251(5) 0.4304(5) 0.079(3) Uani 1 1 d . . .
H4 H 0.9115 -0.0137 0.3893 0.095 Uiso 1 1 calc R . .
C5 C 0.7969(6) -0.0452(5) 0.4263(5) 0.076(2) Uani 1 1 d . . .
H5 H 0.7803 -0.0526 0.3820 0.092 Uiso 1 1 calc R . .
C6 C 0.6369(5) 0.1087(5) 0.6384(5) 0.079(3) Uani 1 1 d . . .
H6A H 0.5844 0.0972 0.6438 0.095 Uiso 1 1 calc R . .
H6B H 0.6302 0.1652 0.6286 0.095 Uiso 1 1 calc R . .
C7 C 0.6921(5) 0.0527(5) 0.7103(5) 0.084(3) Uani 1 1 d . . .
H7A H 0.6693 0.0086 0.7403 0.126 Uiso 1 1 calc R . .
H7B H 0.6945 0.0832 0.7413 0.126 Uiso 1 1 calc R . .
H7C H 0.7456 0.0327 0.6927 0.126 Uiso 1 1 calc R . .
C8 C 0.4927(5) 0.1221(5) 0.4932(5) 0.079(3) Uani 1 1 d . . .
H8A H 0.4644 0.0877 0.5338 0.094 Uiso 1 1 calc R . .
H8B H 0.4902 0.1683 0.5069 0.094 Uiso 1 1 calc R . .
C9 C 0.4464(6) 0.1512(6) 0.4210(5) 0.094(3) Uani 1 1 d . . .
H9A H 0.4728 0.1860 0.3799 0.141 Uiso 1 1 calc R . .
H9B H 0.3924 0.1801 0.4289 0.141 Uiso 1 1 calc R . .
H9C H 0.4446 0.1063 0.4081 0.141 Uiso 1 1 calc R . .
C10 C 0.8469(5) 0.2169(5) 0.5380(5) 0.075(2) Uani 1 1 d . . .
H10A H 0.8102 0.2375 0.5737 0.090 Uiso 1 1 calc R . .
H10B H 0.8482 0.2618 0.4908 0.090 Uiso 1 1 calc R . .
C11 C 0.9310(5) 0.1856(6) 0.5710(5) 0.094(3) Uani 1 1 d . . .
H11A H 0.9314 0.1409 0.6179 0.141 Uiso 1 1 calc R . .
H11B H 0.9453 0.2274 0.5811 0.141 Uiso 1 1 calc R . .
H11C H 0.9694 0.1689 0.5348 0.141 Uiso 1 1 calc R . .
C12 C 0.9423(5) 0.2058(6) 0.3694(5) 0.089(3) Uani 1 1 d . . .
H12A H 0.9572 0.2208 0.4091 0.107 Uiso 1 1 calc R . .
H12B H 0.9058 0.2519 0.3351 0.107 Uiso 1 1 calc R . .
C13 C 1.0180(5) 0.1754(6) 0.3251(5) 0.087(3) Uani 1 1 d . . .
H13A H 1.0584 0.1382 0.3607 0.130 Uiso 1 1 calc R . .
H13B H 1.0387 0.2199 0.2921 0.130 Uiso 1 1 calc R . .
H13C H 1.0039 0.1492 0.2948 0.130 Uiso 1 1 calc R . .
C14 C 0.8014(5) 0.1867(5) 0.2175(5) 0.074(2) Uani 1 1 d . . .
H14A H 0.8147 0.2167 0.2450 0.089 Uiso 1 1 calc R . .
H14B H 0.7514 0.2188 0.1916 0.089 Uiso 1 1 calc R . .
C15 C 0.8649(5) 0.1832(5) 0.1571(5) 0.083(3) Uani 1 1 d . . .
H15A H 0.8673 0.2366 0.1250 0.124 Uiso 1 1 calc R . .
H15B H 0.8524 0.1564 0.1266 0.124 Uiso 1 1 calc R . .
H15C H 0.9161 0.1543 0.1804 0.124 Uiso 1 1 calc R . .
C16 C 0.6103(4) 0.0915(5) 0.2632(5) 0.070(2) Uani 1 1 d . . .
H16A H 0.6400 0.1078 0.2148 0.084 Uiso 1 1 calc R . .
H16B H 0.5684 0.1381 0.2653 0.084 Uiso 1 1 calc R . .
C17 C 0.5692(5) 0.0281(5) 0.2630(5) 0.077(2) Uani 1 1 d . . .
H17A H 0.6045 -0.0242 0.2847 0.115 Uiso 1 1 calc R . .
H17B H 0.5578 0.0370 0.2113 0.115 Uiso 1 1 calc R . .
H17C H 0.5196 0.0318 0.2929 0.115 Uiso 1 1 calc R . .
C18 C 1.0959(6) 0.0565(5) -0.2027(6) 0.083(3) Uani 1 1 d . . .
H18 H 1.0711 0.0811 -0.2530 0.099 Uiso 1 1 calc R . .
C19 C 1.0533(6) 0.0395(5) -0.1294(6) 0.086(3) Uani 1 1 d . . .
H19 H 0.9945 0.0521 -0.1203 0.103 Uiso 1 1 calc R . .
C20 C 1.1133(6) 0.0046(5) -0.0733(6) 0.080(3) Uani 1 1 d . . .
H20 H 1.1026 -0.0131 -0.0177 0.096 Uiso 1 1 calc R . .
C21 C 1.1890(6) -0.0010(5) -0.1085(5) 0.075(2) Uani 1 1 d . . .
H21 H 1.2403 -0.0272 -0.0818 0.090 Uiso 1 1 calc R . .
C22 C 1.1811(6) 0.0286(5) -0.1890(5) 0.077(2) Uani 1 1 d . . .
H22 H 1.2249 0.0270 -0.2276 0.093 Uiso 1 1 calc R . .
C23 C 0.9054(5) 0.2296(5) -0.0567(5) 0.088(3) Uani 1 1 d . . .
H23A H 0.8891 0.2845 -0.0918 0.106 Uiso 1 1 calc R . .
H23B H 0.9390 0.2298 -0.0190 0.106 Uiso 1 1 calc R . .
