# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_3
_database_code_depnum_ccdc_archive 'CCDC 1829516'
_audit_update_record             
;
2018-03-13 deposited with the CCDC.
2018-10-23 downloaded from the CCDC.
;

_vrf_PLAT241_3                   
;
PROBLEM: _B Check High Ueq as Compared to Neighbors for O1 
         _C Check High Ueq as Compared to Neighbors for O2 
RESPONSE: There is likely some slight disorder in the bridging oxide
ligands. Additionally, there appears to be a slight impurity
(< 10 % by mass) of a cocrystallization of the known species with
two bridging hydroxide ligands, which was not modeled.
;

_vrf_PLAT301_3                   
;
PROBLEM: _G Note: Main Residue Disorder ................... 3 Perc. 
RESPONSE: One tert-butyl group is modeled as disordered over two
positions (60:40).
;

_vrf_PLAT606_3                   
;
PROBLEM: _G VERY LARGE Solvent Accessible VOID(S) in Structure !
RESPONSE: Reflection contributions from highly disordered solvent (tolene and
perhaps hexane) were removed using program PLATON, function SQUEEZE (Spek,
2003). There were four sites of approximately 200 \%A^3^ each in which around
75 electrons were removed, for a total of 297 electrons in 829 \%A^3^ removed
per unit cell. Since the exact amount and identity of solvent were unknown,
no solvent was included in the atom list or molecular formula. Thus all
fields that derive from the molecular formula (e.g., F(000), density,
molecular weight, etc.) are known to be incorrect.
;

_vrf_PLAT860_3                   
;
PROBLEM: _G Note: Number of Least-Squares Restraints ....... 7 
RESPONSE: Corresponding bond lengths and angles in the two orientations of
the tert-butyl disorder were restrained to be similar. Anisotropic
displacement parameters for pairs of proximal atoms from the two
orientations were constrained to be equivalent.
;

_audit_creation_method           SHELXL-2012
_chemical_name_systematic        bis(diketiminate-cobalt(II))(mu-oxo)
_chemical_name_common            holma07
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H106 Co2 N4 O'
_chemical_formula_sum            'C70 H106 Co2 N4 O'
_chemical_formula_weight         1137.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   13.4757(15)
_cell_length_b                   21.712(2)
_cell_length_c                   25.061(3)
_cell_angle_alpha                95.195(3)
_cell_angle_beta                 102.214(2)
_cell_angle_gamma                97.097(3)
_cell_volume                     7060.1(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.0(5)
_cell_measurement_reflns_used    4073
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      24.45

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.070
_exptl_crystal_F_000             2464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.510
_shelx_estimated_absorpt_T_min   0.887
_shelx_estimated_absorpt_T_max   0.905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6520
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100.0(5)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_monochromator     graphite
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            170497
_diffrn_reflns_av_unetI/netI     0.1316
_diffrn_reflns_av_R_equivalents  0.1729
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.190
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.030
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             24927
_reflns_number_gt                12485
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Data were apparently pre-merged, so _diffrn_reflns_number 
 etc. will have to be added later. 
  
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'

_refine_special_details          
;
 The structure suffered both from non-merohedral twinning and highly
 disordered solvent. After the non-merohedral twin law,
 [ -0.510 0.497 -0.020 / 1.470 0.490 -0.061 / -0.490 -0.497 -0.980 ],
 a 180 degree rotation about reciprocal lattice [ -1 -3 1 ], was determined,
 the data were re-integrated, and a new absorption correction was applied.
 There were 21623 unique reflections solely in the first component,
 21604 unique reflections solely in the second component, and 4867 unique
 overlapping reflections. The mass ratio of the two components refined to 60:40.

 However, since the structure also contained highly disordered solvent
 (toluene and perhaps hexane), the overlapping reflection contributions from
 the minor mass component of the twin were removed. Once the data were modified
 for twinning, they were further modified to remove reflection contributions
 from the disordered solvent. There were four sites of approximately 200 Å³
 each in which around 75 electrons were removed, for a total of 297 electrons
 in 829 Å³ removed per unit cell. Since the exact amount and identity of
 solvent were unknown, no solvent was included in the atom list or molecular
 formula. Thus all fields that derive from the molecular formula (e.g., F(000),
 density, molecular weight, etc.) are known to be incorrect.

 One tert-butyl group is modeled as disordered over two positions (60:40).
 Corresponding bond lengths and angles in the two orientations of the
 disordered group were restrained to be similar. Anisotropic displacement
 parameters for pairs of proximal atoms from the two orientations were
 constrained to be equivalent.
;

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 0.000 0.000 224 77 toluene?
2 0.000 0.500 0.500 204 74 toluene?
3 0.500 0.000 0.500 202 74 toluene?
4 0.500 0.500 0.000 199 73 toluene?
_platon_squeeze_details          
; 
 See above in "_refine_special_details."
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; 
 w=1/[σ²(Fo²)+(0.0972P)²] 
 where P=(Fo²+2Fc²)/3 
;
_atom_sites_solution_primary     difmap
_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         24927
_refine_ls_number_parameters     1456
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1348
_refine_ls_R_factor_gt           0.0745
_refine_ls_wR_factor_ref         0.1960
_refine_ls_wR_factor_gt          0.1714
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_restrained_S_all      0.918
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.09613(5) 0.23816(3) 0.71609(3) 0.02612(18) Uani 1 1 d . . . . .
Co2 Co -0.02859(5) 0.30562(3) 0.80412(3) 0.02475(17) Uani 1 1 d . . . . .
O1 O 0.0433(3) 0.27956(18) 0.76112(17) 0.0563(12) Uani 1 1 d . . . . .
N11 N -0.0802(3) 0.27413(18) 0.86364(15) 0.0237(9) Uani 1 1 d . . . . .
N21 N -0.0845(3) 0.38418(17) 0.80267(15) 0.0234(9) Uani 1 1 d . . . A .
C11 C -0.2484(4) 0.2484(2) 0.89584(19) 0.0262(11) Uani 1 1 d . . . . .
C21 C -0.1715(4) 0.2903(2) 0.87132(19) 0.0254(11) Uani 1 1 d . . . . .
C31 C -0.2063(4) 0.3425(2) 0.85117(19) 0.0272(12) Uani 1 1 d . . . A .
H31A H -0.2738 0.3463 0.8554 0.033 Uiso 1 1 calc R U . . .
C41 C -0.1641(4) 0.3921(2) 0.8255(2) 0.0284(12) Uani 1 1 d D . . . .
C61 C -0.2035(4) 0.2075(3) 0.9391(2) 0.0407(14) Uani 1 1 d . . . . .
H61A H -0.2589 0.1864 0.9536 0.061 Uiso 1 1 calc R U . . .
H61B H -0.1535 0.2339 0.9691 0.061 Uiso 1 1 calc R U . . .
H61C H -0.1695 0.1763 0.9221 0.061 Uiso 1 1 calc R U . . .
C71 C -0.3149(4) 0.2042(2) 0.8461(2) 0.0395(14) Uani 1 1 d . . . . .
H71A H -0.3662 0.1763 0.8583 0.059 Uiso 1 1 calc R U . . .
H71B H -0.2710 0.1793 0.8293 0.059 Uiso 1 1 calc R U . . .
H71C H -0.3496 0.2289 0.8190 0.059 Uiso 1 1 calc R U . . .
C81 C -0.3194(4) 0.2857(2) 0.9219(2) 0.0359(13) Uani 1 1 d . . . . .
H81A H -0.3623 0.2577 0.9392 0.054 Uiso 1 1 calc R U . . .
H81B H -0.3634 0.3044 0.8933 0.054 Uiso 1 1 calc R U . . .
H81C H -0.2779 0.3189 0.9496 0.054 Uiso 1 1 calc R U . . .
C51 C -0.2082(16) 0.4542(6) 0.8339(9) 0.034(2) Uani 0.40(3) 1 d D . P A 1
C91 C -0.174(2) 0.4781(15) 0.8958(8) 0.049(4) Uani 0.40(3) 1 d D . P A 1
H91A H -0.0998 0.4917 0.9055 0.074 Uiso 0.40(3) 1 calc R U P A 1
H91B H -0.1913 0.4443 0.9172 0.074 Uiso 0.40(3) 1 calc R U P A 1
H91C H -0.2096 0.5133 0.9040 0.074 Uiso 0.40(3) 1 calc R U P A 1
C101 C -0.3278(19) 0.4381(19) 0.8171(13) 0.060(5) Uani 0.40(3) 1 d D . P A 1
H10A H -0.3585 0.4756 0.8247 0.091 Uiso 0.40(3) 1 calc R U P A 1
H10B H -0.3506 0.4055 0.8383 0.091 Uiso 0.40(3) 1 calc R U P A 1
H10C H -0.3491 0.4229 0.7778 0.091 Uiso 0.40(3) 1 calc R U P A 1
C111 C -0.1780(4) 0.5079(2) 0.8026(2) 0.0382(14) Uani 0.40(3) 1 d D . P A 1
H11A H -0.1082 0.5283 0.8202 0.057 Uiso 0.40(3) 1 calc R U P A 1
H11B H -0.2259 0.5384 0.8030 0.057 Uiso 0.40(3) 1 calc R U P A 1
H11C H -0.1805 0.4917 0.7645 0.057 Uiso 0.40(3) 1 calc R U P A 1
C51' C -0.2218(11) 0.4499(4) 0.8248(7) 0.034(2) Uani 0.60(3) 1 d D . P A 5
C91' C -0.2214(17) 0.4715(9) 0.8854(7) 0.049(4) Uani 0.60(3) 1 d D . P A 5
H91D H -0.1513 0.4890 0.9052 0.074 Uiso 0.60(3) 1 calc R U P A 5
H91E H -0.2462 0.4358 0.9027 0.074 Uiso 0.60(3) 1 calc R U P A 5
H91F H -0.2663 0.5036 0.8867 0.074 Uiso 0.60(3) 1 calc R U P A 5
C10' C -0.3358(12) 0.4314(12) 0.7919(10) 0.060(5) Uani 0.60(3) 1 d D . P A 5
H10K H -0.3715 0.4680 0.7928 0.091 Uiso 0.60(3) 1 calc R U P A 5
H10L H -0.3702 0.3984 0.8087 0.091 Uiso 0.60(3) 1 calc R U P A 5
H10M H -0.3372 0.4162 0.7537 0.091 Uiso 0.60(3) 1 calc R U P A 5
C11' C -0.1780(4) 0.5079(2) 0.8026(2) 0.0382(14) Uani 0.60(3) 1 d D . P A 5
H11Y H -0.1036 0.5166 0.8171 0.057 Uiso 0.60(3) 1 calc R U P A 5
H11Z H -0.2094 0.5438 0.8142 0.057 Uiso 0.60(3) 1 calc R U P A 5
H11' H -0.1929 0.5008 0.7624 0.057 Uiso 0.60(3) 1 calc R U P A 5
C12 C -0.0177(3) 0.2413(2) 0.90214(18) 0.0247(11) Uani 1 1 d . . . . .
C22 C 0.0345(4) 0.2743(2) 0.95281(19) 0.0268(12) Uani 1 1 d . . . . .
C32 C 0.0914(4) 0.2422(3) 0.9913(2) 0.0314(12) Uani 1 1 d . . . . .
H32A H 0.1263 0.2641 1.0261 0.038 Uiso 1 1 calc R U . . .
C42 C 0.0986(4) 0.1801(3) 0.9805(2) 0.0364(13) Uani 1 1 d . . . . .
H42A H 0.1350 0.1587 1.0080 0.044 Uiso 1 1 calc R U . . .
C52 C 0.0527(4) 0.1494(2) 0.9298(2) 0.0342(13) Uani 1 1 d . . . . .
H52A H 0.0598 0.1068 0.9219 0.041 Uiso 1 1 calc R U . . .
C62 C -0.0049(3) 0.1791(2) 0.88890(19) 0.0262(11) Uani 1 1 d . . . . .
C72 C 0.0337(4) 0.3441(2) 0.9662(2) 0.0310(12) Uani 1 1 d . . . . .
H72A H 0.0032 0.3603 0.9312 0.037 Uiso 1 1 calc R U . . .
C82 C 0.1432(4) 0.3795(3) 0.9872(3) 0.0519(16) Uani 1 1 d . . . . .
H82A H 0.1409 0.4246 0.9916 0.078 Uiso 1 1 calc R U . . .
H82B H 0.1847 0.3699 0.9606 0.078 Uiso 1 1 calc R U . . .
H82C H 0.1739 0.3665 1.0227 0.078 Uiso 1 1 calc R U . . .
C92 C -0.0312(5) 0.3587(3) 1.0071(3) 0.0535(17) Uani 1 1 d . . . . .
H92A H -0.1034 0.3424 0.9906 0.080 Uiso 1 1 calc R U . . .
H92B H -0.0236 0.4040 1.0168 0.080 Uiso 1 1 calc R U . . .
H92C H -0.0085 0.3389 1.0403 0.080 Uiso 1 1 calc R U . . .
C102 C -0.0510(4) 0.1421(2) 0.8330(2) 0.0311(12) Uani 1 1 d . . . . .
H10D H -0.0889 0.1699 0.8089 0.037 Uiso 1 1 calc R U . . .
C112 C 0.0321(4) 0.1202(2) 0.8057(2) 0.0360(13) Uani 1 1 d . . . . .
H11D H 0.0755 0.1566 0.7983 0.054 Uiso 1 1 calc R U . . .
H11E H -0.0004 0.0938 0.7711 0.054 Uiso 1 1 calc R U . . .
H11F H 0.0743 0.0961 0.8303 0.054 Uiso 1 1 calc R U . . .
C122 C -0.1274(4) 0.0851(2) 0.8375(2) 0.0466(15) Uani 1 1 d . . . . .
H12A H -0.1809 0.0990 0.8548 0.070 Uiso 1 1 calc R U . . .
H12B H -0.0912 0.0565 0.8599 0.070 Uiso 1 1 calc R U . . .
H12C H -0.1590 0.0634 0.8006 0.070 Uiso 1 1 calc R U . . .
C13 C -0.0394(4) 0.4298(2) 0.77272(19) 0.0251(11) Uani 1 1 d . . . . .
C23 C -0.0792(4) 0.4271(2) 0.7162(2) 0.0330(13) Uani 1 1 d . . . A .
C33 C -0.0356(5) 0.4722(3) 0.6893(2) 0.0428(15) Uani 1 1 d . . . . .
H33A H -0.0631 0.4727 0.6512 0.051 Uiso 1 1 calc R U . A .
C43 C 0.0466(5) 0.5167(2) 0.7158(3) 0.0420(15) Uani 1 1 d . . . A .
H43A H 0.0739 0.5478 0.6964 0.050 Uiso 1 1 calc R U . . .
C53 C 0.0876(4) 0.5151(2) 0.7699(2) 0.0376(14) Uani 1 1 d . . . . .
H53A H 0.1455 0.5449 0.7877 0.045 Uiso 1 1 calc R U . A .
C63 C 0.0482(4) 0.4717(2) 0.8000(2) 0.0277(12) Uani 1 1 d . . . A .
C73 C -0.1636(4) 0.3758(2) 0.6847(2) 0.0375(14) Uani 1 1 d . . . . .
H73A H -0.1841 0.3476 0.7112 0.045 Uiso 1 1 calc R U . A .
C83 C -0.1225(5) 0.3375(3) 0.6421(2) 0.0598(18) Uani 1 1 d . . . A .
H83A H -0.0707 0.3141 0.6610 0.090 Uiso 1 1 calc R U . . .
H83B H -0.0915 0.3657 0.6198 0.090 Uiso 1 1 calc R U . . .
H83C H -0.1791 0.3082 0.6183 0.090 Uiso 1 1 calc R U . . .
C93 C -0.2578(5) 0.4015(3) 0.6557(3) 0.098(3) Uani 1 1 d . . . A .
H93A H -0.2376 0.4322 0.6322 0.147 Uiso 1 1 calc R U . . .
H93B H -0.2894 0.4216 0.6831 0.147 Uiso 1 1 calc R U . . .
H93C H -0.3073 0.3672 0.6331 0.147 Uiso 1 1 calc R U . . .
C103 C 0.0996(4) 0.4690(2) 0.8595(2) 0.0357(13) Uani 1 1 d . . . . .
H10E H 0.0532 0.4405 0.8758 0.043 Uiso 1 1 calc R U . A .
C113 C 0.1987(4) 0.4418(3) 0.8610(2) 0.0497(16) Uani 1 1 d . . . A .
H11G H 0.1826 0.3981 0.8442 0.075 Uiso 1 1 calc R U . . .
H11H H 0.2365 0.4437 0.8992 0.075 Uiso 1 1 calc R U . . .
H11I H 0.2409 0.4659 0.8405 0.075 Uiso 1 1 calc R U . . .
C123 C 0.1246(5) 0.5326(3) 0.8946(2) 0.0510(16) Uani 1 1 d . . . A .
H12D H 0.0613 0.5509 0.8936 0.077 Uiso 1 1 calc R U . . .
H12E H 0.1727 0.5605 0.8802 0.077 Uiso 1 1 calc R U . . .
H12F H 0.1557 0.5274 0.9327 0.077 Uiso 1 1 calc R U . . .
N14 N 0.2431(3) 0.24297(17) 0.72046(15) 0.0243(9) Uani 1 1 d . . . . .
N24 N 0.0474(3) 0.17928(17) 0.65142(16) 0.0257(9) Uani 1 1 d . . . . .
C14 C 0.0659(4) 0.0704(2) 0.60810(19) 0.0301(12) Uani 1 1 d . . . . .
C24 C 0.1088(4) 0.1369(2) 0.63994(19) 0.0248(11) Uani 1 1 d . . . . .
C34 C 0.2141(4) 0.1475(2) 0.66133(19) 0.0257(11) Uani 1 1 d . . . . .
H34A H 0.2479 0.1131 0.6532 0.031 Uiso 1 1 calc R U . . .
C44 C 0.2809(4) 0.1999(2) 0.6931(2) 0.0272(12) Uani 1 1 d . . . . .
C54 C 0.3954(4) 0.1997(2) 0.6911(2) 0.0295(12) Uani 1 1 d . . . . .
C64 C 0.0435(4) 0.0307(2) 0.6536(2) 0.0363(13) Uani 1 1 d . . . . .
H64A H 0.0140 -0.0120 0.6371 0.054 Uiso 1 1 calc R U . . .
H64B H -0.0051 0.0491 0.6719 0.054 Uiso 1 1 calc R U . . .
H64C H 0.1076 0.0299 0.6805 0.054 Uiso 1 1 calc R U . . .
C74 C -0.0328(4) 0.0626(2) 0.5628(2) 0.0358(13) Uani 1 1 d . . . . .
H74A H -0.0232 0.0906 0.5352 0.054 Uiso 1 1 calc R U . . .
H74B H -0.0897 0.0729 0.5790 0.054 Uiso 1 1 calc R U . . .
H74C H -0.0484 0.0192 0.5453 0.054 Uiso 1 1 calc R U . . .
C84 C 0.1445(4) 0.0414(3) 0.5813(2) 0.0408(14) Uani 1 1 d . . . . .
H84A H 0.1724 0.0710 0.5590 0.061 Uiso 1 1 calc R U . . .
H84B H 0.1108 0.0028 0.5578 0.061 Uiso 1 1 calc R U . . .
H84C H 0.2003 0.0320 0.6100 0.061 Uiso 1 1 calc R U . . .
C94 C 0.4025(5) 0.1962(3) 0.6306(2) 0.063(2) Uani 1 1 d . . . . .
H94A H 0.3668 0.1558 0.6110 0.095 Uiso 1 1 calc R U . . .
H94B H 0.4748 0.2006 0.6285 0.095 Uiso 1 1 calc R U . . .
H94C H 0.3706 0.2300 0.6136 0.095 Uiso 1 1 calc R U . . .
C104 C 0.4304(4) 0.1420(3) 0.7151(3) 0.069(2) Uani 1 1 d . . . . .
H10F H 0.4248 0.1440 0.7535 0.103 Uiso 1 1 calc R U . . .
H10G H 0.5020 0.1405 0.7132 0.103 Uiso 1 1 calc R U . . .
H10H H 0.3870 0.1045 0.6940 0.103 Uiso 1 1 calc R U . . .
C114 C 0.4757(4) 0.2555(2) 0.7209(2) 0.0364(13) Uani 1 1 d . . . . .
H11J H 0.4766 0.2597 0.7603 0.055 Uiso 1 1 calc R U . . .
H11K H 0.4581 0.2939 0.7058 0.055 Uiso 1 1 calc R U . . .
H11L H 0.5437 0.2486 0.7156 0.055 Uiso 1 1 calc R U . . .
C15 C -0.0447(4) 0.1866(2) 0.61257(19) 0.0266(12) Uani 1 1 d . . . . .
C25 C -0.0339(4) 0.2143(2) 0.5655(2) 0.0284(12) Uani 1 1 d . . . . .
C35 C -0.1229(4) 0.2193(2) 0.5268(2) 0.0369(13) Uani 1 1 d . . . . .
H35A H -0.1166 0.2367 0.4940 0.044 Uiso 1 1 calc R U . . .
C45 C -0.2186(4) 0.2002(2) 0.5344(2) 0.0362(13) Uani 1 1 d . . . . .
H45A H -0.2778 0.2028 0.5067 0.043 Uiso 1 1 calc R U . . .
C55 C -0.2283(4) 0.1771(2) 0.5831(2) 0.0322(13) Uani 1 1 d . . . . .
H55A H -0.2949 0.1658 0.5894 0.039 Uiso 1 1 calc R U . . .
C65 C -0.1430(4) 0.1700(2) 0.6228(2) 0.0284(12) Uani 1 1 d . . . . .
C75 C 0.0694(4) 0.2413(3) 0.5564(2) 0.0416(14) Uani 1 1 d . . . . .
H75A H 0.1204 0.2439 0.5921 0.050 Uiso 1 1 calc R U . . .
C85 C 0.0706(5) 0.3075(3) 0.5401(3) 0.067(2) Uani 1 1 d . . . . .
H85A H 0.1414 0.3261 0.5416 0.101 Uiso 1 1 calc R U . . .
H85B H 0.0417 0.3331 0.5656 0.101 Uiso 1 1 calc R U . . .
H85C H 0.0293 0.3059 0.5026 0.101 Uiso 1 1 calc R U . . .
C95 C 0.1063(5) 0.2006(3) 0.5141(2) 0.0533(17) Uani 1 1 d . . . . .
H95A H 0.0585 0.1975 0.4782 0.080 Uiso 1 1 calc R U . . .
H95B H 0.1093 0.1587 0.5254 0.080 Uiso 1 1 calc R U . . .
H95C H 0.1748 0.2193 0.5113 0.080 Uiso 1 1 calc R U . . .
C105 C -0.1605(4) 0.1444(2) 0.6748(2) 0.0322(13) Uani 1 1 d . . . . .
H10I H -0.0921 0.1427 0.6993 0.039 Uiso 1 1 calc R U . . .
C115 C -0.2185(4) 0.1870(3) 0.7055(2) 0.0499(16) Uani 1 1 d . . . . .
H11M H -0.1740 0.2267 0.7204 0.075 Uiso 1 1 calc R U . . .
H11N H -0.2383 0.1664 0.7357 0.075 Uiso 1 1 calc R U . . .
H11O H -0.2802 0.1950 0.6800 0.075 Uiso 1 1 calc R U . . .
C125 C -0.2218(4) 0.0775(3) 0.6622(2) 0.0456(15) Uani 1 1 d . . . . .
H12G H -0.1859 0.0503 0.6419 0.068 Uiso 1 1 calc R U . . .
H12H H -0.2905 0.0787 0.6399 0.068 Uiso 1 1 calc R U . . .
H12I H -0.2277 0.0611 0.6967 0.068 Uiso 1 1 calc R U . . .
C16 C 0.3041(4) 0.2963(3) 0.7561(2) 0.0322(13) Uani 1 1 d . . . . .
C26 C 0.3378(4) 0.2889(3) 0.8116(2) 0.0428(15) Uani 1 1 d . . . . .
C36 C 0.3976(4) 0.3427(4) 0.8463(3) 0.063(2) Uani 1 1 d . . . . .
H36A H 0.4234 0.3400 0.8842 0.075 Uiso 1 1 calc R U . . .
C46 C 0.4178(5) 0.3972(4) 0.8255(4) 0.072(2) Uani 1 1 d . . . . .
H46A H 0.4603 0.4316 0.8489 0.087 Uiso 1 1 calc R U . . .
C56 C 0.3782(4) 0.4038(3) 0.7717(3) 0.0559(18) Uani 1 1 d . . . . .
H56A H 0.3909 0.4430 0.7585 0.067 Uiso 1 1 calc R U . . .
C66 C 0.3201(4) 0.3537(3) 0.7368(3) 0.0432(15) Uani 1 1 d . . . . .
C76 C 0.3121(4) 0.2297(3) 0.8362(2) 0.0550(19) Uani 1 1 d . . . . .
H76A H 0.2728 0.1973 0.8057 0.066 Uiso 1 1 calc R U . . .
C86 C 0.2405(5) 0.2439(4) 0.8753(3) 0.089(3) Uani 1 1 d . . . . .
H86A H 0.1783 0.2572 0.8544 0.134 Uiso 1 1 calc R U . . .
H86B H 0.2762 0.2773 0.9044 0.134 Uiso 1 1 calc R U . . .
H86C H 0.2217 0.2061 0.8918 0.134 Uiso 1 1 calc R U . . .
C96 C 0.4051(5) 0.2038(4) 0.8660(3) 0.078(2) Uani 1 1 d . . . . .
H96A H 0.4462 0.1921 0.8398 0.118 Uiso 1 1 calc R U . . .
H96B H 0.3825 0.1669 0.8825 0.118 Uiso 1 1 calc R U . . .
H96C H 0.4468 0.2357 0.8949 0.118 Uiso 1 1 calc R U . . .
C106 C 0.2732(4) 0.3626(3) 0.6784(3) 0.0468(16) Uani 1 1 d . . . . .
H10J H 0.2443 0.3204 0.6577 0.056 Uiso 1 1 calc R U . . .
C116 C 0.1844(4) 0.3999(3) 0.6790(3) 0.0566(18) Uani 1 1 d . . . . .
H11P H 0.1320 0.3762 0.6939 0.085 Uiso 1 1 calc R U . . .
H11Q H 0.1545 0.4075 0.6414 0.085 Uiso 1 1 calc R U . . .
H11R H 0.2099 0.4400 0.7021 0.085 Uiso 1 1 calc R U . . .
C126 C 0.3503(5) 0.3949(3) 0.6477(3) 0.073(2) Uani 1 1 d . . . . .
H12J H 0.3777 0.4371 0.6664 0.109 Uiso 1 1 calc R U . . .
H12K H 0.3151 0.3974 0.6097 0.109 Uiso 1 1 calc R U . . .
H12L H 0.4068 0.3704 0.6477 0.109 Uiso 1 1 calc R U . . .
Co3 Co 0.44759(5) 0.80441(3) 0.77973(3) 0.02637(18) Uani 1 1 d . . . . .
Co4 Co 0.58048(5) 0.73755(3) 0.69509(3) 0.02492(17) Uani 1 1 d . . . . .
O2 O 0.5222(3) 0.78019(18) 0.73698(16) 0.0518(11) Uani 1 1 d . . . . .
N211 N 0.4047(3) 0.78032(18) 0.84407(15) 0.0238(9) Uani 1 1 d . . . . .
N221 N 0.3792(3) 0.87810(18) 0.77092(15) 0.0244(9) Uani 1 1 d . . . . .
C211 C 0.2422(4) 0.7525(2) 0.88069(19) 0.0274(12) Uani 1 1 d . . . . .
C221 C 0.3117(4) 0.7939(2) 0.85138(18) 0.0253(11) Uani 1 1 d . . . . .
C231 C 0.2675(4) 0.8408(2) 0.82594(19) 0.0298(12) Uani 1 1 d . . . . .
H23B H 0.1991 0.8423 0.8296 0.036 Uiso 1 1 calc R U . . .
C241 C 0.3035(4) 0.8872(2) 0.79545(19) 0.0252(11) Uani 1 1 d . . . . .
C251 C 0.2471(4) 0.9451(2) 0.7952(2) 0.0354(13) Uani 1 1 d . . . . .
C261 C 0.2963(4) 0.7191(3) 0.9274(2) 0.0413(14) Uani 1 1 d . . . . .
H26A H 0.3356 0.6893 0.9126 0.062 Uiso 1 1 calc R U . . .
H26B H 0.2450 0.6967 0.9439 0.062 Uiso 1 1 calc R U . . .
H26C H 0.3429 0.7499 0.9554 0.062 Uiso 1 1 calc R U . . .
C271 C 0.1767(4) 0.7025(2) 0.8359(2) 0.0376(14) Uani 1 1 d . . . . .
H27F H 0.1373 0.7228 0.8067 0.056 Uiso 1 1 calc R U . . .
H27G H 0.1294 0.6758 0.8518 0.056 Uiso 1 1 calc R U . . .
H27H H 0.2214 0.6771 0.8204 0.056 Uiso 1 1 calc R U . . .
C281 C 0.1704(4) 0.7909(3) 0.9054(2) 0.0433(15) Uani 1 1 d . . . . .
H28A H 0.1236 0.8064 0.8758 0.065 Uiso 1 1 calc R U . . .
H28B H 0.2115 0.8264 0.9307 0.065 Uiso 1 1 calc R U . . .
H28C H 0.1306 0.7644 0.9254 0.065 Uiso 1 1 calc R U . . .
C291 C 0.2567(7) 0.9714(3) 0.8560(3) 0.079(2) Uani 1 1 d . . . . .
H29M H 0.2281 1.0107 0.8573 0.118 Uiso 1 1 calc R U . . .
H29N H 0.3293 0.9791 0.8751 0.118 Uiso 1 1 calc R U . . .
H29O H 0.2190 0.9411 0.8739 0.118 Uiso 1 1 calc R U . . .
C301 C 0.1336(4) 0.9242(3) 0.7658(3) 0.074(2) Uani 1 1 d . . . . .
H30H H 0.1028 0.8924 0.7852 0.112 Uiso 1 1 calc R U . . .
H30I H 0.1294 0.9066 0.7279 0.112 Uiso 1 1 calc R U . . .
H30J H 0.0965 0.9603 0.7657 0.112 Uiso 1 1 calc R U . . .
C311 C 0.2845(4) 1.0010(2) 0.7683(2) 0.0341(13) Uani 1 1 d . . . . .
H31E H 0.3574 1.0152 0.7847 0.051 Uiso 1 1 calc R U . . .
H31F H 0.2450 1.0349 0.7742 0.051 Uiso 1 1 calc R U . . .
H31G H 0.2752 0.9887 0.7288 0.051 Uiso 1 1 calc R U . . .
C212 C 0.4772(4) 0.7580(2) 0.88683(19) 0.0258(11) Uani 1 1 d . . . . .
C222 C 0.5256(4) 0.8002(2) 0.9336(2) 0.0350(13) Uani 1 1 d . . . . .
C232 C 0.5968(4) 0.7795(3) 0.9748(2) 0.0431(15) Uani 1 1 d . . . . .
H23D H 0.6294 0.8073 1.0069 0.052 Uiso 1 1 calc R U . . .
C242 C 0.6207(4) 0.7197(3) 0.9698(2) 0.0429(15) Uani 1 1 d . . . . .