C24 C 0.8293(5) 0.2077(6) -0.0143(6) 0.104(3) Uani 1 1 d . . .
H24A H 0.8034 0.2450 0.0110 0.155 Uiso 1 1 calc R . .
H24B H 0.8432 0.1546 0.0231 0.155 Uiso 1 1 calc R . .
H24C H 0.7930 0.2096 -0.0502 0.155 Uiso 1 1 calc R . .
C25 C 0.9766(6) 0.3305(6) -0.2965(6) 0.096(3) Uani 1 1 d . . .
H25A H 0.9193 0.3496 -0.2867 0.115 Uiso 1 1 calc R . .
H25B H 1.0044 0.3585 -0.2777 0.115 Uiso 1 1 calc R . .
C26 C 0.9890(5) 0.3585(5) -0.3802(5) 0.084(3) Uani 1 1 d . . .
H26A H 1.0456 0.3438 -0.3927 0.126 Uiso 1 1 calc R . .
H26B H 0.9694 0.4158 -0.4008 0.126 Uiso 1 1 calc R . .
H26C H 0.9600 0.3344 -0.4018 0.126 Uiso 1 1 calc R . .
C27 C 1.3228(6) 0.1004(7) -0.0087(6) 0.107(3) Uani 1 1 d . . .
H27A H 1.3171 0.1566 -0.0178 0.128 Uiso 1 1 calc R . .
H27B H 1.3651 0.0832 -0.0426 0.128 Uiso 1 1 calc R . .
C28 C 1.3403(6) 0.0488(6) 0.0755(5) 0.099(3) Uani 1 1 d . . .
H28A H 1.2979 0.0675 0.1078 0.148 Uiso 1 1 calc R . .
H28B H 1.3910 0.0526 0.0883 0.148 Uiso 1 1 calc R . .
H28C H 1.3431 -0.0060 0.0834 0.148 Uiso 1 1 calc R . .
C29 C 1.0933(6) 0.1663(5) 0.0655(5) 0.086(3) Uani 1 1 d . . .
H29A H 1.0457 0.2099 0.0475 0.103 Uiso 1 1 calc R . .
H29B H 1.1383 0.1900 0.0600 0.103 Uiso 1 1 calc R . .
C30 C 1.0800(6) 0.1228(6) 0.1494(5) 0.098(3) Uani 1 1 d . . .
H30A H 1.0270 0.1133 0.1580 0.147 Uiso 1 1 calc R . .
H30B H 1.0848 0.1547 0.1781 0.147 Uiso 1 1 calc R . .
H30C H 1.1199 0.0725 0.1657 0.147 Uiso 1 1 calc R . .
C31 C 1.3452(5) 0.2065(6) -0.2044(5) 0.083(3) Uani 1 1 d . . .
H31A H 1.3377 0.2177 -0.1571 0.100 Uiso 1 1 calc R . .
H31B H 1.3264 0.2567 -0.2460 0.100 Uiso 1 1 calc R . .
C32 C 1.4360(5) 0.1726(5) -0.2177(5) 0.085(3) Uani 1 1 d . . .
H32A H 1.4595 0.1358 -0.1699 0.128 Uiso 1 1 calc R . .
H32B H 1.4624 0.2157 -0.2381 0.128 Uiso 1 1 calc R . .
H32C H 1.4427 0.1452 -0.2535 0.128 Uiso 1 1 calc R . .
C33 C 1.2202(5) 0.2423(5) -0.3781(5) 0.083(3) Uani 1 1 d . . .
H33A H 1.2244 0.2899 -0.3701 0.099 Uiso 1 1 calc R . .
H33B H 1.1769 0.2585 -0.4135 0.099 Uiso 1 1 calc R . .
C34 C 1.2981(5) 0.2095(5) -0.4147(5) 0.085(3) Uani 1 1 d . . .
H34A H 1.3269 0.1602 -0.3783 0.127 Uiso 1 1 calc R . .
H34B H 1.3306 0.2476 -0.4305 0.127 Uiso 1 1 calc R . .
H34C H 1.2865 0.1998 -0.4586 0.127 Uiso 1 1 calc R . .
C35 C 0.7497(4) 0.4511(4) 0.3188(4) 0.0576(19) Uani 1 1 d . . .
H35 H 0.7849 0.4791 0.2854 0.069 Uiso 1 1 calc R . .
C36 C 0.7302(5) 0.4570(5) 0.3982(4) 0.065(2) Uani 1 1 d . . .
C37 C 0.7756(5) 0.5012(5) 0.4124(5) 0.069(2) Uani 1 1 d . . .
H37 H 0.8081 0.5278 0.3739 0.083 Uiso 1 1 calc R . .
C38 C 0.7714(5) 0.5050(5) 0.4879(4) 0.066(2) Uani 1 1 d . . .
C39 C 0.7246(4) 0.4635(5) 0.5445(5) 0.070(2) Uani 1 1 d . . .
H39 H 0.7229 0.4648 0.5938 0.084 Uiso 1 1 calc R . .
C40 C 0.6790(5) 0.4189(5) 0.5286(4) 0.071(2) Uani 1 1 d . . .
H40 H 0.6476 0.3907 0.5671 0.085 Uiso 1 1 calc R . .
C41 C 0.6816(4) 0.4175(4) 0.4526(4) 0.0557(19) Uani 1 1 d . . .
C42 C 0.5362(4) 0.4263(4) 0.1934(4) 0.0540(18) Uani 1 1 d . . .
H42 H 0.5386 0.4550 0.1410 0.065 Uiso 1 1 calc R . .
C43 C 0.4591(5) 0.4229(4) 0.2293(4) 0.061(2) Uani 1 1 d . . .
C44 C 0.3920(5) 0.4677(5) 0.1825(4) 0.064(2) Uani 1 1 d . . .
H44 H 0.4009 0.4916 0.1300 0.077 Uiso 1 1 calc R . .
C45 C 0.3132(5) 0.4774(5) 0.2117(5) 0.071(2) Uani 1 1 d . . .
C46 C 0.2991(5) 0.4405(5) 0.2907(5) 0.069(2) Uani 1 1 d . . .
H46 H 0.2466 0.4459 0.3113 0.083 Uiso 1 1 calc R . .
C47 C 0.3628(5) 0.3969(5) 0.3363(5) 0.067(2) Uani 1 1 d . . .
H47 H 0.3529 0.3732 0.3886 0.080 Uiso 1 1 calc R . .
C48 C 0.4427(4) 0.3859(4) 0.3086(4) 0.0548(18) Uani 1 1 d . . .
C49 C 0.7391(4) 0.4075(4) 0.2199(4) 0.0531(18) Uani 1 1 d . . .
C50 C 0.8140(4) 0.4086(4) 0.1852(4) 0.0485(17) Uani 1 1 d . . .
H50 H 0.8542 0.4154 0.2090 0.058 Uiso 1 1 calc R . .
C51 C 0.8294(4) 0.3996(4) 0.1142(4) 0.0515(17) Uani 1 1 d . . .
C52 C 0.7684(4) 0.3955(4) 0.0756(4) 0.0503(17) Uani 1 1 d . . .
H52 H 0.7775 0.3951 0.0258 0.060 Uiso 1 1 calc R . .
C53 C 0.6916(4) 0.3920(4) 0.1130(4) 0.0574(19) Uani 1 1 d . . .
H53 H 0.6503 0.3861 0.0898 0.069 Uiso 1 1 calc R . .
C54 C 0.6804(4) 0.3977(4) 0.1874(4) 0.0491(17) Uani 1 1 d . . .
C55 C 0.9832(5) 0.3640(4) 0.1139(4) 0.063(2) Uani 1 1 d . . .
H55 H 0.9797 0.3462 0.1672 0.076 Uiso 1 1 calc R . .
C56 C 1.0566(4) 0.3562(4) 0.0817(4) 0.0542(18) Uani 1 1 d . . .
H56 H 1.1020 0.3307 0.1118 0.065 Uiso 1 1 calc R . .
C57 C 1.0654(4) 0.3876(4) -0.0005(4) 0.0574(19) Uani 1 1 d . . .
C58 C 0.9970(4) 0.4226(4) -0.0428(4) 0.0538(18) Uani 1 1 d . . .
C59 C 0.9166(4) 0.4295(4) -0.0074(4) 0.0429(16) Uani 1 1 d . . .
H59 H 0.8706 0.4542 -0.0368 0.051 Uiso 1 1 calc R . .
C60 C 0.9106(4) 0.3968(4) 0.0750(4) 0.0502(17) Uani 1 1 d . . .
C61 C 0.9558(5) 0.5103(5) -0.1655(5) 0.060(2) Uani 1 1 d . . .
H61 H 0.9112 0.5331 -0.1404 0.072 Uiso 1 1 calc R . .
C62 C 0.9592(5) 0.5485(4) -0.2477(4) 0.0553(18) Uani 1 1 d . . .
C63 C 0.8943(4) 0.6129(4) -0.2782(4) 0.0531(18) Uani 1 1 d . . .
H63 H 0.8532 0.6296 -0.2461 0.064 Uiso 1 1 calc R . .
C64 C 0.8911(4) 0.6536(4) -0.3600(5) 0.061(2) Uani 1 1 d . . .
C65 C 0.9532(4) 0.6293(4) -0.4077(4) 0.0561(18) Uani 1 1 d . . .
H65 H 0.9525 0.6557 -0.4606 0.067 Uiso 1 1 calc R . .
C66 C 1.0163(4) 0.5643(4) -0.3735(4) 0.0561(18) Uani 1 1 d . . .
H66 H 1.0570 0.5465 -0.4053 0.067 Uiso 1 1 calc R . .
C67 C 1.0224(5) 0.5245(4) -0.2959(4) 0.0528(18) Uani 1 1 d . . .
C68 C 1.2031(4) 0.3905(4) -0.0145(4) 0.0546(19) Uani 1 1 d . . .
H68 H 1.1970 0.3956 0.0335 0.066 Uiso 1 1 calc R . .
C69 C 1.2795(2) 0.3908(3) -0.0524(3) 0.0569(19) Uani 1 1 d G . .
C70 C 1.3392(3) 0.3914(3) -0.0093(2) 0.063(2) Uani 1 1 d G . .
H70 H 1.3266 0.3940 0.0395 0.075 Uiso 1 1 calc R . .
C71 C 1.4178(2) 0.3879(3) -0.0392(3) 0.074(2) Uani 1 1 d G . .
C72 C 1.4367(2) 0.3839(3) -0.1121(3) 0.066(2) Uani 1 1 d G . .
H72 H 1.4892 0.3816 -0.1321 0.079 Uiso 1 1 calc R . .
C73 C 1.3770(3) 0.3833(3) -0.1552(2) 0.062(2) Uani 1 1 d G . .
H73 H 1.3896 0.3807 -0.2039 0.075 Uiso 1 1 calc R . .
C74 C 1.2984(2) 0.3868(3) -0.1253(2) 0.0512(17) Uani 1 1 d G . .
Cl1 Cl 0.82720(12) 0.55771(12) 0.51000(11) 0.0694(5) Uani 1 1 d . . .
Cl2 Cl 0.23275(12) 0.53390(14) 0.15099(12) 0.0781(6) Uani 1 1 d . . .
Cl3 Cl 0.80986(12) 0.73681(12) -0.39756(11) 0.0709(5) Uani 1 1 d . . .
Cl4 Cl 1.49209(12) 0.39200(14) 0.01372(12) 0.0777(6) Uani 1 1 d . . .
Co1 Co 0.76238(6) 0.05884(6) 0.44979(6) 0.0618(3) Uani 1 1 d . . .
Co2 Co 1.13559(7) 0.11848(7) -0.14228(7) 0.0765(3) Uani 1 1 d . . .
Gd1 Gd 0.63828(2) 0.30796(2) 0.36564(2) 0.05098(11) Uani 1 1 d . . .
Gd2 Gd 1.12783(2) 0.35680(2) -0.16125(2) 0.05616(12) Uani 1 1 d . . .
N1 N 0.7183(3) 0.4085(3) 0.2982(3) 0.0486(14) Uani 1 1 d . . .
N2 N 0.6044(4) 0.3914(3) 0.2295(3) 0.0531(15) Uani 1 1 d . . .