H24B H 0.6686 0.7062 0.9983 0.051 Uiso 1 1 calc R U . . .
C252 C 0.5739(4) 0.6798(3) 0.9229(2) 0.0404(14) Uani 1 1 d . . . . .
H25C H 0.5910 0.6387 0.9192 0.048 Uiso 1 1 calc R U . . .
C262 C 0.5030(4) 0.6976(2) 0.88091(19) 0.0301(12) Uani 1 1 d . . . . .
C272 C 0.5082(4) 0.8684(3) 0.9404(2) 0.0480(16) Uani 1 1 d . . . . .
H27J H 0.4680 0.8774 0.9043 0.058 Uiso 1 1 calc R U . . .
C282 C 0.6073(5) 0.9135(3) 0.9547(3) 0.071(2) Uani 1 1 d . . . . .
H28P H 0.6470 0.9061 0.9267 0.107 Uiso 1 1 calc R U . . .
H28Q H 0.6473 0.9071 0.9907 0.107 Uiso 1 1 calc R U . . .
H28R H 0.5919 0.9564 0.9558 0.107 Uiso 1 1 calc R U . . .
C292 C 0.4461(5) 0.8815(3) 0.9834(3) 0.0627(19) Uani 1 1 d . . . . .
H29G H 0.4367 0.9256 0.9860 0.094 Uiso 1 1 calc R U . . .
H29H H 0.4829 0.8722 1.0192 0.094 Uiso 1 1 calc R U . . .
H29I H 0.3790 0.8552 0.9727 0.094 Uiso 1 1 calc R U . . .
C302 C 0.4571(4) 0.6498(2) 0.8308(2) 0.0322(13) Uani 1 1 d . . . . .
H30B H 0.4063 0.6691 0.8049 0.039 Uiso 1 1 calc R U . . .
C312 C 0.5395(4) 0.6327(3) 0.8010(2) 0.0439(15) Uani 1 1 d . . . . .
H31K H 0.5662 0.6692 0.7852 0.066 Uiso 1 1 calc R U . . .
H31L H 0.5096 0.5985 0.7715 0.066 Uiso 1 1 calc R U . . .
H31M H 0.5956 0.6195 0.8271 0.066 Uiso 1 1 calc R U . . .
C322 C 0.4003(4) 0.5908(2) 0.8461(2) 0.0437(15) Uani 1 1 d . . . . .
H32B H 0.3455 0.6020 0.8636 0.066 Uiso 1 1 calc R U . . .
H32C H 0.4485 0.5710 0.8717 0.066 Uiso 1 1 calc R U . . .
H32D H 0.3705 0.5615 0.8128 0.066 Uiso 1 1 calc R U . . .
C213 C 0.4170(4) 0.9199(2) 0.7348(2) 0.0336(13) Uani 1 1 d . . . . .
C223 C 0.3700(5) 0.9111(3) 0.6792(2) 0.0448(16) Uani 1 1 d . . . . .
C233 C 0.4087(7) 0.9517(3) 0.6449(3) 0.069(2) Uani 1 1 d . . . . .
H23F H 0.3770 0.9484 0.6069 0.083 Uiso 1 1 calc R U . . .
C243 C 0.4944(7) 0.9967(4) 0.6678(4) 0.083(3) Uani 1 1 d . . . . .
H24D H 0.5206 1.0239 0.6449 0.099 Uiso 1 1 calc R U . . .
C253 C 0.5411(5) 1.0026(3) 0.7221(4) 0.063(2) Uani 1 1 d . . . . .
H25D H 0.5992 1.0336 0.7363 0.076 Uiso 1 1 calc R U . . .
C263 C 0.5052(4) 0.9640(2) 0.7569(3) 0.0406(15) Uani 1 1 d . . . . .
C273 C 0.2870(5) 0.8593(3) 0.6530(2) 0.0548(18) Uani 1 1 d . . . . .
H27I H 0.2643 0.8377 0.6829 0.066 Uiso 1 1 calc R U . . .
C283 C 0.3286(6) 0.8118(3) 0.6179(3) 0.079(3) Uani 1 1 d . . . . .
H28J H 0.3847 0.7953 0.6411 0.119 Uiso 1 1 calc R U . . .
H28K H 0.3542 0.8323 0.5891 0.119 Uiso 1 1 calc R U . . .
H28L H 0.2736 0.7775 0.6008 0.119 Uiso 1 1 calc R U . . .
C293 C 0.1932(6) 0.8815(3) 0.6185(3) 0.085(3) Uani 1 1 d . . . . .
H29P H 0.1661 0.9109 0.6419 0.128 Uiso 1 1 calc R U . . .
H29Q H 0.1402 0.8455 0.6031 0.128 Uiso 1 1 calc R U . . .
H29R H 0.2132 0.9025 0.5886 0.128 Uiso 1 1 calc R U . . .
C303 C 0.5620(4) 0.9693(2) 0.8156(3) 0.0488(17) Uani 1 1 d . . . . .
H30C H 0.5199 0.9426 0.8355 0.059 Uiso 1 1 calc R U . . .
C313 C 0.6634(5) 0.9438(3) 0.8179(3) 0.074(2) Uani 1 1 d . . . . .
H31Q H 0.7030 0.9494 0.8560 0.110 Uiso 1 1 calc R U . . .
H31R H 0.7028 0.9664 0.7952 0.110 Uiso 1 1 calc R U . . .
H31S H 0.6493 0.8992 0.8040 0.110 Uiso 1 1 calc R U . . .
C323 C 0.5829(5) 1.0370(3) 0.8454(3) 0.078(2) Uani 1 1 d . . . . .
H32K H 0.6127 1.0654 0.8229 0.117 Uiso 1 1 calc R U . . .
H32L H 0.6308 1.0386 0.8810 0.117 Uiso 1 1 calc R U . . .
H32M H 0.5182 1.0496 0.8512 0.117 Uiso 1 1 calc R U . . .
N214 N 0.5361(3) 0.66794(17) 0.63834(15) 0.0244(9) Uani 1 1 d . . . . .
N224 N 0.7272(3) 0.74816(17) 0.69790(15) 0.0235(9) Uani 1 1 d . . . . .
C214 C 0.5719(4) 0.5564(2) 0.61054(19) 0.0278(12) Uani 1 1 d . . . . .
C224 C 0.6035(4) 0.6276(2) 0.63304(18) 0.0244(11) Uani 1 1 d . . . . .
C234 C 0.7084(4) 0.6450(2) 0.65413(19) 0.0278(12) Uani 1 1 d . . . . .
H23A H 0.7465 0.6112 0.6521 0.033 Uiso 1 1 calc R U . . .
C244 C 0.7703(4) 0.7021(2) 0.67787(18) 0.0236(11) Uani 1 1 d . . . . .
C254 C 0.8848(4) 0.7031(2) 0.6758(2) 0.0327(13) Uani 1 1 d . . . . .
C264 C 0.4631(4) 0.5357(2) 0.5733(2) 0.0362(14) Uani 1 1 d . . . . .
H26D H 0.4116 0.5483 0.5928 0.054 Uiso 1 1 calc R U . . .
H26E H 0.4513 0.4902 0.5641 0.054 Uiso 1 1 calc R U . . .
H26F H 0.4574 0.5557 0.5395 0.054 Uiso 1 1 calc R U . . .
C274 C 0.5771(4) 0.5232(2) 0.6625(2) 0.0352(13) Uani 1 1 d . . . . .
H27B H 0.5279 0.5376 0.6828 0.053 Uiso 1 1 calc R U . . .
H27C H 0.6466 0.5330 0.6858 0.053 Uiso 1 1 calc R U . . .
H27D H 0.5602 0.4780 0.6520 0.053 Uiso 1 1 calc R U . . .
C284 C 0.6469(4) 0.5324(3) 0.5777(2) 0.0432(14) Uani 1 1 d . . . . .
H28D H 0.7148 0.5350 0.6022 0.065 Uiso 1 1 calc R U . . .
H28E H 0.6519 0.5581 0.5480 0.065 Uiso 1 1 calc R U . . .
H28F H 0.6217 0.4889 0.5621 0.065 Uiso 1 1 calc R U . . .
C294 C 0.8902(5) 0.6934(3) 0.6152(2) 0.0544(17) Uani 1 1 d . . . . .
H29D H 0.9622 0.6986 0.6125 0.082 Uiso 1 1 calc R U . . .
H29E H 0.8550 0.7242 0.5953 0.082 Uiso 1 1 calc R U . . .
H29F H 0.8569 0.6512 0.5991 0.082 Uiso 1 1 calc R U . . .
C304 C 0.9270(4) 0.6502(3) 0.7056(3) 0.0536(17) Uani 1 1 d . . . . .
H30E H 0.8924 0.6098 0.6853 0.080 Uiso 1 1 calc R U . . .
H30F H 0.9146 0.6534 0.7428 0.080 Uiso 1 1 calc R U . . .
H30G H 1.0009 0.6534 0.7077 0.080 Uiso 1 1 calc R U . . .
C314 C 0.9604(4) 0.7627(2) 0.7013(2) 0.0341(13) Uani 1 1 d . . . . .
H31B H 1.0300 0.7562 0.6989 0.051 Uiso 1 1 calc R U . . .
H31C H 0.9580 0.7722 0.7400 0.051 Uiso 1 1 calc R U . . .
H31D H 0.9412 0.7977 0.6813 0.051 Uiso 1 1 calc R U . . .
C215 C 0.4381(4) 0.6630(2) 0.59899(19) 0.0258(11) Uani 1 1 d . . . . .
C225 C 0.4399(4) 0.6757(2) 0.54512(19) 0.0260(12) Uani 1 1 d . . . . .
C235 C 0.3469(4) 0.6679(2) 0.5068(2) 0.0352(13) Uani 1 1 d . . . . .
H23E H 0.3461 0.6753 0.4699 0.042 Uiso 1 1 calc R U . . .
C245 C 0.2548(4) 0.6495(2) 0.5215(2) 0.0385(14) Uani 1 1 d . . . . .
H24A H 0.1923 0.6419 0.4943 0.046 Uiso 1 1 calc R U . . .
C255 C 0.2542(4) 0.6421(2) 0.5755(2) 0.0318(12) Uani 1 1 d . . . . .
H25A H 0.1909 0.6315 0.5858 0.038 Uiso 1 1 calc R U . . .
C265 C 0.3457(4) 0.6502(2) 0.61492(19) 0.0262(11) Uani 1 1 d . . . . .
C275 C 0.5373(4) 0.7011(2) 0.5276(2) 0.0333(13) Uani 1 1 d . . . . .
H27A H 0.5965 0.7019 0.5596 0.040 Uiso 1 1 calc R U . . .
C285 C 0.5340(5) 0.7677(3) 0.5145(3) 0.0569(17) Uani 1 1 d . . . . .
H28G H 0.5230 0.7935 0.5463 0.085 Uiso 1 1 calc R U . . .
H28H H 0.4777 0.7683 0.4827 0.085 Uiso 1 1 calc R U . . .
H28I H 0.5992 0.7844 0.5061 0.085 Uiso 1 1 calc R U . . .
C295 C 0.5574(5) 0.6618(3) 0.4803(3) 0.0584(18) Uani 1 1 d . . . . .
H29J H 0.5554 0.6184 0.4882 0.088 Uiso 1 1 calc R U . . .
H29K H 0.6251 0.6773 0.4743 0.088 Uiso 1 1 calc R U . . .
H29L H 0.5047 0.6640 0.4472 0.088 Uiso 1 1 calc R U . . .
C305 C 0.3392(4) 0.6410(2) 0.6743(2) 0.0331(13) Uani 1 1 d . . . . .
H30D H 0.4094 0.6534 0.6985 0.040 Uiso 1 1 calc R U . . .
C315 C 0.2670(4) 0.6829(3) 0.6944(2) 0.0451(15) Uani 1 1 d . . . . .
H31N H 0.2923 0.7268 0.6927 0.068 Uiso 1 1 calc R U . . .
H31O H 0.2648 0.6769 0.7325 0.068 Uiso 1 1 calc R U . . .
H31P H 0.1978 0.6717 0.6709 0.068 Uiso 1 1 calc R U . . .
C325 C 0.3028(4) 0.5734(3) 0.6802(2) 0.0494(16) Uani 1 1 d . . . . .
H32E H 0.3541 0.5474 0.6730 0.074 Uiso 1 1 calc R U . . .
H32F H 0.2375 0.5588 0.6538 0.074 Uiso 1 1 calc R U . . .
H32G H 0.2933 0.5705 0.7176 0.074 Uiso 1 1 calc R U . . .
C216 C 0.7830(3) 0.8068(2) 0.72649(19) 0.0226(11) Uani 1 1 d . . . . .
C226 C 0.8204(3) 0.8115(2) 0.7831(2) 0.0299(12) Uani 1 1 d . . . . .
C236 C 0.8769(4) 0.8684(3) 0.8101(2) 0.0439(15) Uani 1 1 d . . . . .
H23C H 0.9057 0.8717 0.8485 0.053 Uiso 1 1 calc R U . . .
C246 C 0.8917(4) 0.9185(3) 0.7833(3) 0.0446(16) Uani 1 1 d . . . . .
H24C H 0.9320 0.9562 0.8024 0.054 Uiso 1 1 calc R U . . .
C256 C 0.8478(4) 0.9146(2) 0.7277(3) 0.0422(15) Uani 1 1 d . . . . .
H25B H 0.8556 0.9507 0.7093 0.051 Uiso 1 1 calc R U . . .
C266 C 0.7923(4) 0.8592(2) 0.6981(2) 0.0344(13) Uani 1 1 d . . . . .
C276 C 0.7999(4) 0.7597(3) 0.8168(2) 0.0406(14) Uani 1 1 d . . . . .
H27E H 0.7568 0.7239 0.7910 0.049 Uiso 1 1 calc R U . . .
C286 C 0.7382(5) 0.7788(3) 0.8581(2) 0.0608(18) Uani 1 1 d . . . . .
H28M H 0.6761 0.7936 0.8390 0.091 Uiso 1 1 calc R U . . .
H28N H 0.7798 0.8123 0.8855 0.091 Uiso 1 1 calc R U . . .
H28O H 0.7190 0.7427 0.8765 0.091 Uiso 1 1 calc R U . . .
C296 C 0.8962(5) 0.7356(4) 0.8469(3) 0.070(2) Uani 1 1 d . . . . .
H29A H 0.8759 0.6989 0.8644 0.105 Uiso 1 1 calc R U . . .
H29B H 0.9374 0.7684 0.8751 0.105 Uiso 1 1 calc R U . . .
H29C H 0.9369 0.7239 0.8205 0.105 Uiso 1 1 calc R U . . .
C306 C 0.7408(4) 0.8566(2) 0.6382(2) 0.0314(12) Uani 1 1 d . . . . .
H30A H 0.7148 0.8119 0.6232 0.038 Uiso 1 1 calc R U . . .
C316 C 0.6502(4) 0.8923(3) 0.6331(2) 0.0452(15) Uani 1 1 d . . . . .
H31H H 0.6142 0.8887 0.5944 0.068 Uiso 1 1 calc R U . . .
H31I H 0.6746 0.9364 0.6469 0.068 Uiso 1 1 calc R U . . .
H31J H 0.6031 0.8749 0.6547 0.068 Uiso 1 1 calc R U . . .
C326 C 0.8144(5) 0.8835(3) 0.6041(3) 0.0541(17) Uani 1 1 d . . . . .
H32H H 0.8762 0.8632 0.6105 0.081 Uiso 1 1 calc R U . . .
H32I H 0.8334 0.9286 0.6151 0.081 Uiso 1 1 calc R U . . .
H32J H 0.7804 0.8758 0.5650 0.081 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 1.704(4) . ?
Co1 N24 1.913(4) . ?
Co1 N14 1.950(4) . ?
Co2 O1 1.699(4) . ?
Co2 N11 1.919(4) . ?
Co2 N21 1.949(4) . ?
N11 C21 1.368(6) . ?
N11 C12 1.441(6) . ?
N21 C41 1.339(6) . ?
N21 C13 1.448(6) . ?
C11 C61 1.535(7) . ?
C11 C81 1.535(7) . ?
C11 C71 1.542(7) . ?
C11 C21 1.554(6) . ?
C21 C31 1.377(6) . ?
C31 C41 1.424(7) . ?
C31 H31A 0.9500 . ?
C41 C51 1.553(9) . ?
C41 C51' 1.554(8) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C51 C111 1.524(14) . ?
C51 C91 1.543(15) . ?
C51 C101 1.563(15) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C51' C91' 1.547(11) . ?
C51' C10' 1.566(11) . ?
C91' H91D 0.9800 . ?
C91' H91E 0.9800 . ?
C91' H91F 0.9800 . ?
C10' H10K 0.9800 . ?
C10' H10L 0.9800 . ?
C10' H10M 0.9800 . ?
C12 C22 1.398(6) . ?
C12 C62 1.401(7) . ?
C22 C32 1.394(7) . ?
C22 C72 1.525(7) . ?
C32 C42 1.371(7) . ?
C32 H32A 0.9500 . ?
C42 C52 1.360(7) . ?
C42 H42A 0.9500 . ?
C52 C62 1.406(7) . ?
C52 H52A 0.9500 . ?
C62 C102 1.516(7) . ?
C72 C92 1.518(7) . ?
C72 C82 1.537(7) . ?
C72 H72A 1.0000 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C102 C112 1.531(7) . ?
C102 C122 1.538(7) . ?
C102 H10D 1.0000 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C122 H12A 0.9800 . ?
C122 H12B 0.9800 . ?
C122 H12C 0.9800 . ?
C13 C23 1.397(7) . ?
C13 C63 1.403(7) . ?
C23 C33 1.380(7) . ?
C23 C73 1.518(7) . ?
C33 C43 1.381(8) . ?
C33 H33A 0.9500 . ?
C43 C53 1.356(7) . ?
C43 H43A 0.9500 . ?
C53 C63 1.384(7) . ?
C53 H53A 0.9500 . ?
C63 C103 1.515(7) . ?
C73 C93 1.520(7) . ?
C73 C83 1.529(7) . ?
C73 H73A 1.0000 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C103 C113 1.521(7) . ?
C103 C123 1.528(7) . ?
C103 H10E 1.0000 . ?
C113 H11G 0.9800 . ?
C113 H11H 0.9800 . ?
C113 H11I 0.9800 . ?
C123 H12D 0.9800 . ?
C123 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
N14 C44 1.323(6) . ?
N14 C16 1.443(6) . ?
N24 C24 1.362(6) . ?
N24 C15 1.443(6) . ?
C14 C74 1.534(7) . ?
C14 C84 1.536(7) . ?
C14 C64 1.547(7) . ?
C14 C24 1.564(7) . ?
C24 C34 1.389(6) . ?
C34 C44 1.422(7) . ?
C34 H34A 0.9500 . ?
C44 C54 1.555(7) . ?
C54 C104 1.521(7) . ?
C54 C94 1.536(7) . ?
C54 C114 1.539(7) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C104 H10F 0.9800 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C15 C25 1.398(7) . ?
C15 C65 1.411(7) . ?
C25 C35 1.397(7) . ?
C25 C75 1.513(7) . ?
C35 C45 1.363(7) . ?
C35 H35A 0.9500 . ?
C45 C55 1.385(7) . ?
C45 H45A 0.9500 . ?
C55 C65 1.386(6) . ?
C55 H55A 0.9500 . ?
C65 C105 1.515(7) . ?
C75 C95 1.521(8) . ?
C75 C85 1.530(8) . ?
C75 H75A 1.0000 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C105 C115 1.537(7) . ?
C105 C125 1.551(7) . ?
C105 H10I 1.0000 . ?
C115 H11M 0.9800 . ?
C115 H11N 0.9800 . ?
C115 H11O 0.9800 . ?
C125 H12G 0.9800 . ?
C125 H12H 0.9800 . ?
C125 H12I 0.9800 . ?
C16 C66 1.386(8) . ?
C16 C26 1.399(7) . ?
C26 C36 1.433(8) . ?
C26 C76 1.509(8) . ?
C36 C46 1.356(10) . ?
C36 H36A 0.9500 . ?
C46 C56 1.369(10) . ?
C46 H46A 0.9500 . ?
C56 C66 1.376(8) . ?
C56 H56A 0.9500 . ?
C66 C106 1.506(8) . ?
C76 C96 1.516(8) . ?
C76 C86 1.551(8) . ?
C76 H76A 1.0000 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C106 C116 1.528(8) . ?
C106 C126 1.555(8) . ?
C106 H10J 1.0000 . ?
C116 H11P 0.9800 . ?
C116 H11Q 0.9800 . ?
C116 H11R 0.9800 . ?
C126 H12J 0.9800 . ?
C126 H12K 0.9800 . ?
C126 H12L 0.9800 . ?
Co3 O2 1.708(4) . ?
Co3 N211 1.918(4) . ?
Co3 N221 1.950(4) . ?
Co4 O2 1.712(4) . ?
Co4 N214 1.922(4) . ?
Co4 N224 1.947(4) . ?
N211 C221 1.368(6) . ?
N211 C212 1.451(6) . ?
N221 C241 1.323(6) . ?
N221 C213 1.461(6) . ?
C211 C271 1.530(7) . ?
C211 C261 1.533(7) . ?
C211 C281 1.541(7) . ?
C211 C221 1.558(6) . ?
C221 C231 1.379(6) . ?
C231 C241 1.417(6) . ?
C231 H23B 0.9500 . ?
C241 C251 1.548(6) . ?
C251 C311 1.523(7) . ?
C251 C301 1.542(8) . ?
C251 C291 1.549(8) . ?
C261 H26A 0.9800 . ?
C261 H26B 0.9800 . ?
C261 H26C 0.9800 . ?
C271 H27F 0.9800 . ?
C271 H27G 0.9800 . ?
C271 H27H 0.9800 . ?
C281 H28A 0.9800 . ?
C281 H28B 0.9800 . ?
C281 H28C 0.9800 . ?
C291 H29M 0.9800 . ?
C291 H29N 0.9800 . ?
C291 H29O 0.9800 . ?
C301 H30H 0.9800 . ?
C301 H30I 0.9800 . ?
C301 H30J 0.9800 . ?
C311 H31E 0.9800 . ?
C311 H31F 0.9800 . ?
C311 H31G 0.9800 . ?
C212 C262 1.401(7) . ?
C212 C222 1.404(7) . ?
C222 C232 1.400(7) . ?
C222 C272 1.528(8) . ?
C232 C242 1.376(8) . ?
C232 H23D 0.9500 . ?
C242 C252 1.379(7) . ?
C242 H24B 0.9500 . ?
C252 C262 1.381(7) . ?
C252 H25C 0.9500 . ?
C262 C302 1.521(7) . ?
C272 C282 1.509(8) . ?
C272 C292 1.526(8) . ?
C272 H27J 1.0000 . ?
C282 H28P 0.9800 . ?
C282 H28Q 0.9800 . ?
C282 H28R 0.9800 . ?
C292 H29G 0.9800 . ?
C292 H29H 0.9800 . ?
C292 H29I 0.9800 . ?
C302 C312 1.527(7) . ?
C302 C322 1.532(7) . ?
C302 H30B 1.0000 . ?
C312 H31K 0.9800 . ?
C312 H31L 0.9800 . ?
C312 H31M 0.9800 . ?
C322 H32B 0.9800 . ?
C322 H32C 0.9800 . ?
C322 H32D 0.9800 . ?
C213 C223 1.388(7) . ?
C213 C263 1.408(7) . ?
C223 C233 1.414(8) . ?
C223 C273 1.481(9) . ?
C233 C243 1.400(11) . ?
C233 H23F 0.9500 . ?
C243 C253 1.360(10) . ?
C243 H24D 0.9500 . ?
C253 C263 1.380(8) . ?
C253 H25D 0.9500 . ?
C263 C303 1.493(8) . ?
C273 C283 1.529(8) . ?
C273 C293 1.530(8) . ?
C273 H27I 1.0000 . ?
C283 H28J 0.9800 . ?
C283 H28K 0.9800 . ?
C283 H28L 0.9800 . ?
C293 H29P 0.9800 . ?
C293 H29Q 0.9800 . ?
C293 H29R 0.9800 . ?
C303 C313 1.528(8) . ?
C303 C323 1.551(8) . ?
C303 H30C 1.0000 . ?
C313 H31Q 0.9800 . ?
C313 H31R 0.9800 . ?
C313 H31S 0.9800 . ?
C323 H32K 0.9800 . ?
C323 H32L 0.9800 . ?
C323 H32M 0.9800 . ?
N214 C224 1.356(6) . ?
N214 C215 1.456(6) . ?
N224 C244 1.328(6) . ?
N224 C216 1.439(6) . ?
C214 C274 1.537(6) . ?
C214 C284 1.540(7) . ?
C214 C264 1.551(7) . ?
C214 C224 1.570(6) . ?
C224 C234 1.392(6) . ?
C234 C244 1.410(7) . ?
C234 H23A 0.9500 . ?
C244 C254 1.553(7) . ?
C254 C304 1.530(7) . ?
C254 C294 1.532(7) . ?
C254 C314 1.539(7) . ?
C264 H26D 0.9800 . ?
C264 H26E 0.9800 . ?
C264 H26F 0.9800 . ?
C274 H27B 0.9800 . ?
C274 H27C 0.9800 . ?
C274 H27D 0.9800 . ?
C284 H28D 0.9800 . ?
C284 H28E 0.9800 . ?
C284 H28F 0.9800 . ?
C294 H29D 0.9800 . ?
C294 H29E 0.9800 . ?
C294 H29F 0.9800 . ?
C304 H30E 0.9800 . ?
C304 H30F 0.9800 . ?
C304 H30G 0.9800 . ?
C314 H31B 0.9800 . ?
C314 H31C 0.9800 . ?
C314 H31D 0.9800 . ?
C215 C265 1.390(7) . ?
C215 C225 1.407(6) . ?
C225 C235 1.390(7) . ?
C225 C275 1.526(7) . ?
C235 C245 1.390(7) . ?
C235 H23E 0.9500 . ?
C245 C255 1.379(7) . ?
C245 H24A 0.9500 . ?
C255 C265 1.388(6) . ?
C255 H25A 0.9500 . ?
C265 C305 1.539(7) . ?
C275 C295 1.489(7) . ?
C275 C285 1.517(7) . ?
C275 H27A 1.0000 . ?
C285 H28G 0.9800 . ?
C285 H28H 0.9800 . ?
C285 H28I 0.9800 . ?
C295 H29J 0.9800 . ?
C295 H29K 0.9800 . ?
C295 H29L 0.9800 . ?
C305 C325 1.518(7) . ?
C305 C315 1.542(7) . ?
C305 H30D 1.0000 . ?
C315 H31N 0.9800 . ?
C315 H31O 0.9800 . ?
C315 H31P 0.9800 . ?
C325 H32E 0.9800 . ?
C325 H32F 0.9800 . ?
C325 H32G 0.9800 . ?
C216 C226 1.392(7) . ?
C216 C266 1.402(7) . ?
C226 C236 1.401(7) . ?
C226 C276 1.498(7) . ?
C236 C246 1.346(8) . ?