N3 N 1.0061(3) 0.4489(4) -0.1221(3) 0.0536(15) Uani 1 1 d . . .
N4 N 1.1373(3) 0.3832(3) -0.0430(3) 0.0489(14) Uani 1 1 d . . .
O1 O 0.6857(3) 0.0838(3) 0.5834(3) 0.0800(16) Uani 1 1 d . . .
O2 O 0.5802(3) 0.0771(3) 0.4929(3) 0.0765(15) Uani 1 1 d . . .
O3 O 0.6219(3) 0.2020(3) 0.4761(3) 0.0686(14) Uani 1 1 d . . .
O4 O 0.8133(3) 0.1623(3) 0.5219(3) 0.0805(17) Uani 1 1 d . . .
O5 O 0.9052(3) 0.1400(3) 0.4024(3) 0.0792(16) Uani 1 1 d . . .
O6 O 0.7655(3) 0.2424(3) 0.4025(3) 0.0712(15) Uani 1 1 d . . .
O7 O 0.7839(3) 0.1168(3) 0.2735(3) 0.0712(15) Uani 1 1 d . . .
O8 O 0.6614(3) 0.0699(3) 0.3203(3) 0.0733(15) Uani 1 1 d . . .
O9 O 0.6645(3) 0.2087(3) 0.3130(2) 0.0510(11) Uani 1 1 d . . .
O10 O 0.6388(3) 0.3748(3) 0.4416(2) 0.0574(12) Uani 1 1 d . . .
O11 O 0.5043(3) 0.3440(3) 0.3568(3) 0.0615(13) Uani 1 1 d . . .
O12 O 0.9555(3) 0.1849(3) -0.0991(3) 0.0824(17) Uani 1 1 d . . .
O13 O 1.0000(3) 0.2451(4) -0.2471(3) 0.0813(16) Uani 1 1 d . . .
O14 O 1.0233(3) 0.2948(3) -0.1452(3) 0.0833(17) Uani 1 1 d . . .
O15 O 1.2499(4) 0.0868(4) -0.0186(3) 0.0885(18) Uani 1 1 d . . .
O16 O 1.1085(3) 0.1227(3) 0.0178(3) 0.0774(16) Uani 1 1 d . . .
O17 O 1.1855(4) 0.2301(3) -0.0687(3) 0.0824(17) Uani 1 1 d . . .
O18 O 1.2948(3) 0.1503(3) -0.1997(3) 0.0805(16) Uani 1 1 d . . .
O19 O 1.1982(4) 0.1868(3) -0.3051(3) 0.0831(17) Uani 1 1 d . . .
O20 O 1.1895(3) 0.2762(3) -0.2279(3) 0.0818(17) Uani 1 1 d . . .
O21 O 1.0830(3) 0.4634(3) -0.2659(3) 0.0600(13) Uani 1 1 d . . .
O22 O 1.2434(3) 0.3877(3) -0.1711(3) 0.0611(13) Uani 1 1 d . . .
P1 P 0.65110(14) 0.11215(14) 0.50084(13) 0.0709(6) Uani 1 1 d . . .
P2 P 0.81550(13) 0.15495(13) 0.43996(13) 0.0636(6) Uani 1 1 d . . .
P3 P 0.71346(13) 0.12105(12) 0.33728(12) 0.0611(5) Uani 1 1 d . . .
P4 P 1.02330(15) 0.21862(15) -0.15878(15) 0.0803(7) Uani 1 1 d . . .
P5 P 1.16878(15) 0.14529(15) -0.05418(14) 0.0775(7) Uani 1 1 d . . .
P6 P 1.19939(15) 0.19151(14) -0.22475(14) 0.0779(7) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C5 1.382(11) . ?
C1 C2 1.425(12) . ?
C1 Co1 2.054(8) . ?
C1 H1 0.9800 . ?
C2 C3 1.379(11) . ?
C2 Co1 2.076(9) . ?
C2 H2 0.9800 . ?
C3 C4 1.377(11) . ?
C3 Co1 2.126(8) . ?
C3 H3 0.9800 . ?
C4 C5 1.433(12) . ?
C4 Co1 2.159(8) . ?
C4 H4 0.9800 . ?
C5 Co1 2.048(8) . ?
C5 H5 0.9800 . ?
C6 O1 1.378(8) . ?
C6 C7 1.596(11) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.502(11) . ?
C8 O2 1.508(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O4 1.431(8) . ?
C10 C11 1.521(11) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O5 1.433(9) . ?
C12 C13 1.539(10) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O7 1.417(9) . ?
C14 C15 1.477(10) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O8 1.344(8) . ?
C16 C17 1.532(10) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C22 1.435(12) . ?
C18 C19 1.442(12) . ?
C18 Co2 2.160(9) . ?
C18 H18 0.9800 . ?
C19 C20 1.414(12) . ?
C19 Co2 2.238(8) . ?
C19 H19 0.9800 . ?
C20 C21 1.379(11) . ?
C20 Co2 2.141(9) . ?
C20 H20 0.9800 . ?
C21 C22 1.414(11) . ?
C21 Co2 2.035(9) . ?
C21 H21 0.9800 . ?
C22 Co2 2.084(8) . ?
C22 H22 0.9800 . ?
C23 O12 1.409(9) . ?
C23 C24 1.518(11) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.467(11) . ?
C25 O13 1.479(10) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 O15 1.394(11) . ?
C27 C28 1.533(12) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 O16 1.370(9) . ?
C29 C30 1.501(11) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 O18 1.503(9) . ?
C31 C32 1.542(11) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 O19 1.457(9) . ?
C33 C34 1.504(10) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 N1 1.259(8) . ?
C35 C36 1.522(9) . ?
C35 H35 0.9300 . ?
C36 C41 1.360(10) . ?
C36 C37 1.386(10) . ?
C37 C38 1.435(10) . ?
C37 H37 0.9300 . ?
C38 C39 1.377(10) . ?
C38 Cl1 1.723(7) . ?
C39 C40 1.410(9) . ?
C39 H39 0.9300 . ?
C40 C41 1.430(9) . ?
C40 H40 0.9300 . ?
C41 O10 1.302(8) . ?