C236 H23C 0.9500 . ?
C246 C256 1.384(8) . ?
C246 H24C 0.9500 . ?
C256 C266 1.393(7) . ?
C256 H25B 0.9500 . ?
C266 C306 1.506(7) . ?
C276 C286 1.518(7) . ?
C276 C296 1.535(7) . ?
C276 H27E 1.0000 . ?
C286 H28M 0.9800 . ?
C286 H28N 0.9800 . ?
C286 H28O 0.9800 . ?
C296 H29A 0.9800 . ?
C296 H29B 0.9800 . ?
C296 H29C 0.9800 . ?
C306 C316 1.515(7) . ?
C306 C326 1.537(7) . ?
C306 H30A 1.0000 . ?
C316 H31H 0.9800 . ?
C316 H31I 0.9800 . ?
C316 H31J 0.9800 . ?
C326 H32H 0.9800 . ?
C326 H32I 0.9800 . ?
C326 H32J 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
O1 Co1 N24 136.77(19) . . ?
O1 Co1 N14 124.47(19) . . ?
N24 Co1 N14 98.76(16) . . ?
O1 Co2 N11 135.26(18) . . ?
O1 Co2 N21 125.30(18) . . ?
N11 Co2 N21 99.44(16) . . ?
Co2 O1 Co1 166.9(3) . . ?
C21 N11 C12 122.1(4) . . ?
C21 N11 Co2 117.5(3) . . ?
C12 N11 Co2 120.0(3) . . ?
C41 N21 C13 123.7(4) . . ?
C41 N21 Co2 120.4(3) . . ?
C13 N21 Co2 115.8(3) . . ?
C61 C11 C81 106.0(4) . . ?
C61 C11 C71 107.4(4) . . ?
C81 C11 C71 108.2(4) . . ?
C61 C11 C21 117.4(4) . . ?
C81 C11 C21 112.8(4) . . ?
C71 C11 C21 104.6(4) . . ?
N11 C21 C31 120.5(4) . . ?
N11 C21 C11 123.7(4) . . ?
C31 C21 C11 115.4(4) . . ?
C21 C31 C41 134.5(5) . . ?
C21 C31 H31A 112.7 . . ?
C41 C31 H31A 112.7 . . ?
N21 C41 C31 118.9(4) . . ?
N21 C41 C51 126.2(7) . . ?
C31 C41 C51 114.4(7) . . ?
N21 C41 C51' 126.9(5) . . ?
C31 C41 C51' 114.1(5) . . ?
C11 C61 H61A 109.5 . . ?
C11 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C11 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C11 C71 H71A 109.5 . . ?
C11 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C11 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C11 C81 H81A 109.5 . . ?
C11 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C11 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C111 C51 C91 107.4(15) . . ?
C111 C51 C41 118.8(9) . . ?
C91 C51 C41 106.7(18) . . ?
C111 C51 C101 107.0(14) . . ?
C91 C51 C101 109.7(14) . . ?
C41 C51 C101 107(2) . . ?
C51 C91 H91A 109.5 . . ?
C51 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C51 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C51 C101 H10A 109.5 . . ?
C51 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C51 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C51 C111 H11A 109.5 . . ?
C51 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C51 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C91' C51' C41 106.5(11) . . ?
C91' C51' C10' 108.7(9) . . ?
C41 C51' C10' 110.6(15) . . ?
C51' C91' H91D 109.5 . . ?
C51' C91' H91E 109.5 . . ?
H91D C91' H91E 109.5 . . ?
C51' C91' H91F 109.5 . . ?
H91D C91' H91F 109.5 . . ?
H91E C91' H91F 109.5 . . ?
C51' C10' H10K 109.5 . . ?
C51' C10' H10L 109.5 . . ?
H10K C10' H10L 109.5 . . ?
C51' C10' H10M 109.5 . . ?
H10K C10' H10M 109.5 . . ?
H10L C10' H10M 109.5 . . ?
C22 C12 C62 120.2(4) . . ?
C22 C12 N11 117.9(4) . . ?
C62 C12 N11 121.8(4) . . ?
C32 C22 C12 118.3(5) . . ?
C32 C22 C72 119.6(4) . . ?
C12 C22 C72 122.0(4) . . ?
C42 C32 C22 122.0(5) . . ?
C42 C32 H32A 119.0 . . ?
C22 C32 H32A 119.0 . . ?
C52 C42 C32 119.1(5) . . ?
C52 C42 H42A 120.5 . . ?
C32 C42 H42A 120.5 . . ?
C42 C52 C62 121.8(5) . . ?
C42 C52 H52A 119.1 . . ?
C62 C52 H52A 119.1 . . ?
C12 C62 C52 118.2(5) . . ?
C12 C62 C102 123.4(4) . . ?
C52 C62 C102 118.5(5) . . ?
C92 C72 C22 113.1(4) . . ?
C92 C72 C82 109.8(4) . . ?
C22 C72 C82 111.3(4) . . ?
C92 C72 H72A 107.5 . . ?
C22 C72 H72A 107.5 . . ?
C82 C72 H72A 107.5 . . ?
C72 C82 H82A 109.5 . . ?
C72 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C72 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C72 C92 H92A 109.5 . . ?
C72 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C72 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C62 C102 C112 111.6(4) . . ?
C62 C102 C122 111.1(4) . . ?
C112 C102 C122 109.3(4) . . ?
C62 C102 H10D 108.3 . . ?
C112 C102 H10D 108.3 . . ?
C122 C102 H10D 108.3 . . ?
C102 C112 H11D 109.5 . . ?
C102 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C102 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C102 C122 H12A 109.5 . . ?
C102 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C102 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C23 C13 C63 121.9(5) . . ?
C23 C13 N21 118.6(4) . . ?
C63 C13 N21 119.2(4) . . ?
C33 C23 C13 116.9(5) . . ?
C33 C23 C73 120.8(5) . . ?
C13 C23 C73 122.3(4) . . ?
C23 C33 C43 122.4(5) . . ?
C23 C33 H33A 118.8 . . ?
C43 C33 H33A 118.8 . . ?
C53 C43 C33 118.9(5) . . ?
C53 C43 H43A 120.5 . . ?
C33 C43 H43A 120.5 . . ?
C43 C53 C63 122.4(5) . . ?
C43 C53 H53A 118.8 . . ?
C63 C53 H53A 118.8 . . ?
C53 C63 C13 117.1(5) . . ?
C53 C63 C103 120.9(5) . . ?
C13 C63 C103 122.0(4) . . ?
C23 C73 C93 112.4(5) . . ?
C23 C73 C83 109.3(5) . . ?
C93 C73 C83 109.1(5) . . ?
C23 C73 H73A 108.6 . . ?
C93 C73 H73A 108.6 . . ?
C83 C73 H73A 108.6 . . ?
C73 C83 H83A 109.5 . . ?
C73 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C73 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C73 C93 H93A 109.5 . . ?
C73 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C73 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C63 C103 C113 108.4(4) . . ?
C63 C103 C123 113.8(4) . . ?
C113 C103 C123 108.8(5) . . ?
C63 C103 H10E 108.6 . . ?
C113 C103 H10E 108.6 . . ?
C123 C103 H10E 108.6 . . ?
C103 C113 H11G 109.5 . . ?
C103 C113 H11H 109.5 . . ?
H11G C113 H11H 109.5 . . ?
C103 C113 H11I 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
C103 C123 H12D 109.5 . . ?
C103 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C103 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C44 N14 C16 124.6(4) . . ?
C44 N14 Co1 121.5(3) . . ?
C16 N14 Co1 113.8(3) . . ?
C24 N24 C15 121.7(4) . . ?
C24 N24 Co1 118.2(3) . . ?
C15 N24 Co1 119.4(3) . . ?
C74 C14 C84 105.5(4) . . ?
C74 C14 C64 107.6(4) . . ?
C84 C14 C64 108.1(4) . . ?
C74 C14 C24 118.6(4) . . ?
C84 C14 C24 113.0(4) . . ?
C64 C14 C24 103.6(4) . . ?
N24 C24 C34 121.5(4) . . ?
N24 C24 C14 123.1(4) . . ?
C34 C24 C14 115.0(4) . . ?
C24 C34 C44 132.3(5) . . ?
C24 C34 H34A 113.8 . . ?
C44 C34 H34A 113.8 . . ?
N14 C44 C34 119.8(4) . . ?
N14 C44 C54 126.6(4) . . ?
C34 C44 C54 113.5(4) . . ?
C104 C54 C94 109.5(5) . . ?
C104 C54 C114 106.3(4) . . ?
C94 C54 C114 105.2(4) . . ?
C104 C54 C44 108.4(4) . . ?
C94 C54 C44 107.9(4) . . ?
C114 C54 C44 119.3(4) . . ?
C14 C64 H64A 109.5 . . ?
C14 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C14 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C14 C74 H74A 109.5 . . ?
C14 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C14 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C14 C84 H84A 109.5 . . ?
C14 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C14 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C54 C94 H94A 109.5 . . ?
C54 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C54 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C54 C104 H10F 109.5 . . ?
C54 C104 H10G 109.5 . . ?
H10F C104 H10G 109.5 . . ?
C54 C104 H10H 109.5 . . ?
H10F C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C54 C114 H11J 109.5 . . ?
C54 C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C54 C114 H11L 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
C25 C15 C65 120.4(4) . . ?
C25 C15 N24 117.9(4) . . ?
C65 C15 N24 121.6(4) . . ?
C35 C25 C15 117.9(5) . . ?
C35 C25 C75 119.4(5) . . ?
C15 C25 C75 122.6(4) . . ?
C45 C35 C25 122.4(5) . . ?
C45 C35 H35A 118.8 . . ?
C25 C35 H35A 118.8 . . ?
C35 C45 C55 118.9(5) . . ?
C35 C45 H45A 120.5 . . ?
C55 C45 H45A 120.5 . . ?
C45 C55 C65 121.5(5) . . ?
C45 C55 H55A 119.2 . . ?
C65 C55 H55A 119.2 . . ?
C55 C65 C15 118.5(5) . . ?
C55 C65 C105 118.1(5) . . ?
C15 C65 C105 123.4(4) . . ?
C25 C75 C95 113.2(5) . . ?
C25 C75 C85 112.4(5) . . ?
C95 C75 C85 109.2(5) . . ?
C25 C75 H75A 107.2 . . ?
C95 C75 H75A 107.2 . . ?
C85 C75 H75A 107.2 . . ?
C75 C85 H85A 109.5 . . ?
C75 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C75 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C75 C95 H95A 109.5 . . ?
C75 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C75 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C65 C105 C115 110.9(4) . . ?
C65 C105 C125 111.5(4) . . ?
C115 C105 C125 109.0(5) . . ?
C65 C105 H10I 108.5 . . ?
C115 C105 H10I 108.5 . . ?
C125 C105 H10I 108.5 . . ?
C105 C115 H11M 109.5 . . ?
C105 C115 H11N 109.5 . . ?
H11M C115 H11N 109.5 . . ?
C105 C115 H11O 109.5 . . ?
H11M C115 H11O 109.5 . . ?
H11N C115 H11O 109.5 . . ?
C105 C125 H12G 109.5 . . ?
C105 C125 H12H 109.5 . . ?
H12G C125 H12H 109.5 . . ?
C105 C125 H12I 109.5 . . ?
H12G C125 H12I 109.5 . . ?
H12H C125 H12I 109.5 . . ?
C66 C16 C26 121.8(5) . . ?
C66 C16 N14 120.7(5) . . ?
C26 C16 N14 117.2(5) . . ?
C16 C26 C36 116.2(6) . . ?
C16 C26 C76 124.1(5) . . ?
C36 C26 C76 119.7(6) . . ?
C46 C36 C26 120.7(7) . . ?
C46 C36 H36A 119.7 . . ?
C26 C36 H36A 119.7 . . ?
C36 C46 C56 121.5(7) . . ?
C36 C46 H46A 119.2 . . ?
C56 C46 H46A 119.2 . . ?
C46 C56 C66 120.0(7) . . ?
C46 C56 H56A 120.0 . . ?
C66 C56 H56A 120.0 . . ?
C56 C66 C16 119.6(6) . . ?
C56 C66 C106 119.2(6) . . ?
C16 C66 C106 121.2(5) . . ?
C26 C76 C96 114.1(5) . . ?
C26 C76 C86 107.3(6) . . ?
C96 C76 C86 111.0(5) . . ?
C26 C76 H76A 108.1 . . ?
C96 C76 H76A 108.1 . . ?
C86 C76 H76A 108.1 . . ?
C76 C86 H86A 109.5 . . ?
C76 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C76 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C76 C96 H96A 109.5 . . ?
C76 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C76 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C66 C106 C116 108.2(5) . . ?
C66 C106 C126 114.2(5) . . ?
C116 C106 C126 110.4(5) . . ?
C66 C106 H10J 107.9 . . ?
C116 C106 H10J 107.9 . . ?
C126 C106 H10J 107.9 . . ?
C106 C116 H11P 109.5 . . ?
C106 C116 H11Q 109.5 . . ?
H11P C116 H11Q 109.5 . . ?
C106 C116 H11R 109.5 . . ?
H11P C116 H11R 109.5 . . ?
H11Q C116 H11R 109.5 . . ?
C106 C126 H12J 109.5 . . ?
C106 C126 H12K 109.5 . . ?
H12J C126 H12K 109.5 . . ?
C106 C126 H12L 109.5 . . ?
H12J C126 H12L 109.5 . . ?
H12K C126 H12L 109.5 . . ?
O2 Co3 N211 138.47(18) . . ?
O2 Co3 N221 122.86(18) . . ?
N211 Co3 N221 98.65(16) . . ?
O2 Co4 N214 135.39(18) . . ?
O2 Co4 N224 125.28(17) . . ?
N214 Co4 N224 99.25(16) . . ?
Co3 O2 Co4 165.3(3) . . ?
C221 N211 C212 122.2(4) . . ?
C221 N211 Co3 117.7(3) . . ?
C212 N211 Co3 119.4(3) . . ?
C241 N221 C213 124.4(4) . . ?
C241 N221 Co3 121.0(3) . . ?
C213 N221 Co3 114.5(3) . . ?
C271 C211 C261 107.9(4) . . ?
C271 C211 C281 108.7(4) . . ?
C261 C211 C281 106.0(4) . . ?
C271 C211 C221 105.8(4) . . ?
C261 C211 C221 117.1(4) . . ?
C281 C211 C221 111.2(4) . . ?
N211 C221 C231 120.7(4) . . ?
N211 C221 C211 123.1(4) . . ?
C231 C221 C211 115.6(4) . . ?
C221 C231 C241 133.1(5) . . ?
C221 C231 H23B 113.5 . . ?
C241 C231 H23B 113.5 . . ?
N221 C241 C231 119.4(4) . . ?
N221 C241 C251 126.7(4) . . ?
C231 C241 C251 113.8(4) . . ?
C311 C251 C301 106.2(4) . . ?
C311 C251 C241 119.2(4) . . ?
C301 C251 C241 108.4(5) . . ?
C311 C251 C291 104.7(5) . . ?
C301 C251 C291 110.9(5) . . ?
C241 C251 C291 107.4(4) . . ?
C211 C261 H26A 109.5 . . ?
C211 C261 H26B 109.5 . . ?
H26A C261 H26B 109.5 . . ?
C211 C261 H26C 109.5 . . ?
H26A C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C211 C271 H27F 109.5 . . ?
C211 C271 H27G 109.5 . . ?
H27F C271 H27G 109.5 . . ?
C211 C271 H27H 109.5 . . ?
H27F C271 H27H 109.5 . . ?
H27G C271 H27H 109.5 . . ?
C211 C281 H28A 109.5 . . ?
C211 C281 H28B 109.5 . . ?
H28A C281 H28B 109.5 . . ?
C211 C281 H28C 109.5 . . ?
H28A C281 H28C 109.5 . . ?
H28B C281 H28C 109.5 . . ?
C251 C291 H29M 109.5 . . ?
C251 C291 H29N 109.5 . . ?
H29M C291 H29N 109.5 . . ?
C251 C291 H29O 109.5 . . ?
H29M C291 H29O 109.5 . . ?
H29N C291 H29O 109.5 . . ?
C251 C301 H30H 109.5 . . ?
C251 C301 H30I 109.5 . . ?
H30H C301 H30I 109.5 . . ?
C251 C301 H30J 109.5 . . ?
H30H C301 H30J 109.5 . . ?
H30I C301 H30J 109.5 . . ?
C251 C311 H31E 109.5 . . ?
C251 C311 H31F 109.5 . . ?
H31E C311 H31F 109.5 . . ?
C251 C311 H31G 109.5 . . ?
H31E C311 H31G 109.5 . . ?
H31F C311 H31G 109.5 . . ?
C262 C212 C222 120.4(4) . . ?
C262 C212 N211 121.7(4) . . ?
C222 C212 N211 117.8(4) . . ?
C232 C222 C212 118.4(5) . . ?
C232 C222 C272 118.4(5) . . ?
C212 C222 C272 123.2(5) . . ?
C242 C232 C222 121.5(5) . . ?
C242 C232 H23D 119.3 . . ?
C222 C232 H23D 119.3 . . ?
C232 C242 C252 118.9(5) . . ?
C232 C242 H24B 120.5 . . ?
C252 C242 H24B 120.5 . . ?
C242 C252 C262 122.2(5) . . ?
C242 C252 H25C 118.9 . . ?
C262 C252 H25C 118.9 . . ?
C252 C262 C212 118.6(5) . . ?
C252 C262 C302 117.5(5) . . ?
C212 C262 C302 123.9(4) . . ?
C282 C272 C292 108.8(5) . . ?
C282 C272 C222 112.7(5) . . ?
C292 C272 C222 112.6(5) . . ?
C282 C272 H27J 107.5 . . ?
C292 C272 H27J 107.5 . . ?
C222 C272 H27J 107.5 . . ?
C272 C282 H28P 109.5 . . ?
C272 C282 H28Q 109.5 . . ?
H28P C282 H28Q 109.5 . . ?
C272 C282 H28R 109.5 . . ?
H28P C282 H28R 109.5 . . ?
H28Q C282 H28R 109.5 . . ?
C272 C292 H29G 109.5 . . ?
C272 C292 H29H 109.5 . . ?
H29G C292 H29H 109.5 . . ?
C272 C292 H29I 109.5 . . ?
H29G C292 H29I 109.5 . . ?
H29H C292 H29I 109.5 . . ?
C262 C302 C312 111.1(4) . . ?
C262 C302 C322 111.7(4) . . ?
C312 C302 C322 110.2(4) . . ?
C262 C302 H30B 107.9 . . ?
C312 C302 H30B 107.9 . . ?
C322 C302 H30B 107.9 . . ?
C302 C312 H31K 109.5 . . ?
C302 C312 H31L 109.5 . . ?
H31K C312 H31L 109.5 . . ?
C302 C312 H31M 109.5 . . ?
H31K C312 H31M 109.5 . . ?
H31L C312 H31M 109.5 . . ?
C302 C322 H32B 109.5 . . ?
C302 C322 H32C 109.5 . . ?
H32B C322 H32C 109.5 . . ?
C302 C322 H32D 109.5 . . ?
H32B C322 H32D 109.5 . . ?
H32C C322 H32D 109.5 . . ?
C223 C213 C263 122.6(5) . . ?
C223 C213 N221 118.7(5) . . ?
C263 C213 N221 118.4(5) . . ?
C213 C223 C233 117.8(6) . . ?
C213 C223 C273 124.1(5) . . ?
C233 C223 C273 118.0(6) . . ?
C243 C233 C223 118.9(7) . . ?
C243 C233 H23F 120.6 . . ?
C223 C233 H23F 120.6 . . ?
C253 C243 C233 121.8(7) . . ?
C253 C243 H24D 119.1 . . ?
C233 C243 H24D 119.1 . . ?
C243 C253 C263 120.9(7) . . ?
C243 C253 H25D 119.5 . . ?
C263 C253 H25D 119.5 . . ?
C253 C263 C213 117.8(6) . . ?
C253 C263 C303 119.4(6) . . ?
C213 C263 C303 122.7(5) . . ?
C223 C273 C283 109.7(6) . . ?
C223 C273 C293 113.1(5) . . ?
C283 C273 C293 110.4(5) . . ?
C223 C273 H27I 107.8 . . ?
C283 C273 H27I 107.8 . . ?
C293 C273 H27I 107.8 . . ?
C273 C283 H28J 109.5 . . ?
C273 C283 H28K 109.5 . . ?
H28J C283 H28K 109.5 . . ?
C273 C283 H28L 109.5 . . ?
H28J C283 H28L 109.5 . . ?
H28K C283 H28L 109.5 . . ?
C273 C293 H29P 109.5 . . ?
C273 C293 H29Q 109.5 . . ?
H29P C293 H29Q 109.5 . . ?
C273 C293 H29R 109.5 . . ?
H29P C293 H29R 109.5 . . ?
H29Q C293 H29R 109.5 . . ?
C263 C303 C313 108.9(5) . . ?
C263 C303 C323 113.6(5) . . ?
C313 C303 C323 109.9(5) . . ?
C263 C303 H30C 108.1 . . ?
C313 C303 H30C 108.1 . . ?
C323 C303 H30C 108.1 . . ?
C303 C313 H31Q 109.5 . . ?
C303 C313 H31R 109.5 . . ?
H31Q C313 H31R 109.5 . . ?
C303 C313 H31S 109.5 . . ?
H31Q C313 H31S 109.5 . . ?
H31R C313 H31S 109.5 . . ?
C303 C323 H32K 109.5 . . ?
C303 C323 H32L 109.5 . . ?
H32K C323 H32L 109.5 . . ?
C303 C323 H32M 109.5 . . ?
H32K C323 H32M 109.5 . . ?
H32L C323 H32M 109.5 . . ?
C224 N214 C215 121.5(4) . . ?
C224 N214 Co4 117.5(3) . . ?
C215 N214 Co4 120.7(3) . . ?
C244 N224 C216 124.4(4) . . ?
C244 N224 Co4 120.9(3) . . ?
C216 N224 Co4 114.5(3) . . ?
C274 C214 C284 109.5(4) . . ?
C274 C214 C264 107.4(4) . . ?
C284 C214 C264 105.9(4) . . ?
C274 C214 C224 104.3(4) . . ?
C284 C214 C224 112.0(4) . . ?
C264 C214 C224 117.6(4) . . ?
N214 C224 C234 121.2(4) . . ?
N214 C224 C214 124.4(4) . . ?
C234 C224 C214 113.9(4) . . ?
C224 C234 C244 133.7(5) . . ?
C224 C234 H23A 113.1 . . ?
C244 C234 H23A 113.1 . . ?
N224 C244 C234 119.2(4) . . ?
N224 C244 C254 127.5(4) . . ?
C234 C244 C254 113.2(4) . . ?
C304 C254 C294 109.9(5) . . ?
C304 C254 C314 105.7(4) . . ?
C294 C254 C314 106.0(4) . . ?
C304 C254 C244 109.3(4) . . ?
C294 C254 C244 107.8(4) . . ?
C314 C254 C244 118.0(4) . . ?
C214 C264 H26D 109.5 . . ?
C214 C264 H26E 109.5 . . ?
H26D C264 H26E 109.5 . . ?
C214 C264 H26F 109.5 . . ?
H26D C264 H26F 109.5 . . ?
H26E C264 H26F 109.5 . . ?
C214 C274 H27B 109.5 . . ?
C214 C274 H27C 109.5 . . ?
H27B C274 H27C 109.5 . . ?
C214 C274 H27D 109.5 . . ?
H27B C274 H27D 109.5 . . ?
H27C C274 H27D 109.5 . . ?
C214 C284 H28D 109.5 . . ?
C214 C284 H28E 109.5 . . ?
H28D C284 H28E 109.5 . . ?
C214 C284 H28F 109.5 . . ?
H28D C284 H28F 109.5 . . ?
H28E C284 H28F 109.5 . . ?
C254 C294 H29D 109.5 . . ?
C254 C294 H29E 109.5 . . ?
H29D C294 H29E 109.5 . . ?
C254 C294 H29F 109.5 . . ?
H29D C294 H29F 109.5 . . ?
H29E C294 H29F 109.5 . . ?
C254 C304 H30E 109.5 . . ?
C254 C304 H30F 109.5 . . ?
H30E C304 H30F 109.5 . . ?
C254 C304 H30G 109.5 . . ?
H30E C304 H30G 109.5 . . ?
H30F C304 H30G 109.5 . . ?
C254 C314 H31B 109.5 . . ?
C254 C314 H31C 109.5 . . ?
H31B C314 H31C 109.5 . . ?
C254 C314 H31D 109.5 . . ?
H31B C314 H31D 109.5 . . ?
H31C C314 H31D 109.5 . . ?
C265 C215 C225 120.9(4) . . ?
C265 C215 N214 121.2(4) . . ?
C225 C215 N214 117.8(4) . . ?
C235 C225 C215 117.9(5) . . ?
C235 C225 C275 118.6(4) . . ?
C215 C225 C275 123.5(4) . . ?
C245 C235 C225 121.1(5) . . ?
C245 C235 H23E 119.5 . . ?
C225 C235 H23E 119.5 . . ?
C255 C245 C235 120.0(5) . . ?
C255 C245 H24A 120.0 . . ?
C235 C245 H24A 120.0 . . ?
C245 C255 C265 120.2(5) . . ?
C245 C255 H25A 119.9 . . ?
C265 C255 H25A 119.9 . . ?
C255 C265 C215 119.4(5) . . ?
C255 C265 C305 117.4(5) . . ?
C215 C265 C305 123.1(4) . . ?
C295 C275 C285 109.9(5) . . ?
C295 C275 C225 113.5(5) . . ?
C285 C275 C225 110.5(4) . . ?
C295 C275 H27A 107.6 . . ?
C285 C275 H27A 107.6 . . ?
C225 C275 H27A 107.6 . . ?
C275 C285 H28G 109.5 . . ?
C275 C285 H28H 109.5 . . ?
H28G C285 H28H 109.5 . . ?
C275 C285 H28I 109.5 . . ?
H28G C285 H28I 109.5 . . ?
H28H C285 H28I 109.5 . . ?
C275 C295 H29J 109.5 . . ?
C275 C295 H29K 109.5 . . ?
H29J C295 H29K 109.5 . . ?
C275 C295 H29L 109.5 . . ?
H29J C295 H29L 109.5 . . ?
H29K C295 H29L 109.5 . . ?
C325 C305 C265 112.3(4) . . ?
C325 C305 C315 109.1(4) . . ?
C265 C305 C315 110.8(4) . . ?
C325 C305 H30D 108.2 . . ?
C265 C305 H30D 108.2 . . ?
C315 C305 H30D 108.2 . . ?
C305 C315 H31N 109.5 . . ?
C305 C315 H31O 109.5 . . ?
H31N C315 H31O 109.5 . . ?
C305 C315 H31P 109.5 . . ?
H31N C315 H31P 109.5 . . ?
H31O C315 H31P 109.5 . . ?
C305 C325 H32E 109.5 . . ?
C305 C325 H32F 109.5 . . ?
H32E C325 H32F 109.5 . . ?
C305 C325 H32G 109.5 . . ?
H32E C325 H32G 109.5 . . ?
H32F C325 H32G 109.5 . . ?
C226 C216 C266 121.0(5) . . ?
C226 C216 N224 118.8(4) . . ?
C266 C216 N224 120.0(4) . . ?
C216 C226 C236 118.1(5) . . ?
C216 C226 C276 123.4(5) . . ?
C236 C226 C276 118.5(5) . . ?
C246 C236 C226 121.9(6) . . ?
C246 C236 H23C 119.0 . . ?
C226 C236 H23C 119.0 . . ?
C236 C246 C256 119.4(5) . . ?
C236 C246 H24C 120.3 . . ?
C256 C246 H24C 120.3 . . ?
C246 C256 C266 121.7(5) . . ?
C246 C256 H25B 119.2 . . ?
C266 C256 H25B 119.2 . . ?
C256 C266 C216 117.6(5) . . ?
C256 C266 C306 120.9(5) . . ?
C216 C266 C306 121.4(5) . . ?
C226 C276 C286 111.2(5) . . ?
C226 C276 C296 114.6(5) . . ?
C286 C276 C296 109.2(5) . . ?
C226 C276 H27E 107.2 . . ?
C286 C276 H27E 107.2 . . ?
C296 C276 H27E 107.2 . . ?
C276 C286 H28M 109.5 . . ?
C276 C286 H28N 109.5 . . ?
H28M C286 H28N 109.5 . . ?
C276 C286 H28O 109.5 . . ?
H28M C286 H28O 109.5 . . ?
H28N C286 H28O 109.5 . . ?
C276 C296 H29A 109.5 . . ?
C276 C296 H29B 109.5 . . ?
H29A C296 H29B 109.5 . . ?
C276 C296 H29C 109.5 . . ?
H29A C296 H29C 109.5 . . ?
H29B C296 H29C 109.5 . . ?
C266 C306 C316 109.3(4) . . ?
C266 C306 C326 112.4(5) . . ?
C316 C306 C326 109.6(4) . . ?
C266 C306 H30A 108.5 . . ?
C316 C306 H30A 108.5 . . ?
C326 C306 H30A 108.5 . . ?
C306 C316 H31H 109.5 . . ?
C306 C316 H31I 109.5 . . ?
H31H C316 H31I 109.5 . . ?
C306 C316 H31J 109.5 . . ?
H31H C316 H31J 109.5 . . ?
H31I C316 H31J 109.5 . . ?
C306 C326 H32H 109.5 . . ?
C306 C326 H32I 109.5 . . ?
H32H C326 H32I 109.5 . . ?
C306 C326 H32J 109.5 . . ?
H32H C326 H32J 109.5 . . ?
H32I C326 H32J 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N11 Co2 O1 Co1 48.8(14) . . . . ?
N21 Co2 O1 Co1 -130.5(12) . . . . ?
N24 Co1 O1 Co2 38.9(14) . . . . ?
N14 Co1 O1 Co2 -142.0(12) . . . . ?
C12 N11 C21 C31 150.5(4) . . . . ?
Co2 N11 C21 C31 -22.0(6) . . . . ?
C12 N11 C21 C11 -37.4(6) . . . . ?
Co2 N11 C21 C11 150.1(4) . . . . ?
C61 C11 C21 N11 32.6(7) . . . . ?
C81 C11 C21 N11 156.3(4) . . . . ?
C71 C11 C21 N11 -86.3(5) . . . . ?
C61 C11 C21 C31 -154.9(5) . . . . ?
C81 C11 C21 C31 -31.2(6) . . . . ?
C71 C11 C21 C31 86.1(5) . . . . ?
N11 C21 C31 C41 -6.6(8) . . . . ?
C11 C21 C31 C41 -179.4(5) . . . . ?
C13 N21 C41 C31 176.3(4) . . . . ?
Co2 N21 C41 C31 0.6(6) . . . . ?
C13 N21 C41 C51 -12.4(14) . . . . ?
Co2 N21 C41 C51 172.0(12) . . . . ?
C13 N21 C41 C51' -0.4(11) . . . . ?
Co2 N21 C41 C51' -176.0(9) . . . . ?
C21 C31 C41 N21 19.1(8) . . . . ?
C21 C31 C41 C51 -153.2(12) . . . . ?
C21 C31 C41 C51' -163.8(9) . . . . ?
N21 C41 C51 C111 16(2) . . . . ?
C31 C41 C51 C111 -172.8(13) . . . . ?
C51' C41 C51 C111 -82(5) . . . . ?
N21 C41 C51 C91 -105.9(14) . . . . ?
C31 C41 C51 C91 65.8(15) . . . . ?
C51' C41 C51 C91 156(6) . . . . ?
N21 C41 C51 C101 136.7(13) . . . . ?
C31 C41 C51 C101 -51.6(16) . . . . ?
C51' C41 C51 C101 39(5) . . . . ?
N21 C41 C51' C91' -126.6(10) . . . . ?
C31 C41 C51' C91' 56.6(11) . . . . ?
C51 C41 C51' C91' -37(5) . . . . ?
N21 C41 C51' C10' 115.5(11) . . . . ?
C31 C41 C51' C10' -61.2(11) . . . . ?
C51 C41 C51' C10' -155(5) . . . . ?
C21 N11 C12 C22 -72.4(6) . . . . ?
Co2 N11 C12 C22 99.9(4) . . . . ?
C21 N11 C12 C62 110.6(5) . . . . ?
Co2 N11 C12 C62 -77.1(5) . . . . ?
C62 C12 C22 C32 -5.8(7) . . . . ?
N11 C12 C22 C32 177.2(4) . . . . ?
C62 C12 C22 C72 172.1(4) . . . . ?
N11 C12 C22 C72 -4.9(7) . . . . ?
C12 C22 C32 C42 1.0(7) . . . . ?
C72 C22 C32 C42 -177.0(5) . . . . ?
C22 C32 C42 C52 3.1(8) . . . . ?
C32 C42 C52 C62 -2.4(8) . . . . ?
C22 C12 C62 C52 6.5(7) . . . . ?
N11 C12 C62 C52 -176.6(4) . . . . ?
C22 C12 C62 C102 -174.2(4) . . . . ?
N11 C12 C62 C102 2.7(7) . . . . ?
C42 C52 C62 C12 -2.4(7) . . . . ?
C42 C52 C62 C102 178.3(5) . . . . ?
C32 C22 C72 C92 -74.5(6) . . . . ?
C12 C22 C72 C92 107.6(5) . . . . ?
C32 C22 C72 C82 49.7(6) . . . . ?
C12 C22 C72 C82 -128.2(5) . . . . ?
C12 C62 C102 C112 120.0(5) . . . . ?
C52 C62 C102 C112 -60.7(6) . . . . ?
C12 C62 C102 C122 -117.9(5) . . . . ?
C52 C62 C102 C122 61.5(6) . . . . ?
C41 N21 C13 C23 -88.9(5) . . . . ?
Co2 N21 C13 C23 86.9(4) . . . . ?
C41 N21 C13 C63 96.7(5) . . . . ?
Co2 N21 C13 C63 -87.5(4) . . . . ?
C63 C13 C23 C33 -7.1(7) . . . . ?
N21 C13 C23 C33 178.7(4) . . . . ?
C63 C13 C23 C73 170.5(5) . . . . ?
N21 C13 C23 C73 -3.7(7) . . . . ?
C13 C23 C33 C43 2.8(8) . . . . ?
C73 C23 C33 C43 -174.9(5) . . . . ?
C23 C33 C43 C53 1.6(8) . . . . ?
C33 C43 C53 C63 -2.0(8) . . . . ?
C43 C53 C63 C13 -2.1(7) . . . . ?
C43 C53 C63 C103 176.6(5) . . . . ?
C23 C13 C63 C53 6.8(7) . . . . ?
N21 C13 C63 C53 -179.0(4) . . . . ?
C23 C13 C63 C103 -171.8(4) . . . . ?
N21 C13 C63 C103 2.3(7) . . . . ?
C33 C23 C73 C93 -60.5(7) . . . . ?
C13 C23 C73 C93 121.9(6) . . . . ?
C33 C23 C73 C83 60.8(6) . . . . ?
C13 C23 C73 C83 -116.8(5) . . . . ?
C53 C63 C103 C113 -72.6(6) . . . . ?
C13 C63 C103 C113 106.1(5) . . . . ?
C53 C63 C103 C123 48.6(7) . . . . ?
C13 C63 C103 C123 -132.8(5) . . . . ?
C15 N24 C24 C34 148.9(5) . . . . ?
Co1 N24 C24 C34 -21.9(6) . . . . ?
C15 N24 C24 C14 -38.6(7) . . . . ?
Co1 N24 C24 C14 150.6(3) . . . . ?
C74 C14 C24 N24 33.9(7) . . . . ?
C84 C14 C24 N24 158.1(4) . . . . ?
C64 C14 C24 N24 -85.1(5) . . . . ?
C74 C14 C24 C34 -153.1(5) . . . . ?
C84 C14 C24 C34 -28.9(6) . . . . ?
C64 C14 C24 C34 87.9(5) . . . . ?
N24 C24 C34 C44 -5.3(8) . . . . ?
C14 C24 C34 C44 -178.4(5) . . . . ?
C16 N14 C44 C34 176.7(4) . . . . ?
Co1 N14 C44 C34 -2.4(6) . . . . ?
C16 N14 C44 C54 -3.6(8) . . . . ?
Co1 N14 C44 C54 177.3(3) . . . . ?
C24 C34 C44 N14 19.3(8) . . . . ?
C24 C34 C44 C54 -160.4(5) . . . . ?
N14 C44 C54 C104 118.4(6) . . . . ?
C34 C44 C54 C104 -61.9(6) . . . . ?
N14 C44 C54 C94 -123.1(5) . . . . ?
C34 C44 C54 C94 56.6(6) . . . . ?
N14 C44 C54 C114 -3.2(7) . . . . ?
C34 C44 C54 C114 176.5(4) . . . . ?
C24 N24 C15 C25 -71.0(6) . . . . ?
Co1 N24 C15 C25 99.7(4) . . . . ?
C24 N24 C15 C65 112.6(5) . . . . ?
Co1 N24 C15 C65 -76.7(5) . . . . ?
C65 C15 C25 C35 -5.9(7) . . . . ?
N24 C15 C25 C35 177.6(4) . . . . ?
C65 C15 C25 C75 171.2(5) . . . . ?
N24 C15 C25 C75 -5.3(7) . . . . ?
C15 C25 C35 C45 2.2(8) . . . . ?
C75 C25 C35 C45 -175.0(5) . . . . ?
C25 C35 C45 C55 2.4(8) . . . . ?
C35 C45 C55 C65 -3.3(8) . . . . ?
C45 C55 C65 C15 -0.4(7) . . . . ?
C45 C55 C65 C105 180.0(4) . . . . ?
C25 C15 C65 C55 5.1(7) . . . . ?
N24 C15 C65 C55 -178.6(4) . . . . ?
C25 C15 C65 C105 -175.3(4) . . . . ?
N24 C15 C65 C105 1.0(7) . . . . ?
C35 C25 C75 C95 -77.4(6) . . . . ?
C15 C25 C75 C95 105.6(6) . . . . ?
C35 C25 C75 C85 46.9(7) . . . . ?
C15 C25 C75 C85 -130.1(5) . . . . ?
C55 C65 C105 C115 -60.2(6) . . . . ?
C15 C65 C105 C115 120.2(5) . . . . ?
C55 C65 C105 C125 61.5(6) . . . . ?
C15 C65 C105 C125 -118.1(5) . . . . ?
C44 N14 C16 C66 95.5(6) . . . . ?
Co1 N14 C16 C66 -85.4(5) . . . . ?
C44 N14 C16 C26 -90.2(6) . . . . ?
Co1 N14 C16 C26 89.0(4) . . . . ?
C66 C16 C26 C36 -5.3(7) . . . . ?
N14 C16 C26 C36 -179.6(5) . . . . ?
C66 C16 C26 C76 172.6(5) . . . . ?
N14 C16 C26 C76 -1.7(7) . . . . ?
C16 C26 C36 C46 1.0(8) . . . . ?
C76 C26 C36 C46 -177.1(6) . . . . ?
C26 C36 C46 C56 3.0(10) . . . . ?
C36 C46 C56 C66 -2.8(9) . . . . ?
C46 C56 C66 C16 -1.5(8) . . . . ?
C46 C56 C66 C106 177.3(5) . . . . ?
C26 C16 C66 C56 5.7(8) . . . . ?
N14 C16 C66 C56 179.8(5) . . . . ?
C26 C16 C66 C106 -173.1(5) . . . . ?
N14 C16 C66 C106 1.0(7) . . . . ?
C16 C26 C76 C96 124.6(6) . . . . ?
C36 C26 C76 C96 -57.5(8) . . . . ?
C16 C26 C76 C86 -111.9(6) . . . . ?
C36 C26 C76 C86 65.9(6) . . . . ?
C56 C66 C106 C116 -72.8(6) . . . . ?
C16 C66 C106 C116 106.0(6) . . . . ?
C56 C66 C106 C126 50.6(7) . . . . ?
C16 C66 C106 C126 -130.6(5) . . . . ?
N211 Co3 O2 Co4 45.1(12) . . . . ?
N221 Co3 O2 Co4 -136.8(10) . . . . ?
N214 Co4 O2 Co3 40.7(12) . . . . ?
N224 Co4 O2 Co3 -135.5(10) . . . . ?
C212 N211 C221 C231 147.7(5) . . . . ?
Co3 N211 C221 C231 -22.2(6) . . . . ?
C212 N211 C221 C211 -41.7(7) . . . . ?
Co3 N211 C221 C211 148.4(4) . . . . ?
C271 C211 C221 N211 -87.2(5) . . . . ?
C261 C211 C221 N211 33.0(7) . . . . ?
C281 C211 C221 N211 155.0(4) . . . . ?
C271 C211 C221 C231 83.8(5) . . . . ?
C261 C211 C221 C231 -156.0(5) . . . . ?
C281 C211 C221 C231 -34.0(6) . . . . ?
N211 C221 C231 C241 -8.4(9) . . . . ?
C211 C221 C231 C241 -179.7(5) . . . . ?
C213 N221 C241 C231 174.8(5) . . . . ?
Co3 N221 C241 C231 -3.8(6) . . . . ?
C213 N221 C241 C251 -5.6(8) . . . . ?
Co3 N221 C241 C251 175.8(4) . . . . ?
C221 C231 C241 N221 23.6(8) . . . . ?
C221 C231 C241 C251 -156.1(5) . . . . ?
N221 C241 C251 C311 -5.1(8) . . . . ?
C231 C241 C251 C311 174.5(5) . . . . ?
N221 C241 C251 C301 116.4(6) . . . . ?
C231 C241 C251 C301 -63.9(6) . . . . ?
N221 C241 C251 C291 -123.7(6) . . . . ?
C231 C241 C251 C291 55.9(6) . . . . ?
C221 N211 C212 C262 113.8(5) . . . . ?
Co3 N211 C212 C262 -76.4(5) . . . . ?
C221 N211 C212 C222 -69.6(6) . . . . ?
Co3 N211 C212 C222 100.2(5) . . . . ?
C262 C212 C222 C232 -2.4(7) . . . . ?
N211 C212 C222 C232 -179.1(5) . . . . ?
C262 C212 C222 C272 174.4(5) . . . . ?
N211 C212 C222 C272 -2.3(7) . . . . ?
C212 C222 C232 C242 0.9(8) . . . . ?
C272 C222 C232 C242 -176.1(5) . . . . ?
C222 C232 C242 C252 0.7(9) . . . . ?
C232 C242 C252 C262 -0.8(9) . . . . ?
C242 C252 C262 C212 -0.7(8) . . . . ?
C242 C252 C262 C302 179.4(5) . . . . ?
C222 C212 C262 C252 2.3(7) . . . . ?
N211 C212 C262 C252 178.9(5) . . . . ?
C222 C212 C262 C302 -177.8(5) . . . . ?
N211 C212 C262 C302 -1.3(7) . . . . ?
C232 C222 C272 C282 49.4(7) . . . . ?
C212 C222 C272 C282 -127.4(6) . . . . ?
C232 C222 C272 C292 -74.2(7) . . . . ?
C212 C222 C272 C292 109.0(6) . . . . ?
C252 C262 C302 C312 -63.5(6) . . . . ?
C212 C262 C302 C312 116.7(5) . . . . ?
C252 C262 C302 C322 60.0(6) . . . . ?
C212 C262 C302 C322 -119.8(5) . . . . ?
C241 N221 C213 C223 -87.4(6) . . . . ?
Co3 N221 C213 C223 91.2(5) . . . . ?
C241 N221 C213 C263 98.0(6) . . . . ?
Co3 N221 C213 C263 -83.4(5) . . . . ?
C263 C213 C223 C233 -4.9(8) . . . . ?
N221 C213 C223 C233 -179.3(5) . . . . ?
C263 C213 C223 C273 170.6(5) . . . . ?
N221 C213 C223 C273 -3.7(8) . . . . ?
C213 C223 C233 C243 2.6(8) . . . . ?
C273 C223 C233 C243 -173.2(6) . . . . ?
C223 C233 C243 C253 -0.2(10) . . . . ?
C233 C243 C253 C263 -0.1(10) . . . . ?
C243 C253 C263 C213 -2.0(8) . . . . ?
C243 C253 C263 C303 176.4(5) . . . . ?
C223 C213 C263 C253 4.6(8) . . . . ?
N221 C213 C263 C253 179.0(5) . . . . ?
C223 C213 C263 C303 -173.7(5) . . . . ?
N221 C213 C263 C303 0.6(7) . . . . ?
C213 C223 C273 C283 -107.7(6) . . . . ?
C233 C223 C273 C283 67.9(7) . . . . ?
C213 C223 C273 C293 128.6(6) . . . . ?
C233 C223 C273 C293 -55.9(8) . . . . ?
C253 C263 C303 C313 -70.8(6) . . . . ?
C213 C263 C303 C313 107.5(6) . . . . ?
C253 C263 C303 C323 52.0(7) . . . . ?
C213 C263 C303 C323 -129.6(6) . . . . ?
C215 N214 C224 C234 153.0(4) . . . . ?
Co4 N214 C224 C234 -20.4(6) . . . . ?
C215 N214 C224 C214 -35.3(6) . . . . ?
Co4 N214 C224 C214 151.3(3) . . . . ?
C274 C214 C224 N214 -95.7(5) . . . . ?
C284 C214 C224 N214 146.0(5) . . . . ?
C264 C214 C224 N214 23.0(7) . . . . ?
C274 C214 C224 C234 76.5(5) . . . . ?
C284 C214 C224 C234 -41.8(6) . . . . ?
C264 C214 C224 C234 -164.8(4) . . . . ?
N214 C224 C234 C244 -7.8(8) . . . . ?
C214 C224 C234 C244 179.8(5) . . . . ?
C216 N224 C244 C234 175.4(4) . . . . ?
Co4 N224 C244 C234 0.2(6) . . . . ?
C216 N224 C244 C254 -6.1(7) . . . . ?
Co4 N224 C244 C254 178.7(3) . . . . ?
C224 C234 C244 N224 19.6(8) . . . . ?
C224 C234 C244 C254 -159.1(5) . . . . ?
N224 C244 C254 C304 123.1(5) . . . . ?
C234 C244 C254 C304 -58.3(6) . . . . ?
N224 C244 C254 C294 -117.5(5) . . . . ?
C234 C244 C254 C294 61.1(5) . . . . ?
N224 C244 C254 C314 2.4(7) . . . . ?
C234 C244 C254 C314 -179.0(4) . . . . ?
C224 N214 C215 C265 116.8(5) . . . . ?
Co4 N214 C215 C265 -70.1(5) . . . . ?
C224 N214 C215 C225 -67.5(6) . . . . ?
Co4 N214 C215 C225 105.6(4) . . . . ?
C265 C215 C225 C235 -7.5(7) . . . . ?
N214 C215 C225 C235 176.8(4) . . . . ?
C265 C215 C225 C275 169.0(4) . . . . ?
N214 C215 C225 C275 -6.8(7) . . . . ?
C215 C225 C235 C245 1.5(7) . . . . ?
C275 C225 C235 C245 -175.2(5) . . . . ?
C225 C235 C245 C255 3.7(8) . . . . ?
C235 C245 C255 C265 -3.0(8) . . . . ?
C245 C255 C265 C215 -2.9(7) . . . . ?
C245 C255 C265 C305 -179.7(4) . . . . ?
C225 C215 C265 C255 8.3(7) . . . . ?
N214 C215 C265 C255 -176.1(4) . . . . ?
C225 C215 C265 C305 -175.1(4) . . . . ?
N214 C215 C265 C305 0.5(7) . . . . ?
C235 C225 C275 C295 -58.8(6) . . . . ?
C215 C225 C275 C295 124.8(5) . . . . ?
C235 C225 C275 C285 65.2(6) . . . . ?
C215 C225 C275 C285 -111.2(5) . . . . ?
C255 C265 C305 C325 67.6(6) . . . . ?
C215 C265 C305 C325 -109.0(5) . . . . ?
C255 C265 C305 C315 -54.7(6) . . . . ?
C215 C265 C305 C315 128.7(5) . . . . ?
C244 N224 C216 C226 -87.9(5) . . . . ?
Co4 N224 C216 C226 87.6(4) . . . . ?
C244 N224 C216 C266 96.8(5) . . . . ?
Co4 N224 C216 C266 -87.8(4) . . . . ?
C266 C216 C226 C236 -6.4(7) . . . . ?
N224 C216 C226 C236 178.3(4) . . . . ?
C266 C216 C226 C276 171.1(4) . . . . ?
N224 C216 C226 C276 -4.2(7) . . . . ?
C216 C226 C236 C246 2.9(7) . . . . ?
C276 C226 C236 C246 -174.8(5) . . . . ?
C226 C236 C246 C256 1.8(8) . . . . ?
C236 C246 C256 C266 -3.0(8) . . . . ?
C246 C256 C266 C216 -0.4(7) . . . . ?
C246 C256 C266 C306 177.1(4) . . . . ?
C226 C216 C266 C256 5.2(7) . . . . ?
N224 C216 C266 C256 -179.6(4) . . . . ?
C226 C216 C266 C306 -172.3(4) . . . . ?
N224 C216 C266 C306 2.9(7) . . . . ?
C216 C226 C276 C286 -116.4(5) . . . . ?
C236 C226 C276 C286 61.1(6) . . . . ?
C216 C226 C276 C296 119.1(5) . . . . ?
C236 C226 C276 C296 -63.4(7) . . . . ?
C256 C266 C306 C316 -70.5(6) . . . . ?
C216 C266 C306 C316 106.9(5) . . . . ?
C256 C266 C306 C326 51.4(6) . . . . ?
C216 C266 C306 C326 -131.2(5) . . . . ?