C42 N2 1.310(8) . ?
C42 C43 1.417(9) . ?
C42 H42 0.9300 . ?
C43 C44 1.409(10) . ?
C43 C48 1.418(10) . ?
C44 C45 1.387(10) . ?
C44 H44 0.9300 . ?
C45 C46 1.405(10) . ?
C45 Cl2 1.741(7) . ?
C46 C47 1.352(10) . ?
C46 H46 0.9300 . ?
C47 C48 1.395(10) . ?
C47 H47 0.9300 . ?
C48 O11 1.347(8) . ?
C49 C54 1.330(9) . ?
C49 C50 1.370(9) . ?
C49 N1 1.472(8) . ?
C50 C51 1.386(9) . ?
C50 H50 0.9300 . ?
C51 C52 1.384(9) . ?
C51 C60 1.491(9) . ?
C52 C53 1.422(9) . ?
C52 H52 0.9300 . ?
C53 C54 1.423(9) . ?
C53 H53 0.9300 . ?
C54 N2 1.450(8) . ?
C55 C56 1.324(9) . ?
C55 C60 1.396(9) . ?
C55 H55 0.9300 . ?
C56 C57 1.437(9) . ?
C56 H56 0.9300 . ?
C57 C58 1.367(9) . ?
C57 N4 1.384(8) . ?
C58 N3 1.388(8) . ?
C58 C59 1.450(9) . ?
C59 C60 1.438(9) . ?
C59 H59 0.9300 . ?
C61 N3 1.288(9) . ?
C61 C62 1.442(10) . ?
C61 H61 0.9300 . ?
C62 C63 1.386(9) . ?
C62 C67 1.408(10) . ?
C63 C64 1.440(10) . ?
C63 H63 0.9300 . ?
C64 C65 1.391(10) . ?
C64 Cl3 1.757(7) . ?
C65 C66 1.389(9) . ?
C65 H65 0.9300 . ?
C66 C67 1.370(9) . ?
C66 H66 0.9300 . ?
C67 O21 1.308(8) . ?
C68 N4 1.370(8) . ?
C68 C69 1.414(8) . ?
C68 H68 0.9300 . ?
C69 C70 1.3900 . ?
C69 C74 1.3900 . ?
C70 C71 1.3900 . ?
C70 H70 0.9300 . ?
C71 C72 1.3900 . ?
C71 Cl4 1.750(4) . ?
C72 C73 1.3900 . ?
C72 H72 0.9300 . ?
C73 C74 1.3900 . ?
C73 H73 0.9300 . ?
C74 O22 1.352(5) . ?
Co1 P3 2.148(2) . ?
Co1 P2 2.160(2) . ?
Co1 P1 2.179(2) . ?
Co2 P6 2.068(3) . ?
Co2 P5 2.077(3) . ?
Co2 P4 2.241(3) . ?
Gd1 O10 2.210(4) . ?
Gd1 O11 2.227(5) . ?
Gd1 O6 2.246(5) . ?
Gd1 O9 2.311(4) . ?
Gd1 O3 2.322(5) . ?
Gd1 N1 2.491(6) . ?
Gd1 N2 2.494(6) . ?
Gd2 O22 2.186(5) . ?
Gd2 O21 2.245(5) . ?
Gd2 O20 2.256(5) . ?
Gd2 O14 2.325(5) . ?
Gd2 O17 2.379(6) . ?
Gd2 N4 2.476(5) . ?
Gd2 N3 2.530(6) . ?
O1 P1 1.578(6) . ?
O2 P1 1.578(6) . ?
O3 P1 1.506(5) . ?
O4 P2 1.587(5) . ?
O5 P2 1.609(6) . ?
O6 P2 1.551(5) . ?
O7 P3 1.598(5) . ?
O8 P3 1.605(6) . ?
O9 P3 1.534(5) . ?
O12 P4 1.600(6) . ?
O13 P4 1.615(6) . ?
O14 P4 1.525(5) . ?
O15 P5 1.562(6) . ?
O16 P5 1.595(6) . ?
O17 P5 1.595(6) . ?
O18 P6 1.655(6) . ?
O19 P6 1.545(6) . ?
O20 P6 1.512(5) . ?

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
C5 C1 C2 106.2(8) . . ?
C5 C1 Co1 70.1(5) . . ?
C2 C1 Co1 70.6(5) . . ?
C5 C1 H1 126.9 . . ?
C2 C1 H1 126.9 . . ?
Co1 C1 H1 126.9 . . ?
C3 C2 C1 108.6(9) . . ?
C3 C2 Co1 72.9(5) . . ?
C1 C2 Co1 69.0(5) . . ?
C3 C2 H2 125.7 . . ?
C1 C2 H2 125.7 . . ?
Co1 C2 H2 125.7 . . ?
C4 C3 C2 109.6(8) . . ?
C4 C3 Co1 72.5(5) . . ?
C2 C3 Co1 68.9(5) . . ?
C4 C3 H3 125.2 . . ?
C2 C3 H3 125.2 . . ?
Co1 C3 H3 125.2 . . ?
C3 C4 C5 106.3(8) . . ?
C3 C4 Co1 70.0(5) . . ?
C5 C4 Co1 66.0(5) . . ?
C3 C4 H4 126.8 . . ?
C5 C4 H4 126.8 . . ?
Co1 C4 H4 126.8 . . ?
C1 C5 C4 109.2(8) . . ?
C1 C5 Co1 70.5(5) . . ?
C4 C5 Co1 74.3(5) . . ?
C1 C5 H5 125.3 . . ?
C4 C5 H5 125.3 . . ?
Co1 C5 H5 125.3 . . ?
O1 C6 C7 97.7(6) . . ?
O1 C6 H6A 112.2 . . ?
C7 C6 H6A 112.2 . . ?
O1 C6 H6B 112.2 . . ?
C7 C6 H6B 112.2 . . ?
H6A C6 H6B 109.8 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 O2 118.4(7) . . ?
C9 C8 H8A 107.7 . . ?
O2 C8 H8A 107.7 . . ?
C9 C8 H8B 107.7 . . ?
O2 C8 H8B 107.7 . . ?
H8A C8 H8B 107.1 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C11 118.0(7) . . ?