_refine_diff_density_max         1.269
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.094

_shelxl_version_number           2012-5

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Hygroscopic,Oxygen-sensitive
####################################################################### 
# 
# 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 1829517'
_audit_update_record             
;
2018-03-13 deposited with the CCDC.
2018-10-23 downloaded from the CCDC.
;

_vrf_PLAT301_4                   
; 
PROBLEM: _G Note: Main Residue Disorder ................... 3 Perc. 
RESPONSE: The asymmetric bridging carbonate ligand is modeled as 
disordered over two positions (77:23), such that the hapticities are 
reversed in the two orientations. 
;

_vrf_PLAT860_4                   
; 
PROBLEM: _G Note: Number of Least-Squares Restraints ....... 15 
RESPONSE: Corresponding bond lengths and angles in the two orientations 
of the carbonate disorder were restrained to be similar. Anisotropic 
displacement parameters for pairs of near-isopositional atoms from the 
two orientations were constrained to be equivalent. 
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        bis(diketiminate-cobalt(II))(mu-carbonato)
_chemical_name_common            holma06
_chemical_melting_point          ?
_chemical_formula_moiety         'C71 H106 Co2 N4 O3'
_chemical_formula_sum            'C71 H106 Co2 N4 O3'
_chemical_formula_weight         1181.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 c 1'

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

_cell_length_a                   20.919(2)
_cell_length_b                   28.234(3)
_cell_length_c                   24.420(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.237(2)
_cell_angle_gamma                90.00
_cell_volume                     13152(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100.0(5)
_cell_measurement_reflns_used    3821
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      25.25

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5104
_exptl_absorpt_coefficient_mu    0.552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8431
_exptl_absorpt_correction_T_max  0.9468
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100.0(5)
_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 II CCD Platform'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            102642
_diffrn_reflns_av_R_equivalents  0.1037
_diffrn_reflns_av_sigmaI/netI    0.1308
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         29.57
_reflns_number_total             36193
_reflns_number_gt                22440
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'

_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. 
  
 The asymmetric bridging carbonate ligand is modeled as disordered over 
 two positions (77:23), such that the hapticities are reversed in the two 
 orientations. Corresponding bond lengths and angles in the two 
 orientations of the carbonate disorder were restrained to be similar. 
 Anisotropic displacement parameters for pairs of near-isopositional atoms 
 from the two orientations were constrained to be equivalent. 
  
 The structure was refined as an inversion twin, with a final twin 
 occupancy ratio of 87:13.,SQUEEZE
;

_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)+(0.0435P)²+0.0000P] 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_abs_structure_details 
'Flack H D (1983), 17737 Friedel pairs, Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(11)
_refine_ls_number_reflns         36193
_refine_ls_number_parameters     1511
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.1182
_refine_ls_R_factor_gt           0.0603
_refine_ls_wR_factor_ref         0.1260
_refine_ls_wR_factor_gt          0.1053
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_restrained_S_all      0.974
_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
Co1 Co 0.23386(3) 0.937523(18) 0.80356(2) 0.02305(12) Uani 1 1 d D . .
Co2 Co 0.35140(3) 0.794562(17) 0.79385(2) 0.02043(12) Uani 1 1 d D . .
C1 C 0.2679(4) 0.8466(2) 0.8095(3) 0.0241(14) Uani 0.765(10) 1 d PD A 1
O1 O 0.2232(3) 0.87197(14) 0.8192(4) 0.0333(14) Uani 0.765(10) 1 d PD A 1
O2 O 0.3140(3) 0.86507(17) 0.7934(2) 0.0336(14) Uani 0.765(10) 1 d PD A 1
O3 O 0.2698(3) 0.80100(18) 0.8151(4) 0.0243(11) Uani 0.765(10) 1 d PD A 1
C1' C 0.2632(11) 0.8561(9) 0.8071(8) 0.0241(14) Uani 0.235(10) 1 d PD A 5
O1' O 0.2076(12) 0.8725(4) 0.8101(18) 0.0333(14) Uani 0.235(10) 1 d PD A 5
O2' O 0.3005(8) 0.8850(4) 0.7924(9) 0.0336(14) Uani 0.235(10) 1 d PD A 5
O3' O 0.2771(12) 0.8125(7) 0.8189(15) 0.0243(11) Uani 0.235(10) 1 d PD A 5
N11 N 0.26756(15) 0.98194(11) 0.87027(14) 0.0202(7) Uani 1 1 d . A .
N21 N 0.16146(15) 0.97546(10) 0.74371(13) 0.0174(6) Uani 1 1 d . A .
C11 C 0.2399(2) 1.05139(13) 0.92543(17) 0.0238(8) Uani 1 1 d . A .
C21 C 0.22684(19) 1.01811(12) 0.87149(17) 0.0188(8) Uani 1 1 d . . .
C31 C 0.16500(19) 1.02847(12) 0.82112(16) 0.0198(8) Uani 1 1 d . A .
H31A H 0.1377 1.0521 0.8292 0.024 Uiso 1 1 calc R . .
C41 C 0.13359(18) 1.01222(13) 0.76129(16) 0.0185(8) Uani 1 1 d . . .
C51 C 0.06497(19) 1.03962(14) 0.72203(17) 0.0231(8) Uani 1 1 d . A .
C61 C 0.3074(2) 1.04480(15) 0.98360(17) 0.0305(10) Uani 1 1 d . . .
H61A H 0.3066 1.0666 1.0146 0.046 Uiso 1 1 calc R A .
H61B H 0.3485 1.0516 0.9752 0.046 Uiso 1 1 calc R . .
H61C H 0.3099 1.0121 0.9978 0.046 Uiso 1 1 calc R . .
C71 C 0.1781(2) 1.04546(14) 0.94433(18) 0.0283(9) Uani 1 1 d . . .
H71A H 0.1842 1.0673 0.9773 0.042 Uiso 1 1 calc R A .
H71B H 0.1771 1.0128 0.9576 0.042 Uiso 1 1 calc R . .
H71C H 0.1339 1.0525 0.9100 0.042 Uiso 1 1 calc R . .
C81 C 0.2423(2) 1.10310(13) 0.90640(18) 0.0270(9) Uani 1 1 d . . .
H81A H 0.2536 1.1239 0.9412 0.041 Uiso 1 1 calc R A .
H81B H 0.1965 1.1119 0.8752 0.041 Uiso 1 1 calc R . .
H81C H 0.2783 1.1064 0.8907 0.041 Uiso 1 1 calc R . .
C91 C 0.02673(19) 1.02648(14) 0.65544(17) 0.0268(9) Uani 1 1 d . . .
H91A H -0.0173 1.0442 0.6376 0.040 Uiso 1 1 calc R A .
H91B H 0.0167 0.9924 0.6518 0.040 Uiso 1 1 calc R . .
H91C H 0.0564 1.0344 0.6344 0.040 Uiso 1 1 calc R . .
C101 C 0.0824(2) 1.09310(13) 0.72376(18) 0.0278(9) Uani 1 1 d . . .
H10A H 0.0406 1.1104 0.6970 0.042 Uiso 1 1 calc R A .
H10B H 0.1202 1.0977 0.7105 0.042 Uiso 1 1 calc R . .
H10C H 0.0972 1.1050 0.7649 0.042 Uiso 1 1 calc R . .
C111 C 0.0126(2) 1.03181(15) 0.75062(19) 0.0294(9) Uani 1 1 d . . .
H11A H -0.0301 1.0501 0.7286 0.044 Uiso 1 1 calc R A .
H11B H 0.0337 1.0422 0.7926 0.044 Uiso 1 1 calc R . .
H11C H 0.0008 0.9981 0.7489 0.044 Uiso 1 1 calc R . .
C12 C 0.3359(2) 0.97252(14) 0.91595(17) 0.0229(9) Uani 1 1 d . . .
C22 C 0.3934(2) 0.99771(15) 0.91623(18) 0.0283(9) Uani 1 1 d . A .
C32 C 0.4598(2) 0.98613(16) 0.9583(2) 0.0366(11) Uani 1 1 d . . .
H32A H 0.4995 1.0029 0.9589 0.044 Uiso 1 1 calc R A .
C42 C 0.4688(2) 0.95072(17) 0.9990(2) 0.0386(11) Uani 1 1 d . A .
H42A H 0.5146 0.9435 1.0279 0.046 Uiso 1 1 calc R . .
C52 C 0.4126(2) 0.92558(15) 0.99874(18) 0.0324(11) Uani 1 1 d . . .
H52A H 0.4200 0.9014 1.0277 0.039 Uiso 1 1 calc R A .
C62 C 0.3446(2) 0.93503(14) 0.95647(18) 0.0269(9) Uani 1 1 d . A .
C72 C 0.3854(2) 1.03656(15) 0.8712(2) 0.0327(10) Uani 1 1 d . . .
H72A H 0.3356 1.0476 0.8551 0.039 Uiso 1 1 calc R A .
C82 C 0.3983(3) 1.01732(19) 0.8184(2) 0.0511(13) Uani 1 1 d . A .
H82A H 0.3663 0.9908 0.8001 0.077 Uiso 1 1 calc R . .
H82B H 0.4469 1.0063 0.8325 0.077 Uiso 1 1 calc R . .
H82C H 0.3900 1.0424 0.7885 0.077 Uiso 1 1 calc R . .
C92 C 0.4316(3) 1.07934(17) 0.8985(2) 0.0489(13) Uani 1 1 d . A .
H92A H 0.4186 1.1051 0.8690 0.073 Uiso 1 1 calc R . .
H92B H 0.4808 1.0708 0.9099 0.073 Uiso 1 1 calc R . .
H92C H 0.4251 1.0897 0.9341 0.073 Uiso 1 1 calc R . .
C102 C 0.2858(2) 0.90608(14) 0.95972(18) 0.0272(9) Uani 1 1 d . . .
H10D H 0.2425 0.9131 0.9229 0.033 Uiso 1 1 calc R A .
C112 C 0.2708(3) 0.91785(16) 1.0142(2) 0.0418(12) Uani 1 1 d . A .
H11D H 0.2546 0.9507 1.0113 0.063 Uiso 1 1 calc R . .
H11E H 0.3136 0.9139 1.0509 0.063 Uiso 1 1 calc R . .
H11F H 0.2343 0.8966 1.0153 0.063 Uiso 1 1 calc R . .
C122 C 0.3004(2) 0.85304(14) 0.9601(2) 0.0366(11) Uani 1 1 d . A .
H12A H 0.3135 0.8454 0.9269 0.055 Uiso 1 1 calc R . .
H12B H 0.2582 0.8353 0.9554 0.055 Uiso 1 1 calc R . .
H12C H 0.3389 0.8444 0.9983 0.055 Uiso 1 1 calc R . .
C13 C 0.13698(19) 0.95882(13) 0.68224(16) 0.0185(8) Uani 1 1 d . . .
C23 C 0.0926(2) 0.91906(13) 0.66392(17) 0.0234(8) Uani 1 1 d . A .
C33 C 0.0722(2) 0.90380(14) 0.60446(18) 0.0265(9) Uani 1 1 d . . .
H33A H 0.0412 0.8776 0.5905 0.032 Uiso 1 1 calc R A .
C43 C 0.0955(2) 0.92527(14) 0.56618(18) 0.0284(9) Uani 1 1 d . A .
H43A H 0.0810 0.9138 0.5263 0.034 Uiso 1 1 calc R . .
C53 C 0.1398(2) 0.96343(14) 0.58501(17) 0.0258(9) Uani 1 1 d . . .
H53A H 0.1560 0.9780 0.5580 0.031 Uiso 1 1 calc R A .
C63 C 0.16154(19) 0.98121(13) 0.64332(17) 0.0212(8) Uani 1 1 d . A .
C73 C 0.0652(2) 0.89309(14) 0.70393(19) 0.0319(10) Uani 1 1 d . . .
H73A H 0.0896 0.9058 0.7456 0.038 Uiso 1 1 calc R A .
C83 C -0.0143(2) 0.89966(17) 0.6838(2) 0.0431(12) Uani 1 1 d . A .
H83A H -0.0249 0.9334 0.6842 0.065 Uiso 1 1 calc R . .
H83B H -0.0295 0.8826 0.7114 0.065 Uiso 1 1 calc R . .
H83C H -0.0391 0.8871 0.6431 0.065 Uiso 1 1 calc R . .
C93 C 0.0808(3) 0.84008(15) 0.7053(2) 0.0435(12) Uani 1 1 d . A .
H93A H 0.1313 0.8353 0.7183 0.065 Uiso 1 1 calc R . .
H93B H 0.0558 0.8267 0.6650 0.065 Uiso 1 1 calc R . .
H93C H 0.0653 0.8242 0.7334 0.065 Uiso 1 1 calc R . .
C103 C 0.2115(2) 1.02341(14) 0.66066(17) 0.0239(8) Uani 1 1 d . . .
H10E H 0.2189 1.0335 0.7021 0.029 Uiso 1 1 calc R A .
C113 C 0.2828(2) 1.00970(16) 0.6621(2) 0.0345(10) Uani 1 1 d . A .
H11G H 0.3031 0.9841 0.6911 0.052 Uiso 1 1 calc R . .
H11H H 0.3140 1.0372 0.6738 0.052 Uiso 1 1 calc R . .
H11I H 0.2769 0.9990 0.6221 0.052 Uiso 1 1 calc R . .
C123 C 0.1822(2) 1.06543(14) 0.61916(19) 0.0317(10) Uani 1 1 d . A .
H12D H 0.1373 1.0749 0.6195 0.047 Uiso 1 1 calc R . .
H12E H 0.1750 1.0566 0.5782 0.047 Uiso 1 1 calc R . .
H12F H 0.2152 1.0919 0.6329 0.047 Uiso 1 1 calc R . .
N14 N 0.33542(15) 0.75605(10) 0.72307(13) 0.0181(6) Uani 1 1 d . A .
N24 N 0.44074(16) 0.76696(11) 0.84636(14) 0.0212(7) Uani 1 1 d . A .
C14 C 0.3719(2) 0.69360(14) 0.66486(18) 0.0256(9) Uani 1 1 d . A .
C24 C 0.38138(19) 0.72479(13) 0.72055(16) 0.0190(8) Uani 1 1 d . . .
C34 C 0.44530(19) 0.71685(13) 0.76970(17) 0.0232(8) Uani 1 1 d . A .
H34A H 0.4751 0.6953 0.7615 0.028 Uiso 1 1 calc R . .
C44 C 0.47418(19) 0.73444(13) 0.82874(17) 0.0212(8) Uani 1 1 d . . .
C54 C 0.5465(2) 0.71136(15) 0.86810(17) 0.0269(9) Uani 1 1 d . A .
C64 C 0.4318(2) 0.70536(16) 0.64632(19) 0.0365(11) Uani 1 1 d . . .
H64A H 0.4294 0.6842 0.6138 0.055 Uiso 1 1 calc R A .
H64B H 0.4768 0.7011 0.6808 0.055 Uiso 1 1 calc R . .
H64C H 0.4273 0.7383 0.6325 0.055 Uiso 1 1 calc R . .
C74 C 0.3039(2) 0.69916(14) 0.60737(17) 0.0282(9) Uani 1 1 d . . .
H74A H 0.3065 0.6791 0.5756 0.042 Uiso 1 1 calc R A .
H74B H 0.2984 0.7323 0.5944 0.042 Uiso 1 1 calc R . .
H74C H 0.2637 0.6896 0.6156 0.042 Uiso 1 1 calc R . .
C84 C 0.3764(2) 0.64149(14) 0.68309(19) 0.0345(10) Uani 1 1 d . . .
H84A H 0.3703 0.6215 0.6485 0.052 Uiso 1 1 calc R A .
H84B H 0.3394 0.6344 0.6967 0.052 Uiso 1 1 calc R . .
H84C H 0.4223 0.6352 0.7157 0.052 Uiso 1 1 calc R . .
C94 C 0.5360(2) 0.65747(15) 0.8695(2) 0.0364(11) Uani 1 1 d . . .
H94A H 0.5810 0.6423 0.8933 0.055 Uiso 1 1 calc R A .
H94B H 0.5172 0.6450 0.8284 0.055 Uiso 1 1 calc R . .
H94C H 0.5029 0.6508 0.8876 0.055 Uiso 1 1 calc R . .
C104 C 0.5844(2) 0.72688(17) 0.93359(18) 0.0359(11) Uani 1 1 d . . .
H10F H 0.6273 0.7082 0.9532 0.054 Uiso 1 1 calc R A .
H10G H 0.5537 0.7218 0.9544 0.054 Uiso 1 1 calc R . .
H10H H 0.5964 0.7606 0.9352 0.054 Uiso 1 1 calc R . .
C114 C 0.5972(2) 0.72193(17) 0.8385(2) 0.0400(11) Uani 1 1 d . . .
H11J H 0.6433 0.7083 0.8629 0.060 Uiso 1 1 calc R A .
H11K H 0.6018 0.7563 0.8355 0.060 Uiso 1 1 calc R . .
H11L H 0.5790 0.7080 0.7982 0.060 Uiso 1 1 calc R . .
C15 C 0.26547(19) 0.76346(13) 0.67847(16) 0.0193(8) Uani 1 1 d . . .
C25 C 0.2106(2) 0.73538(13) 0.67893(17) 0.0219(8) Uani 1 1 d . A .
C35 C 0.1433(2) 0.74501(14) 0.63709(18) 0.0251(9) Uani 1 1 d . . .
H35A H 0.1056 0.7261 0.6367 0.030 Uiso 1 1 calc R A .
C45 C 0.1294(2) 0.78096(16) 0.59626(19) 0.0315(10) Uani 1 1 d . A .
H45A H 0.0828 0.7866 0.5679 0.038 Uiso 1 1 calc R . .
C55 C 0.1832(2) 0.80866(14) 0.59667(18) 0.0255(9) Uani 1 1 d . . .
H55A H 0.1732 0.8339 0.5687 0.031 Uiso 1 1 calc R A .
C65 C 0.2523(2) 0.80082(13) 0.63705(17) 0.0180(8) Uani 1 1 d . A .
C75 C 0.2225(2) 0.69414(13) 0.72254(17) 0.0255(9) Uani 1 1 d . . .
H75A H 0.2742 0.6902 0.7457 0.031 Uiso 1 1 calc R A .
C85 C 0.1901(2) 0.70403(15) 0.76759(19) 0.0338(10) Uani 1 1 d . A .
H85A H 0.2086 0.7339 0.7884 0.051 Uiso 1 1 calc R . .
H85B H 0.2020 0.6782 0.7969 0.051 Uiso 1 1 calc R . .
H85C H 0.1390 0.7063 0.7461 0.051 Uiso 1 1 calc R . .
C95 C 0.1934(3) 0.64757(15) 0.6903(2) 0.0406(11) Uani 1 1 d . A .
H95A H 0.2130 0.6414 0.6608 0.061 Uiso 1 1 calc R . .
H95B H 0.1422 0.6497 0.6698 0.061 Uiso 1 1 calc R . .
H95C H 0.2063 0.6217 0.7197 0.061 Uiso 1 1 calc R . .
C105 C 0.3103(2) 0.83132(14) 0.63427(18) 0.0253(9) Uani 1 1 d . . .
H10I H 0.3560 0.8176 0.6626 0.030 Uiso 1 1 calc R A .
C115 C 0.3101(3) 0.83206(16) 0.5722(2) 0.0387(11) Uani 1 1 d . A .
H11M H 0.3162 0.7998 0.5604 0.058 Uiso 1 1 calc R . .
H11N H 0.3486 0.8520 0.5726 0.058 Uiso 1 1 calc R . .
H11O H 0.2654 0.8449 0.5433 0.058 Uiso 1 1 calc R . .
C125 C 0.3059(2) 0.88179(15) 0.6544(2) 0.0375(11) Uani 1 1 d . A .
H12G H 0.3122 0.8816 0.6964 0.056 Uiso 1 1 calc R . .
H12H H 0.2599 0.8952 0.6293 0.056 Uiso 1 1 calc R . .
H12I H 0.3427 0.9011 0.6504 0.056 Uiso 1 1 calc R . .
C16 C 0.46558(18) 0.78621(13) 0.90602(16) 0.0191(8) Uani 1 1 d . . .
C26 C 0.5076(2) 0.82711(14) 0.91968(17) 0.0259(9) Uani 1 1 d . A .
C36 C 0.5300(2) 0.84569(14) 0.97723(18) 0.0276(9) Uani 1 1 d . . .
H36A H 0.5594 0.8728 0.9876 0.033 Uiso 1 1 calc R A .
C46 C 0.5106(2) 0.82577(14) 1.01943(18) 0.0286(9) Uani 1 1 d . A .
H46A H 0.5261 0.8394 1.0583 0.034 Uiso 1 1 calc R . .
C56 C 0.4685(2) 0.78568(13) 1.00530(17) 0.0248(9) Uani 1 1 d . . .
H56A H 0.4551 0.7720 1.0346 0.030 Uiso 1 1 calc R A .
C66 C 0.44555(18) 0.76526(12) 0.94822(16) 0.0182(8) Uani 1 1 d . A .
C76 C 0.5291(2) 0.85058(15) 0.8741(2) 0.0349(10) Uani 1 1 d . . .
H76A H 0.5193 0.8279 0.8402 0.042 Uiso 1 1 calc R A .
C86 C 0.6070(3) 0.8630(2) 0.8996(3) 0.0581(15) Uani 1 1 d . A .
H86A H 0.6188 0.8754 0.8675 0.087 Uiso 1 1 calc R . .
H86B H 0.6348 0.8345 0.9167 0.087 Uiso 1 1 calc R . .
H86C H 0.6173 0.8870 0.9311 0.087 Uiso 1 1 calc R . .
C96 C 0.4858(3) 0.89516(19) 0.8486(2) 0.0567(15) Uani 1 1 d . A .
H96A H 0.5006 0.9098 0.8194 0.085 Uiso 1 1 calc R . .
H96B H 0.4929 0.9175 0.8813 0.085 Uiso 1 1 calc R . .
H96C H 0.4360 0.8867 0.8288 0.085 Uiso 1 1 calc R . .
C106 C 0.40141(19) 0.72021(13) 0.93608(17) 0.0227(8) Uani 1 1 d . . .
H10J H 0.3960 0.7076 0.8961 0.027 Uiso 1 1 calc R A .
C116 C 0.4368(2) 0.68157(14) 0.98304(18) 0.0300(9) Uani 1 1 d . A .
H11P H 0.4832 0.6746 0.9842 0.045 Uiso 1 1 calc R . .
H11Q H 0.4080 0.6528 0.9723 0.045 Uiso 1 1 calc R . .
H11R H 0.4417 0.6926 1.0226 0.045 Uiso 1 1 calc R . .
C126 C 0.3282(2) 0.73052(15) 0.93249(19) 0.0311(10) Uani 1 1 d . A .
H12J H 0.3058 0.7549 0.9020 0.047 Uiso 1 1 calc R . .
H12K H 0.3318 0.7418 0.9716 0.047 Uiso 1 1 calc R . .
H12L H 0.3001 0.7015 0.9216 0.047 Uiso 1 1 calc R . .
Co3 Co 0.72534(2) 0.925665(16) 0.79820(2) 0.01755(11) Uani 1 1 d . . .
Co4 Co 0.86263(2) 0.807100(17) 0.79970(2) 0.01861(11) Uani 1 1 d . . .
C2 C 0.76810(19) 0.84410(13) 0.81903(16) 0.0198(8) Uani 1 1 d . . .
O4 O 0.71889(13) 0.86235(8) 0.82939(11) 0.0228(6) Uani 1 1 d . . .
O5 O 0.80021(14) 0.87150(9) 0.79434(12) 0.0209(5) Uani 1 1 d . . .
O6 O 0.78905(13) 0.80183(8) 0.83062(12) 0.0235(6) Uani 1 1 d . . .
N311 N 0.73912(15) 0.98049(10) 0.85040(13) 0.0172(6) Uani 1 1 d . . .
N321 N 0.64937(15) 0.95042(10) 0.72632(13) 0.0178(6) Uani 1 1 d . . .
C311 C 0.6758(2) 1.04316(13) 0.88751(17) 0.0237(9) Uani 1 1 d . . .
C321 C 0.68339(18) 1.00746(12) 0.84169(16) 0.0186(8) Uani 1 1 d . . .
C331 C 0.62224(18) 1.00456(13) 0.78878(16) 0.0202(8) Uani 1 1 d . . .
H33B H 0.5839 1.0214 0.7907 0.024 Uiso 1 1 calc R . .
C341 C 0.60581(18) 0.98189(12) 0.73334(16) 0.0185(8) Uani 1 1 d . . .
C351 C 0.5326(2) 0.99780(13) 0.68393(17) 0.0251(8) Uani 1 1 d . . .
C361 C 0.7413(2) 1.05538(14) 0.94507(18) 0.0276(9) Uani 1 1 d . . .
H36B H 0.7278 1.0763 0.9705 0.041 Uiso 1 1 calc R . .
H36C H 0.7759 1.0714 0.9341 0.041 Uiso 1 1 calc R . .
H36D H 0.7616 1.0262 0.9670 0.041 Uiso 1 1 calc R . .
C371 C 0.6221(2) 1.02088(17) 0.9084(2) 0.0391(11) Uani 1 1 d . . .
H37A H 0.6088 1.0442 0.9315 0.059 Uiso 1 1 calc R . .
H37B H 0.6432 0.9933 0.9337 0.059 Uiso 1 1 calc R . .
H37C H 0.5804 1.0110 0.8733 0.059 Uiso 1 1 calc R . .
C381 C 0.6467(3) 1.09071(15) 0.8569(2) 0.0451(13) Uani 1 1 d . . .
H38A H 0.6468 1.1136 0.8871 0.068 Uiso 1 1 calc R . .
H38B H 0.5986 1.0863 0.8268 0.068 Uiso 1 1 calc R . .
H38C H 0.6760 1.1026 0.8373 0.068 Uiso 1 1 calc R . .
C391 C 0.50667(19) 0.97555(14) 0.62149(16) 0.0268(9) Uani 1 1 d . . .
H39A H 0.4603 0.9883 0.5961 0.040 Uiso 1 1 calc R . .
H39B H 0.5034 0.9411 0.6248 0.040 Uiso 1 1 calc R . .
H39C H 0.5396 0.9829 0.6035 0.040 Uiso 1 1 calc R . .
C401 C 0.5356(2) 1.05171(15) 0.67625(19) 0.0386(11) Uani 1 1 d . . .
H40A H 0.4913 1.0626 0.6448 0.058 Uiso 1 1 calc R . .
H40B H 0.5742 1.0594 0.6649 0.058 Uiso 1 1 calc R . .
H40C H 0.5433 1.0675 0.7142 0.058 Uiso 1 1 calc R . .
C411 C 0.4766(2) 0.98630(19) 0.7075(2) 0.0439(12) Uani 1 1 d . . .
H41A H 0.4301 0.9943 0.6767 0.066 Uiso 1 1 calc R . .
H41B H 0.4856 1.0048 0.7439 0.066 Uiso 1 1 calc R . .
H41C H 0.4782 0.9525 0.7169 0.066 Uiso 1 1 calc R . .
C312 C 0.80720(18) 0.98822(12) 0.89794(16) 0.0186(8) Uani 1 1 d . . .
C322 C 0.8501(2) 1.02429(12) 0.89128(17) 0.0207(8) Uani 1 1 d . . .
C332 C 0.9160(2) 1.03034(14) 0.93729(19) 0.0263(9) Uani 1 1 d . . .
H33C H 0.9458 1.0544 0.9337 0.032 Uiso 1 1 calc R . .
C342 C 0.9398(2) 1.00226(14) 0.98823(18) 0.0273(9) Uani 1 1 d . . .
H34B H 0.9848 1.0073 1.0195 0.033 Uiso 1 1 calc R . .
C352 C 0.8971(2) 0.96692(14) 0.99284(18) 0.0251(9) Uani 1 1 d . . .
H35B H 0.9138 0.9473 1.0275 0.030 Uiso 1 1 calc R . .
C362 C 0.83064(19) 0.95888(13) 0.94879(16) 0.0188(8) Uani 1 1 d . . .
C372 C 0.8264(2) 1.05490(13) 0.83568(18) 0.0266(9) Uani 1 1 d . . .
H37D H 0.7746 1.0508 0.8133 0.032 Uiso 1 1 calc R . .
C382 C 0.8409(2) 1.10723(14) 0.8493(2) 0.0404(11) Uani 1 1 d . . .
H38D H 0.8217 1.1253 0.8118 0.061 Uiso 1 1 calc R . .
H38E H 0.8917 1.1124 0.8694 0.061 Uiso 1 1 calc R . .
H38F H 0.8188 1.1178 0.8756 0.061 Uiso 1 1 calc R . .
C392 C 0.8607(3) 1.03897(16) 0.7949(2) 0.0485(13) Uani 1 1 d . . .
H39D H 0.8509 1.0053 0.7854 0.073 Uiso 1 1 calc R . .
H39E H 0.9115 1.0438 0.8153 0.073 Uiso 1 1 calc R . .
H39F H 0.8420 1.0575 0.7578 0.073 Uiso 1 1 calc R . .
C402 C 0.7858(2) 0.92030(13) 0.95800(17) 0.0216(8) Uani 1 1 d . . .
H40D H 0.7406 0.9189 0.9215 0.026 Uiso 1 1 calc R . .
C412 C 0.7694(2) 0.93027(15) 1.01261(19) 0.0325(10) Uani 1 1 d . . .
H41D H 0.7445 0.9605 1.0070 0.049 Uiso 1 1 calc R . .
H41E H 0.8133 0.9319 1.0489 0.049 Uiso 1 1 calc R . .
H41F H 0.7400 0.9048 1.0169 0.049 Uiso 1 1 calc R . .
C422 C 0.8216(2) 0.87195(13) 0.96591(18) 0.0272(9) Uani 1 1 d . . .
H42B H 0.8402 0.8679 0.9353 0.041 Uiso 1 1 calc R . .
H42C H 0.7874 0.8469 0.9615 0.041 Uiso 1 1 calc R . .
H42D H 0.8601 0.8700 1.0059 0.041 Uiso 1 1 calc R . .
C313 C 0.63862(18) 0.92882(13) 0.66965(17) 0.0196(8) Uani 1 1 d . . .
C323 C 0.60590(19) 0.88453(13) 0.65542(17) 0.0227(8) Uani 1 1 d . . .
C333 C 0.5932(2) 0.86552(14) 0.59935(18) 0.0282(9) Uani 1 1 d . . .
H33D H 0.5705 0.8356 0.5887 0.034 Uiso 1 1 calc R . .
C343 C 0.6123(2) 0.88858(15) 0.55874(18) 0.0311(10) Uani 1 1 d . . .
H34C H 0.6010 0.8756 0.5200 0.037 Uiso 1 1 calc R . .
C353 C 0.6483(2) 0.93107(14) 0.57522(17) 0.0269(9) Uani 1 1 d . . .
H35C H 0.6635 0.9464 0.5480 0.032 Uiso 1 1 calc R . .
C363 C 0.66293(19) 0.95183(13) 0.63082(17) 0.0229(8) Uani 1 1 d . . .
C373 C 0.58352(19) 0.85605(13) 0.69767(19) 0.0243(9) Uani 1 1 d . . .
H37E H 0.6002 0.8733 0.7369 0.029 Uiso 1 1 calc R . .
C383 C 0.5046(2) 0.84955(17) 0.6750(2) 0.0449(13) Uani 1 1 d . . .
H38G H 0.4819 0.8806 0.6695 0.067 Uiso 1 1 calc R . .
H38H H 0.4941 0.8312 0.7044 0.067 Uiso 1 1 calc R . .
H38I H 0.4869 0.8326 0.6366 0.067 Uiso 1 1 calc R . .
C393 C 0.6187(2) 0.80739(14) 0.7093(2) 0.0345(10) Uani 1 1 d . . .
H39G H 0.6687 0.8111 0.7185 0.052 Uiso 1 1 calc R . .
H39H H 0.5966 0.7875 0.6735 0.052 Uiso 1 1 calc R . .
H39I H 0.6134 0.7924 0.7434 0.052 Uiso 1 1 calc R . .
C403 C 0.7063(2) 0.99691(13) 0.64730(18) 0.0247(9) Uani 1 1 d . . .
H40E H 0.7104 1.0075 0.6877 0.030 Uiso 1 1 calc R . .
C413 C 0.7799(2) 0.98815(15) 0.6512(2) 0.0356(10) Uani 1 1 d . . .
H41G H 0.8029 0.9637 0.6814 0.053 Uiso 1 1 calc R . .
H41H H 0.8071 1.0176 0.6626 0.053 Uiso 1 1 calc R . .
H41I H 0.7770 0.9775 0.6120 0.053 Uiso 1 1 calc R . .
C423 C 0.6712(2) 1.03656(14) 0.6023(2) 0.0353(10) Uani 1 1 d . . .
H42E H 0.6255 1.0439 0.6024 0.053 Uiso 1 1 calc R . .
H42F H 0.6648 1.0263 0.5620 0.053 Uiso 1 1 calc R . .
H42G H 0.7010 1.0649 0.6136 0.053 Uiso 1 1 calc R . .
N314 N 0.86176(15) 0.76278(10) 0.73806(13) 0.0176(7) Uani 1 1 d . . .
N324 N 0.95992(15) 0.79842(10) 0.85526(13) 0.0175(6) Uani 1 1 d . . .
C314 C 0.92487(19) 0.70568(13) 0.69288(17) 0.0239(8) Uani 1 1 d . . .
C324 C 0.92036(19) 0.74170(12) 0.74009(16) 0.0192(8) Uani 1 1 d . . .
C334 C 0.98580(18) 0.74965(13) 0.78781(16) 0.0215(8) Uani 1 1 d . . .
H33E H 1.0240 0.7369 0.7811 0.026 Uiso 1 1 calc R . .
C344 C 1.00620(18) 0.77254(12) 0.84326(16) 0.0187(8) Uani 1 1 d . . .
C354 C 1.0847(2) 0.76430(13) 0.88527(18) 0.0244(8) Uani 1 1 d . . .
C364 C 0.8571(2) 0.69119(15) 0.63981(19) 0.0322(10) Uani 1 1 d . . .
H36E H 0.8680 0.6682 0.6148 0.048 Uiso 1 1 calc R . .
H36F H 0.8352 0.7192 0.6158 0.048 Uiso 1 1 calc R . .
H36G H 0.8248 0.6769 0.6549 0.048 Uiso 1 1 calc R . .
C374 C 0.9720(2) 0.72712(15) 0.66511(18) 0.0313(10) Uani 1 1 d . . .
H37F H 0.9797 0.7038 0.6388 0.047 Uiso 1 1 calc R . .
H37G H 1.0172 0.7361 0.6971 0.047 Uiso 1 1 calc R . .
H37H H 0.9493 0.7553 0.6417 0.047 Uiso 1 1 calc R . .
C384 C 0.9579(2) 0.65997(15) 0.7261(2) 0.0355(10) Uani 1 1 d . . .
H38J H 0.9560 0.6356 0.6969 0.053 Uiso 1 1 calc R . .
H38K H 0.9320 0.6491 0.7492 0.053 Uiso 1 1 calc R . .
H38L H 1.0068 0.6659 0.7533 0.053 Uiso 1 1 calc R . .
C394 C 1.1295(2) 0.78661(17) 0.85493(19) 0.0375(11) Uani 1 1 d . . .
H39J H 1.1793 0.7812 0.8801 0.056 Uiso 1 1 calc R . .
H39K H 1.1203 0.8207 0.8500 0.056 Uiso 1 1 calc R . .
H39L H 1.1173 0.7720 0.8155 0.056 Uiso 1 1 calc R . .
C404 C 1.11389(19) 0.78437(14) 0.94903(17) 0.0262(9) Uani 1 1 d . . .
H40F H 1.1630 0.7749 0.9704 0.039 Uiso 1 1 calc R . .
H40G H 1.0866 0.7721 0.9703 0.039 Uiso 1 1 calc R . .
H40H H 1.1108 0.8190 0.9473 0.039 Uiso 1 1 calc R . .
C414 C 1.0989(2) 0.71108(15) 0.8921(2) 0.0401(11) Uani 1 1 d . . .
H41J H 1.1466 0.7055 0.9223 0.060 Uiso 1 1 calc R . .
H41K H 1.0939 0.6977 0.8536 0.060 Uiso 1 1 calc R . .
H41L H 1.0652 0.6959 0.9050 0.060 Uiso 1 1 calc R . .
C315 C 0.79320(19) 0.75199(12) 0.69473(17) 0.0196(8) Uani 1 1 d . . .
C325 C 0.75316(19) 0.71776(13) 0.70684(17) 0.0211(8) Uani 1 1 d . . .
C335 C 0.6863(2) 0.70773(14) 0.66342(19) 0.0272(9) Uani 1 1 d . . .
H33F H 0.6591 0.6837 0.6708 0.033 Uiso 1 1 calc R . .
C345 C 0.6592(2) 0.73217(14) 0.60991(19) 0.0313(10) Uani 1 1 d . . .
H34D H 0.6137 0.7248 0.5805 0.038 Uiso 1 1 calc R . .
C355 C 0.6982(2) 0.76727(14) 0.59914(18) 0.0276(9) Uani 1 1 d . . .
H35D H 0.6787 0.7842 0.5623 0.033 Uiso 1 1 calc R . .
C365 C 0.76539(19) 0.77858(13) 0.64068(17) 0.0207(8) Uani 1 1 d . . .
C375 C 0.7801(2) 0.68969(14) 0.76561(18) 0.0270(9) Uani 1 1 d . . .
H37I H 0.8278 0.7020 0.7920 0.032 Uiso 1 1 calc R . .
C385 C 0.7321(2) 0.69710(14) 0.7982(2) 0.0313(9) Uani 1 1 d . . .
H38M H 0.7254 0.7311 0.8020 0.047 Uiso 1 1 calc R . .
H38N H 0.7535 0.6828 0.8383 0.047 Uiso 1 1 calc R . .
H38O H 0.6866 0.6821 0.7752 0.047 Uiso 1 1 calc R . .
C395 C 0.7866(2) 0.63717(14) 0.7558(2) 0.0363(11) Uani 1 1 d . . .
H39M H 0.8164 0.6326 0.7341 0.054 Uiso 1 1 calc R . .
H39N H 0.7399 0.6240 0.7322 0.054 Uiso 1 1 calc R . .
H39O H 0.8075 0.6211 0.7947 0.054 Uiso 1 1 calc R . .
C405 C 0.8091(2) 0.81597(14) 0.62738(17) 0.0248(9) Uani 1 1 d . . .
H40I H 0.8590 0.8051 0.6460 0.030 Uiso 1 1 calc R . .
C415 C 0.8058(2) 0.86305(14) 0.65619(19) 0.0293(10) Uani 1 1 d . . .
H41M H 0.8273 0.8597 0.7000 0.044 Uiso 1 1 calc R . .
H41N H 0.7567 0.8727 0.6431 0.044 Uiso 1 1 calc R . .
H41O H 0.8310 0.8871 0.6440 0.044 Uiso 1 1 calc R . .
C425 C 0.7897(3) 0.82268(16) 0.56084(19) 0.0388(11) Uani 1 1 d . . .
H42H H 0.7915 0.7921 0.5426 0.058 Uiso 1 1 calc R . .
H42I H 0.8228 0.8446 0.5553 0.058 Uiso 1 1 calc R . .
H42J H 0.7421 0.8356 0.5416 0.058 Uiso 1 1 calc R . .
C316 C 0.97558(18) 0.82003(13) 0.91302(16) 0.0181(8) Uani 1 1 d . . .
C326 C 1.00204(18) 0.86660(13) 0.92307(17) 0.0203(8) Uani 1 1 d . . .
C336 C 1.01822(19) 0.88640(14) 0.97897(19) 0.0282(9) Uani 1 1 d . . .
H33G H 1.0359 0.9178 0.9867 0.034 Uiso 1 1 calc R . .
C346 C 1.0090(2) 0.86123(15) 1.02398(18) 0.0282(9) Uani 1 1 d . . .
H34E H 1.0226 0.8748 1.0627 0.034 Uiso 1 1 calc R . .
C356 C 0.9802(2) 0.81634(14) 1.01229(17) 0.0251(9) Uani 1 1 d . . .
H35E H 0.9728 0.7996 1.0430 0.030 Uiso 1 1 calc R . .
C366 C 0.96167(19) 0.79509(13) 0.95622(17) 0.0195(8) Uani 1 1 d . . .
C376 C 1.0130(2) 0.89455(14) 0.8746(2) 0.0304(10) Uani 1 1 d . . .
H37J H 1.0110 0.8718 0.8425 0.037 Uiso 1 1 calc R . .
C386 C 0.9552(2) 0.93023(15) 0.8467(2) 0.0362(11) Uani 1 1 d . . .
H38P H 0.9099 0.9139 0.8305 0.054 Uiso 1 1 calc R . .
H38Q H 0.9618 0.9468 0.8141 0.054 Uiso 1 1 calc R . .
H38R H 0.9564 0.9532 0.8772 0.054 Uiso 1 1 calc R . .
C396 C 1.0839(2) 0.91966(17) 0.8975(3) 0.0533(15) Uani 1 1 d . . .
H39P H 1.1214 0.8968 0.9179 0.080 Uiso 1 1 calc R . .
H39Q H 1.0851 0.9447 0.9257 0.080 Uiso 1 1 calc R . .
H39R H 1.0907 0.9337 0.8635 0.080 Uiso 1 1 calc R . .
C406 C 0.9288(2) 0.74633(13) 0.94585(18) 0.0250(9) Uani 1 1 d . . .
H40J H 0.9171 0.7371 0.9033 0.030 Uiso 1 1 calc R . .
C416 C 0.9799(2) 0.70948(15) 0.9869(2) 0.0485(13) Uani 1 1 d . . .
H41P H 1.0235 0.7102 0.9811 0.073 Uiso 1 1 calc R . .
H41S H 0.9588 0.6779 0.9769 0.073 Uiso 1 1 calc R . .
H41Q H 0.9899 0.7168 1.0288 0.073 Uiso 1 1 calc R . .
C426 C 0.8619(2) 0.74477(15) 0.9558(2) 0.0350(11) Uani 1 1 d . . .
H42N H 0.8278 0.7671 0.9285 0.052 Uiso 1 1 calc R . .
H42K H 0.8723 0.7535 0.9974 0.052 Uiso 1 1 calc R . .
H42L H 0.8424 0.7127 0.9479 0.052 Uiso 1 1 calc R . .