O4 C10 H10A 107.8 . . ?
C11 C10 H10A 107.8 . . ?
O4 C10 H10B 107.8 . . ?
C11 C10 H10B 107.8 . . ?
H10A C10 H10B 107.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 105.3(7) . . ?
O5 C12 H12A 110.7 . . ?
C13 C12 H12A 110.7 . . ?
O5 C12 H12B 110.7 . . ?
C13 C12 H12B 110.7 . . ?
H12A C12 H12B 108.8 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 122.2(7) . . ?
O7 C14 H14A 106.8 . . ?
C15 C14 H14A 106.8 . . ?
O7 C14 H14B 106.8 . . ?
C15 C14 H14B 106.8 . . ?
H14A C14 H14B 106.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 116.6(7) . . ?
O8 C16 H16A 108.1 . . ?
C17 C16 H16A 108.1 . . ?
O8 C16 H16B 108.1 . . ?
C17 C16 H16B 108.1 . . ?
H16A C16 H16B 107.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C18 C19 108.1(9) . . ?
C22 C18 Co2 67.4(5) . . ?
C19 C18 Co2 73.8(5) . . ?
C22 C18 H18 125.9 . . ?
C19 C18 H18 125.9 . . ?
Co2 C18 H18 125.9 . . ?
C20 C19 C18 106.1(9) . . ?
C20 C19 Co2 67.5(5) . . ?
C18 C19 Co2 67.9(5) . . ?
C20 C19 H19 126.9 . . ?
C18 C19 H19 126.9 . . ?
Co2 C19 H19 126.9 . . ?
C21 C20 C19 109.9(9) . . ?
C21 C20 Co2 66.6(5) . . ?
C19 C20 Co2 75.0(5) . . ?
C21 C20 H20 125.1 . . ?
C19 C20 H20 125.1 . . ?
Co2 C20 H20 125.1 . . ?
C20 C21 C22 109.3(9) . . ?
C20 C21 Co2 74.9(5) . . ?
C22 C21 Co2 71.8(5) . . ?
C20 C21 H21 125.1 . . ?
C22 C21 H21 125.1 . . ?
Co2 C21 H21 125.1 . . ?
C21 C22 C18 106.5(9) . . ?
C21 C22 Co2 68.1(5) . . ?
C18 C22 Co2 73.1(5) . . ?
C21 C22 H22 126.7 . . ?
C18 C22 H22 126.7 . . ?
Co2 C22 H22 126.7 . . ?
O12 C23 C24 121.8(7) . . ?
O12 C23 H23A 106.9 . . ?
C24 C23 H23A 106.9 . . ?
O12 C23 H23B 106.9 . . ?
C24 C23 H23B 106.9 . . ?
H23A C23 H23B 106.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 O13 123.2(8) . . ?
C26 C25 H25A 106.5 . . ?
O13 C25 H25A 106.5 . . ?
C26 C25 H25B 106.5 . . ?
O13 C25 H25B 106.5 . . ?
H25A C25 H25B 106.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O15 C27 C28 102.5(9) . . ?
O15 C27 H27A 111.3 . . ?
C28 C27 H27A 111.3 . . ?
O15 C27 H27B 111.3 . . ?
C28 C27 H27B 111.3 . . ?
H27A C27 H27B 109.2 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O16 C29 C30 117.4(8) . . ?
O16 C29 H29A 107.9 . . ?
C30 C29 H29A 107.9 . . ?
O16 C29 H29B 107.9 . . ?
C30 C29 H29B 107.9 . . ?
H29A C29 H29B 107.2 . . ?
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 . . ?
O18 C31 C32 112.9(7) . . ?
O18 C31 H31A 109.0 . . ?
C32 C31 H31A 109.0 . . ?
O18 C31 H31B 109.0 . . ?
C32 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
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 . . ?
O19 C33 C34 114.8(8) . . ?
O19 C33 H33A 108.6 . . ?
C34 C33 H33A 108.6 . . ?
O19 C33 H33B 108.6 . . ?
C34 C33 H33B 108.6 . . ?
H33A C33 H33B 107.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N1 C35 C36 120.1(7) . . ?
N1 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C41 C36 C37 122.7(7) . . ?
C41 C36 C35 125.4(7) . . ?
C37 C36 C35 111.5(7) . . ?
C36 C37 C38 118.7(7) . . ?
C36 C37 H37 120.7 . . ?
C38 C37 H37 120.7 . . ?
C39 C38 C37 119.6(7) . . ?
C39 C38 Cl1 119.2(6) . . ?
C37 C38 Cl1 121.2(6) . . ?
C38 C39 C40 120.6(7) . . ?
C38 C39 H39 119.7 . . ?
C40 C39 H39 119.7 . . ?
C39 C40 C41 119.3(7) . . ?
C39 C40 H40 120.3 . . ?
C41 C40 H40 120.3 . . ?
O10 C41 C36 124.4(7) . . ?
O10 C41 C40 116.5(6) . . ?
C36 C41 C40 119.0(7) . . ?
N2 C42 C43 123.9(7) . . ?
N2 C42 H42 118.1 . . ?
C43 C42 H42 118.1 . . ?
C44 C43 C42 116.2(7) . . ?
C44 C43 C48 116.9(7) . . ?
C42 C43 C48 126.5(7) . . ?
C45 C44 C43 122.4(7) . . ?
C45 C44 H44 118.8 . . ?
C43 C44 H44 118.8 . . ?
C44 C45 C46 119.2(7) . . ?
C44 C45 Cl2 120.2(6) . . ?
C46 C45 Cl2 120.5(6) . . ?
C47 C46 C45 119.1(7) . . ?
C47 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
C46 C47 C48 123.0(8) . . ?
C46 C47 H47 118.5 . . ?
C48 C47 H47 118.5 . . ?
O11 C48 C47 120.7(7) . . ?
O11 C48 C43 119.9(6) . . ?
C47 C48 C43 119.3(7) . . ?
C54 C49 C50 121.6(7) . . ?
C54 C49 N1 113.8(6) . . ?
C50 C49 N1 124.3(6) . . ?
C49 C50 C51 119.7(7) . . ?
C49 C50 H50 120.2 . . ?
C51 C50 H50 120.2 . . ?
C52 C51 C50 120.6(6) . . ?
C52 C51 C60 117.1(6) . . ?
C50 C51 C60 122.2(6) . . ?
C51 C52 C53 119.2(6) . . ?
C51 C52 H52 120.4 . . ?
C53 C52 H52 120.4 . . ?
C52 C53 C54 117.4(7) . . ?
C52 C53 H53 121.3 . . ?
C54 C53 H53 121.3 . . ?
C49 C54 C53 121.2(7) . . ?
C49 C54 N2 118.9(6) . . ?
C53 C54 N2 119.9(6) . . ?
C56 C55 C60 125.8(7) . . ?
C56 C55 H55 117.1 . . ?
C60 C55 H55 117.1 . . ?
C55 C56 C57 119.2(7) . . ?
C55 C56 H56 120.4 . . ?
C57 C56 H56 120.4 . . ?
C58 C57 N4 115.1(7) . . ?
C58 C57 C56 118.5(7) . . ?
N4 C57 C56 126.3(7) . . ?
C57 C58 N3 118.0(6) . . ?
C57 C58 C59 122.2(6) . . ?
N3 C58 C59 119.8(6) . . ?
C60 C59 C58 117.5(6) . . ?
C60 C59 H59 121.3 . . ?
C58 C59 H59 121.3 . . ?
C55 C60 C59 116.7(6) . . ?
C55 C60 C51 123.6(6) . . ?
C59 C60 C51 119.7(6) . . ?
N3 C61 C62 128.8(7) . . ?
N3 C61 H61 115.6 . . ?
C62 C61 H61 115.6 . . ?
C63 C62 C67 120.5(7) . . ?
C63 C62 C61 115.1(7) . . ?
C67 C62 C61 124.4(7) . . ?
C62 C63 C64 119.2(7) . . ?
C62 C63 H63 120.4 . . ?
C64 C63 H63 120.4 . . ?
C65 C64 C63 120.2(7) . . ?
C65 C64 Cl3 121.0(6) . . ?
C63 C64 Cl3 118.7(6) . . ?
C66 C65 C64 117.6(7) . . ?
C66 C65 H65 121.2 . . ?
C64 C65 H65 121.2 . . ?
C67 C66 C65 124.2(7) . . ?
C67 C66 H66 117.9 . . ?
C65 C66 H66 117.9 . . ?
O21 C67 C66 122.3(7) . . ?
O21 C67 C62 119.4(7) . . ?
C66 C67 C62 118.2(7) . . ?
N4 C68 C69 125.2(6) . . ?
N4 C68 H68 117.4 . . ?
C69 C68 H68 117.4 . . ?
C70 C69 C74 120.0 . . ?
C70 C69 C68 114.9(4) . . ?
C74 C69 C68 125.1(4) . . ?
C69 C70 C71 120.0 . . ?
C69 C70 H70 120.0 . . ?
C71 C70 H70 120.0 . . ?
C72 C71 C70 120.0 . . ?
C72 C71 Cl4 120.0(3) . . ?
C70 C71 Cl4 120.0(3) . . ?
C71 C72 C73 120.0 . . ?
C71 C72 H72 120.0 . . ?
C73 C72 H72 120.0 . . ?
C74 C73 C72 120.0 . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
O22 C74 C73 116.6(4) . . ?
O22 C74 C69 123.4(4) . . ?
C73 C74 C69 120.0 . . ?
C5 Co1 C1 39.4(3) . . ?
C5 Co1 C2 65.9(4) . . ?
C1 Co1 C2 40.4(3) . . ?
C5 Co1 C3 65.2(3) . . ?
C1 Co1 C3 66.0(4) . . ?
C2 Co1 C3 38.3(3) . . ?
C5 Co1 P3 89.4(3) . . ?
C1 Co1 P3 114.1(3) . . ?
C2 Co1 P3 153.7(3) . . ?
C3 Co1 P3 139.3(3) . . ?
C5 Co1 C4 39.7(3) . . ?
C1 Co1 C4 66.0(3) . . ?
C2 Co1 C4 64.2(3) . . ?
C3 Co1 C4 37.5(3) . . ?
P3 Co1 C4 103.0(3) . . ?
C5 Co1 P2 136.9(3) . . ?
C1 Co1 P2 151.8(3) . . ?
C2 Co1 P2 112.3(3) . . ?
C3 Co1 P2 87.3(2) . . ?
P3 Co1 P2 91.77(9) . . ?
C4 Co1 P2 98.7(3) . . ?
C5 Co1 P1 131.3(3) . . ?
C1 Co1 P1 98.6(3) . . ?
C2 Co1 P1 98.8(3) . . ?
C3 Co1 P1 130.0(3) . . ?
P3 Co1 P1 90.73(9) . . ?
C4 Co1 P1 162.4(2) . . ?
P2 Co1 P1 91.70(9) . . ?
C21 Co2 P6 115.5(3) . . ?
C21 Co2 P5 100.2(3) . . ?
P6 Co2 P5 93.07(11) . . ?
C21 Co2 C22 40.1(3) . . ?
P6 Co2 C22 90.3(3) . . ?
P5 Co2 C22 135.1(3) . . ?
C21 Co2 C20 38.5(3) . . ?
P6 Co2 C20 153.4(3) . . ?
P5 Co2 C20 97.2(3) . . ?
C22 Co2 C20 65.3(3) . . ?
C21 Co2 C18 65.9(3) . . ?
P6 Co2 C18 104.1(3) . . ?
P5 Co2 C18 161.3(3) . . ?
C22 Co2 C18 39.5(3) . . ?
C20 Co2 C18 64.1(3) . . ?
C21 Co2 C19 64.5(4) . . ?
P6 Co2 C19 141.4(3) . . ?
P5 Co2 C19 125.5(3) . . ?
C22 Co2 C19 65.1(3) . . ?
C20 Co2 C19 37.6(3) . . ?
C18 Co2 C19 38.2(3) . . ?
C21 Co2 P4 149.7(3) . . ?
P6 Co2 P4 92.06(11) . . ?
P5 Co2 P4 90.21(10) . . ?
C22 Co2 P4 134.4(3) . . ?
C20 Co2 P4 112.3(3) . . ?
C18 Co2 P4 96.4(3) . . ?
C19 Co2 P4 86.2(3) . . ?
O10 Gd1 O11 94.20(17) . . ?
O10 Gd1 O6 86.28(17) . . ?
O11 Gd1 O6 163.80(18) . . ?
O10 Gd1 O9 162.78(16) . . ?
O11 Gd1 O9 97.84(16) . . ?
O6 Gd1 O9 78.74(17) . . ?
O10 Gd1 O3 86.89(17) . . ?
O11 Gd1 O3 87.50(18) . . ?
O6 Gd1 O3 76.35(18) . . ?
O9 Gd1 O3 81.41(16) . . ?
O10 Gd1 N1 72.57(17) . . ?
O11 Gd1 N1 119.61(18) . . ?
O6 Gd1 N1 76.00(18) . . ?
O9 Gd1 N1 111.32(16) . . ?
O3 Gd1 N1 146.36(18) . . ?
O10 Gd1 N2 115.66(17) . . ?
O11 Gd1 N2 71.70(18) . . ?
O6 Gd1 N2 122.55(19) . . ?
O9 Gd1 N2 79.98(16) . . ?
O3 Gd1 N2 149.72(19) . . ?
N1 Gd1 N2 63.56(18) . . ?
O22 Gd2 O21 91.23(18) . . ?
O22 Gd2 O20 86.20(18) . . ?
O21 Gd2 O20 94.42(19) . . ?
O22 Gd2 O14 167.04(19) . . ?
O21 Gd2 O14 98.13(19) . . ?
O20 Gd2 O14 84.15(18) . . ?
O22 Gd2 O17 88.73(19) . . ?
O21 Gd2 O17 168.20(17) . . ?
O20 Gd2 O17 73.8(2) . . ?
O14 Gd2 O17 80.3(2) . . ?
O22 Gd2 N4 74.08(17) . . ?
O21 Gd2 N4 117.05(17) . . ?
O20 Gd2 N4 142.6(2) . . ?
O14 Gd2 N4 109.04(18) . . ?
O17 Gd2 N4 74.25(17) . . ?
O22 Gd2 N3 116.21(17) . . ?
O21 Gd2 N3 71.59(19) . . ?
O20 Gd2 N3 153.1(2) . . ?
O14 Gd2 N3 75.52(17) . . ?
O17 Gd2 N3 118.8(2) . . ?
N4 Gd2 N3 62.72(18) . . ?
C35 N1 C49 116.5(6) . . ?
C35 N1 Gd1 134.3(5) . . ?
C49 N1 Gd1 108.7(4) . . ?
C42 N2 C54 119.7(6) . . ?
C42 N2 Gd1 133.4(5) . . ?
C54 N2 Gd1 106.8(4) . . ?
C61 N3 C58 121.7(6) . . ?
C61 N3 Gd2 128.4(5) . . ?
C58 N3 Gd2 109.8(4) . . ?
C68 N4 C57 118.3(6) . . ?
C68 N4 Gd2 129.0(4) . . ?
C57 N4 Gd2 112.6(4) . . ?
C6 O1 P1 118.3(5) . . ?
C8 O2 P1 122.1(5) . . ?
P1 O3 Gd1 134.6(3) . . ?
C10 O4 P2 124.7(5) . . ?
C12 O5 P2 119.1(5) . . ?
P2 O6 Gd1 138.6(3) . . ?
C14 O7 P3 121.9(5) . . ?
C16 O8 P3 129.3(5) . . ?
P3 O9 Gd1 134.7(3) . . ?
C41 O10 Gd1 139.4(4) . . ?
C48 O11 Gd1 144.4(4) . . ?
C23 O12 P4 121.5(5) . . ?
C25 O13 P4 121.3(5) . . ?
P4 O14 Gd2 129.6(3) . . ?
C27 O15 P5 131.8(7) . . ?
C29 O16 P5 118.4(5) . . ?
P5 O17 Gd2 128.5(3) . . ?
C31 O18 P6 116.7(5) . . ?
C33 O19 P6 127.0(5) . . ?
P6 O20 Gd2 139.6(3) . . ?
C67 O21 Gd2 145.6(4) . . ?
C74 O22 Gd2 139.2(4) . . ?
O3 P1 O2 108.9(3) . . ?
O3 P1 O1 105.5(3) . . ?
O2 P1 O1 117.3(3) . . ?
O3 P1 Co1 119.6(2) . . ?
O2 P1 Co1 109.8(2) . . ?
O1 P1 Co1 95.7(2) . . ?
O6 P2 O4 93.6(3) . . ?
O6 P2 O5 112.1(3) . . ?
O4 P2 O5 113.2(3) . . ?
O6 P2 Co1 118.3(2) . . ?
O4 P2 Co1 109.1(2) . . ?
O5 P2 Co1 109.8(2) . . ?
O9 P3 O7 106.3(3) . . ?
O9 P3 O8 108.2(3) . . ?
O7 P3 O8 99.3(3) . . ?
O9 P3 Co1 121.34(19) . . ?
O7 P3 Co1 110.0(2) . . ?
O8 P3 Co1 109.5(2) . . ?
O14 P4 O12 103.5(3) . . ?
O14 P4 O13 106.9(3) . . ?
O12 P4 O13 113.0(3) . . ?
O14 P4 Co2 120.6(3) . . ?
O12 P4 Co2 107.7(2) . . ?
O13 P4 Co2 105.4(2) . . ?
O15 P5 O16 100.1(3) . . ?
O15 P5 O17 101.4(3) . . ?
O16 P5 O17 110.7(3) . . ?
O15 P5 Co2 111.4(2) . . ?
O16 P5 Co2 109.3(2) . . ?
O17 P5 Co2 121.6(2) . . ?
O20 P6 O19 112.4(3) . . ?
O20 P6 O18 101.3(3) . . ?
O19 P6 O18 104.0(3) . . ?
O20 P6 Co2 119.6(2) . . ?
O19 P6 Co2 112.9(3) . . ?
O18 P6 Co2 104.2(2) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         0.856
_refine_diff_density_min         -0.906
_refine_diff_density_rms         0.098