_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
Co1 O1 1.921(4) . ?
Co1 N21 1.939(3) . ?
Co1 O1' 1.942(8) . ?
Co1 N11 1.945(3) . ?
Co1 O2' 2.127(9) . ?
Co1 C1' 2.37(3) . ?
Co2 N24 1.943(3) . ?
Co2 N14 1.951(3) . ?
Co2 O3' 1.957(8) . ?
Co2 O3 1.985(3) . ?
Co2 O2 2.138(5) . ?
Co2 C1 2.430(9) . ?
C1 O1 1.276(8) . ?
C1 O2 1.290(7) . ?
C1 O3 1.294(7) . ?
C1' O3' 1.27(2) . ?
C1' O2' 1.279(15) . ?
C1' O1' 1.28(2) . ?
N11 C21 1.338(4) . ?
N11 C12 1.431(5) . ?
N21 C41 1.344(4) . ?
N21 C13 1.451(5) . ?
C11 C81 1.539(5) . ?
C11 C21 1.548(5) . ?
C11 C61 1.550(5) . ?
C11 C71 1.550(5) . ?
C21 C31 1.402(5) . ?
C31 C41 1.410(5) . ?
C31 H31A 0.9500 . ?
C41 C51 1.565(5) . ?
C51 C91 1.534(5) . ?
C51 C111 1.538(5) . ?
C51 C101 1.550(5) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C12 C22 1.396(6) . ?
C12 C62 1.409(6) . ?
C22 C32 1.386(6) . ?
C22 C72 1.514(6) . ?
C32 C42 1.368(6) . ?
C32 H32A 0.9500 . ?
C42 C52 1.371(6) . ?
C42 H42A 0.9500 . ?
C52 C62 1.397(6) . ?
C52 H52A 0.9500 . ?
C62 C102 1.506(6) . ?
C72 C92 1.519(6) . ?
C72 C82 1.521(6) . ?
C72 H72A 1.0000 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C102 C112 1.524(6) . ?
C102 C122 1.527(5) . ?
C102 H10D 1.0000 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C122 H12A 0.9800 . ?
C122 H12B 0.9800 . ?
C122 H12C 0.9800 . ?
C13 C63 1.403(5) . ?
C13 C23 1.408(5) . ?
C23 C33 1.403(5) . ?
C23 C73 1.509(6) . ?
C33 C43 1.361(6) . ?
C33 H33A 0.9500 . ?
C43 C53 1.372(6) . ?
C43 H43A 0.9500 . ?
C53 C63 1.398(5) . ?
C53 H53A 0.9500 . ?
C63 C103 1.526(5) . ?
C73 C93 1.529(6) . ?
C73 C83 1.541(6) . ?
C73 H73A 1.0000 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C103 C123 1.517(5) . ?
C103 C113 1.527(5) . ?
C103 H10E 1.0000 . ?
C113 H11G 0.9800 . ?
C113 H11H 0.9800 . ?
C113 H11I 0.9800 . ?
C123 H12D 0.9800 . ?
C123 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
N14 C24 1.325(4) . ?
N14 C15 1.436(4) . ?
N24 C44 1.328(5) . ?
N24 C16 1.438(5) . ?
C14 C84 1.529(5) . ?
C14 C64 1.533(6) . ?
C14 C74 1.542(5) . ?
C14 C24 1.563(5) . ?
C24 C34 1.400(5) . ?
C34 C44 1.405(5) . ?
C34 H34A 0.9500 . ?
C44 C54 1.564(5) . ?
C54 C104 1.529(6) . ?
C54 C114 1.539(6) . ?
C54 C94 1.540(6) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C104 H10F 0.9800 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C15 C25 1.399(5) . ?
C15 C65 1.408(5) . ?
C25 C35 1.386(5) . ?
C25 C75 1.528(5) . ?
C35 C45 1.368(6) . ?
C35 H35A 0.9500 . ?
C45 C55 1.367(6) . ?
C45 H45A 0.9500 . ?
C55 C65 1.392(5) . ?
C55 H55A 0.9500 . ?
C65 C105 1.512(5) . ?
C75 C95 1.525(5) . ?
C75 C85 1.536(5) . ?
C75 H75A 1.0000 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C105 C115 1.515(5) . ?
C105 C125 1.522(6) . ?
C105 H10I 1.0000 . ?
C115 H11M 0.9800 . ?
C115 H11N 0.9800 . ?
C115 H11O 0.9800 . ?
C125 H12G 0.9800 . ?
C125 H12H 0.9800 . ?
C125 H12I 0.9800 . ?
C16 C66 1.394(5) . ?
C16 C26 1.406(5) . ?
C26 C36 1.389(5) . ?
C26 C76 1.513(6) . ?
C36 C46 1.373(6) . ?
C36 H36A 0.9500 . ?
C46 C56 1.389(5) . ?
C46 H46A 0.9500 . ?
C56 C66 1.399(5) . ?
C56 H56A 0.9500 . ?
C66 C106 1.528(5) . ?
C76 C96 1.526(7) . ?
C76 C86 1.528(6) . ?
C76 H76A 1.0000 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C106 C126 1.525(5) . ?
C106 C116 1.535(5) . ?
C106 H10J 1.0000 . ?
C116 H11P 0.9800 . ?
C116 H11Q 0.9800 . ?
C116 H11R 0.9800 . ?
C126 H12J 0.9800 . ?
C126 H12K 0.9800 . ?
C126 H12L 0.9800 . ?
Co3 N311 1.950(3) . ?
Co3 N321 1.951(3) . ?
Co3 O4 1.970(3) . ?
Co3 O5 2.218(3) . ?
Co3 C2 2.447(4) . ?
Co4 N324 1.943(3) . ?
Co4 N314 1.952(3) . ?
Co4 O6 1.979(2) . ?
Co4 O5 2.211(3) . ?
Co4 C2 2.448(4) . ?
C2 O6 1.263(4) . ?
C2 O4 1.266(4) . ?
C2 O5 1.321(4) . ?
N311 C321 1.334(4) . ?
N311 C312 1.437(5) . ?
N321 C341 1.333(4) . ?
N321 C313 1.443(5) . ?
C311 C381 1.536(5) . ?
C311 C371 1.544(6) . ?
C311 C361 1.546(5) . ?
C311 C321 1.562(5) . ?
C321 C331 1.398(5) . ?
C331 C341 1.407(5) . ?
C331 H33B 0.9500 . ?
C341 C351 1.577(5) . ?
C351 C391 1.528(5) . ?
C351 C401 1.538(5) . ?
C351 C411 1.538(6) . ?
C361 H36B 0.9800 . ?
C361 H36C 0.9800 . ?
C361 H36D 0.9800 . ?
C371 H37A 0.9800 . ?
C371 H37B 0.9800 . ?
C371 H37C 0.9800 . ?
C381 H38A 0.9800 . ?
C381 H38B 0.9800 . ?
C381 H38C 0.9800 . ?
C391 H39A 0.9800 . ?
C391 H39B 0.9800 . ?
C391 H39C 0.9800 . ?
C401 H40A 0.9800 . ?
C401 H40B 0.9800 . ?
C401 H40C 0.9800 . ?
C411 H41A 0.9800 . ?
C411 H41B 0.9800 . ?
C411 H41C 0.9800 . ?
C312 C362 1.403(5) . ?
C312 C322 1.410(5) . ?
C322 C332 1.386(5) . ?
C322 C372 1.511(5) . ?
C332 C342 1.384(6) . ?
C332 H33C 0.9500 . ?
C342 C352 1.374(5) . ?
C342 H34B 0.9500 . ?
C352 C362 1.383(5) . ?
C352 H35B 0.9500 . ?
C362 C402 1.513(5) . ?
C372 C392 1.514(6) . ?
C372 C382 1.518(5) . ?
C372 H37D 1.0000 . ?
C382 H38D 0.9800 . ?
C382 H38E 0.9800 . ?
C382 H38F 0.9800 . ?
C392 H39D 0.9800 . ?
C392 H39E 0.9800 . ?
C392 H39F 0.9800 . ?
C402 C422 1.530(5) . ?
C402 C412 1.534(5) . ?
C402 H40D 1.0000 . ?
C412 H41D 0.9800 . ?
C412 H41E 0.9800 . ?
C412 H41F 0.9800 . ?
C422 H42B 0.9800 . ?
C422 H42C 0.9800 . ?
C422 H42D 0.9800 . ?
C313 C323 1.399(5) . ?
C313 C363 1.406(5) . ?
C323 C333 1.391(5) . ?
C323 C373 1.525(5) . ?
C333 C343 1.376(6) . ?
C333 H33D 0.9500 . ?
C343 C353 1.386(5) . ?
C343 H34C 0.9500 . ?
C353 C363 1.393(5) . ?
C353 H35C 0.9500 . ?
C363 C403 1.518(5) . ?
C373 C383 1.522(6) . ?
C373 C393 1.529(5) . ?
C373 H37E 1.0000 . ?
C383 H38G 0.9800 . ?
C383 H38H 0.9800 . ?
C383 H38I 0.9800 . ?
C393 H39G 0.9800 . ?
C393 H39H 0.9800 . ?
C393 H39I 0.9800 . ?
C403 C413 1.524(5) . ?
C403 C423 1.529(5) . ?
C403 H40E 1.0000 . ?
C413 H41G 0.9800 . ?
C413 H41H 0.9800 . ?
C413 H41I 0.9800 . ?
C423 H42E 0.9800 . ?
C423 H42F 0.9800 . ?
C423 H42G 0.9800 . ?
N314 C324 1.345(4) . ?
N314 C315 1.423(4) . ?
N324 C344 1.338(4) . ?
N324 C316 1.446(4) . ?
C314 C384 1.530(5) . ?
C314 C364 1.532(5) . ?
C314 C374 1.532(5) . ?
C314 C324 1.569(5) . ?
C324 C334 1.405(5) . ?
C334 C344 1.400(5) . ?
C334 H33E 0.9500 . ?
C344 C354 1.556(5) . ?
C354 C414 1.527(5) . ?
C354 C404 1.529(5) . ?
C354 C394 1.547(6) . ?
C364 H36E 0.9800 . ?
C364 H36F 0.9800 . ?
C364 H36G 0.9800 . ?
C374 H37F 0.9800 . ?
C374 H37G 0.9800 . ?
C374 H37H 0.9800 . ?
C384 H38J 0.9800 . ?
C384 H38K 0.9800 . ?
C384 H38L 0.9800 . ?
C394 H39J 0.9800 . ?
C394 H39K 0.9800 . ?
C394 H39L 0.9800 . ?
C404 H40F 0.9800 . ?
C404 H40G 0.9800 . ?
C404 H40H 0.9800 . ?
C414 H41J 0.9800 . ?
C414 H41K 0.9800 . ?
C414 H41L 0.9800 . ?
C315 C325 1.388(5) . ?
C315 C365 1.419(5) . ?
C325 C335 1.394(5) . ?
C325 C375 1.530(5) . ?
C335 C345 1.377(6) . ?
C335 H33F 0.9500 . ?
C345 C355 1.376(6) . ?
C345 H34D 0.9500 . ?
C355 C365 1.391(5) . ?
C355 H35D 0.9500 . ?
C365 C405 1.517(5) . ?
C375 C395 1.517(5) . ?
C375 C385 1.532(6) . ?
C375 H37I 1.0000 . ?
C385 H38M 0.9800 . ?
C385 H38N 0.9800 . ?
C385 H38O 0.9800 . ?
C395 H39M 0.9800 . ?
C395 H39N 0.9800 . ?
C395 H39O 0.9800 . ?
C405 C425 1.516(5) . ?
C405 C415 1.519(5) . ?
C405 H40I 1.0000 . ?
C415 H41M 0.9800 . ?
C415 H41N 0.9800 . ?
C415 H41O 0.9800 . ?
C425 H42H 0.9800 . ?
C425 H42I 0.9800 . ?
C425 H42J 0.9800 . ?
C316 C366 1.395(5) . ?
C316 C326 1.409(5) . ?
C326 C336 1.382(5) . ?
C326 C376 1.517(5) . ?
C336 C346 1.387(6) . ?
C336 H33G 0.9500 . ?
C346 C356 1.382(5) . ?
C346 H34E 0.9500 . ?
C356 C366 1.396(5) . ?
C356 H35E 0.9500 . ?
C366 C406 1.513(5) . ?
C376 C386 1.505(5) . ?
C376 C396 1.527(6) . ?
C376 H37J 1.0000 . ?
C386 H38P 0.9800 . ?
C386 H38Q 0.9800 . ?
C386 H38R 0.9800 . ?
C396 H39P 0.9800 . ?
C396 H39Q 0.9800 . ?
C396 H39R 0.9800 . ?
C406 C426 1.517(5) . ?
C406 C416 1.532(5) . ?
C406 H40J 1.0000 . ?
C416 H41P 0.9800 . ?
C416 H41S 0.9800 . ?
C416 H41Q 0.9800 . ?
C426 H42N 0.9800 . ?
C426 H42K 0.9800 . ?
C426 H42L 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
O1 Co1 N21 124.3(2) . . ?
O1 Co1 O1' 9.2(10) . . ?
N21 Co1 O1' 115.1(9) . . ?
O1 Co1 N11 119.1(3) . . ?
N21 Co1 N11 100.23(12) . . ?
O1' Co1 N11 124.0(12) . . ?
O1 Co1 O2' 59.3(6) . . ?
N21 Co1 O2' 129.7(5) . . ?
O1' Co1 O2' 64.8(6) . . ?
N11 Co1 O2' 121.7(5) . . ?
O1 Co1 C1' 26.9(7) . . ?
N21 Co1 C1' 132.3(4) . . ?
O1' Co1 C1' 32.7(5) . . ?
N11 Co1 C1' 126.5(4) . . ?
O2' Co1 C1' 32.4(4) . . ?
N24 Co2 N14 97.45(12) . . ?
N24 Co2 O3' 124.7(10) . . ?
N14 Co2 O3' 123.5(9) . . ?
N24 Co2 O3 124.1(3) . . ?
N14 Co2 O3 115.4(2) . . ?
O3' Co2 O3 10.3(7) . . ?
N24 Co2 O2 128.89(16) . . ?
N14 Co2 O2 125.84(15) . . ?
O3' Co2 O2 54.8(6) . . ?
O3 Co2 O2 64.13(19) . . ?
N24 Co2 C1 134.22(18) . . ?
N14 Co2 C1 127.13(18) . . ?
O3' Co2 C1 23.0(7) . . ?
O3 Co2 C1 32.14(19) . . ?
O2 Co2 C1 31.99(16) . . ?
O1 C1 O2 121.8(6) . . ?
O1 C1 O3 122.1(6) . . ?
O2 C1 O3 116.1(6) . . ?
O1 C1 Co2 176.7(5) . . ?
O2 C1 Co2 61.4(4) . . ?
O3 C1 Co2 54.6(4) . . ?
C1 O1 Co1 110.4(5) . . ?
C1 O2 Co2 86.6(4) . . ?
C1 O3 Co2 93.2(4) . . ?
O3' C1' O2' 125(2) . . ?
O3' C1' O1' 117.7(17) . . ?
O2' C1' O1' 117(2) . . ?
O3' C1' Co1 168.3(15) . . ?
O2' C1' Co1 63.1(11) . . ?
O1' C1' Co1 54.9(10) . . ?
C1' O1' Co1 92.5(12) . . ?
C1' O2' Co1 84.4(13) . . ?
C1' O3' Co2 108.4(14) . . ?
C21 N11 C12 124.4(3) . . ?
C21 N11 Co1 119.7(2) . . ?
C12 N11 Co1 115.8(2) . . ?
C41 N21 C13 124.4(3) . . ?
C41 N21 Co1 119.5(2) . . ?
C13 N21 Co1 115.8(2) . . ?
C81 C11 C21 109.6(3) . . ?
C81 C11 C61 105.1(3) . . ?
C21 C11 C61 118.9(3) . . ?
C81 C11 C71 109.1(3) . . ?
C21 C11 C71 108.1(3) . . ?
C61 C11 C71 105.8(3) . . ?
N11 C21 C31 120.4(3) . . ?
N11 C21 C11 126.2(3) . . ?
C31 C21 C11 113.4(3) . . ?
C21 C31 C41 135.3(3) . . ?
C21 C31 H31A 112.3 . . ?
C41 C31 H31A 112.3 . . ?
N21 C41 C31 120.2(3) . . ?
N21 C41 C51 126.5(3) . . ?
C31 C41 C51 113.2(3) . . ?
C91 C51 C111 106.7(3) . . ?
C91 C51 C101 106.2(3) . . ?
C111 C51 C101 109.3(3) . . ?
C91 C51 C41 118.5(3) . . ?
C111 C51 C41 107.2(3) . . ?
C101 C51 C41 108.6(3) . . ?
C11 C61 H61A 109.5 . . ?
C11 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C11 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C11 C71 H71A 109.5 . . ?
C11 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C11 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C11 C81 H81A 109.5 . . ?
C11 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C11 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C51 C91 H91A 109.5 . . ?
C51 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C51 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C51 C101 H10A 109.5 . . ?
C51 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C51 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C51 C111 H11A 109.5 . . ?
C51 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C51 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C22 C12 C62 121.1(4) . . ?
C22 C12 N11 119.5(4) . . ?
C62 C12 N11 119.2(4) . . ?
C32 C22 C12 118.9(4) . . ?
C32 C22 C72 119.2(4) . . ?
C12 C22 C72 121.9(4) . . ?
C42 C32 C22 120.5(4) . . ?
C42 C32 H32A 119.7 . . ?
C22 C32 H32A 119.7 . . ?
C32 C42 C52 120.9(4) . . ?
C32 C42 H42A 119.5 . . ?
C52 C42 H42A 119.5 . . ?
C42 C52 C62 121.0(4) . . ?
C42 C52 H52A 119.5 . . ?
C62 C52 H52A 119.5 . . ?
C52 C62 C12 117.5(4) . . ?
C52 C62 C102 117.6(4) . . ?
C12 C62 C102 124.8(4) . . ?
C22 C72 C92 113.3(4) . . ?
C22 C72 C82 110.6(4) . . ?
C92 C72 C82 110.8(4) . . ?
C22 C72 H72A 107.3 . . ?
C92 C72 H72A 107.3 . . ?
C82 C72 H72A 107.3 . . ?
C72 C82 H82A 109.5 . . ?
C72 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C72 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C72 C92 H92A 109.5 . . ?
C72 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C72 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C62 C102 C112 113.2(4) . . ?
C62 C102 C122 111.6(3) . . ?
C112 C102 C122 108.7(3) . . ?
C62 C102 H10D 107.7 . . ?
C112 C102 H10D 107.7 . . ?
C122 C102 H10D 107.7 . . ?
C102 C112 H11D 109.5 . . ?
C102 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C102 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C102 C122 H12A 109.5 . . ?
C102 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C102 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C63 C13 C23 121.4(3) . . ?
C63 C13 N21 118.9(3) . . ?
C23 C13 N21 119.6(3) . . ?
C33 C23 C13 117.0(4) . . ?
C33 C23 C73 119.1(4) . . ?
C13 C23 C73 123.9(3) . . ?
C43 C33 C23 122.1(4) . . ?
C43 C33 H33A 118.9 . . ?
C23 C33 H33A 118.9 . . ?
C33 C43 C53 120.2(4) . . ?
C33 C43 H43A 119.9 . . ?
C53 C43 H43A 119.9 . . ?
C43 C53 C63 121.0(4) . . ?
C43 C53 H53A 119.5 . . ?
C63 C53 H53A 119.5 . . ?
C53 C63 C13 118.2(4) . . ?
C53 C63 C103 117.5(3) . . ?
C13 C63 C103 124.3(3) . . ?
C23 C73 C93 110.8(4) . . ?
C23 C73 C83 112.4(4) . . ?
C93 C73 C83 108.5(3) . . ?
C23 C73 H73A 108.3 . . ?
C93 C73 H73A 108.3 . . ?
C83 C73 H73A 108.3 . . ?
C73 C83 H83A 109.5 . . ?
C73 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C73 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C73 C93 H93A 109.5 . . ?
C73 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C73 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C123 C103 C63 112.5(3) . . ?
C123 C103 C113 109.7(3) . . ?
C63 C103 C113 111.1(3) . . ?
C123 C103 H10E 107.8 . . ?
C63 C103 H10E 107.8 . . ?
C113 C103 H10E 107.8 . . ?
C103 C113 H11G 109.5 . . ?
C103 C113 H11H 109.5 . . ?
H11G C113 H11H 109.5 . . ?
C103 C113 H11I 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
C103 C123 H12D 109.5 . . ?
C103 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C103 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C24 N14 C15 126.5(3) . . ?
C24 N14 Co2 123.3(2) . . ?
C15 N14 Co2 109.9(2) . . ?
C44 N24 C16 124.8(3) . . ?
C44 N24 Co2 123.7(3) . . ?
C16 N24 Co2 111.5(2) . . ?
C84 C14 C64 109.5(3) . . ?
C84 C14 C74 106.7(3) . . ?
C64 C14 C74 105.6(3) . . ?
C84 C14 C24 108.6(3) . . ?
C64 C14 C24 107.9(3) . . ?
C74 C14 C24 118.4(3) . . ?
N14 C24 C34 121.5(3) . . ?
N14 C24 C14 125.5(3) . . ?
C34 C24 C14 113.0(3) . . ?
C24 C34 C44 132.8(3) . . ?
C24 C34 H34A 113.6 . . ?
C44 C34 H34A 113.6 . . ?
N24 C44 C34 121.0(3) . . ?
N24 C44 C54 126.5(3) . . ?
C34 C44 C54 112.5(3) . . ?
C104 C54 C114 106.0(3) . . ?
C104 C54 C94 106.1(3) . . ?
C114 C54 C94 109.6(3) . . ?
C104 C54 C44 118.6(3) . . ?
C114 C54 C44 108.1(3) . . ?
C94 C54 C44 108.3(3) . . ?
C14 C64 H64A 109.5 . . ?
C14 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C14 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C14 C74 H74A 109.5 . . ?
C14 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C14 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C14 C84 H84A 109.5 . . ?
C14 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C14 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C54 C94 H94A 109.5 . . ?
C54 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C54 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C54 C104 H10F 109.5 . . ?
C54 C104 H10G 109.5 . . ?
H10F C104 H10G 109.5 . . ?
C54 C104 H10H 109.5 . . ?
H10F C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C54 C114 H11J 109.5 . . ?
C54 C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C54 C114 H11L 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
C25 C15 C65 120.7(3) . . ?
C25 C15 N14 119.7(3) . . ?
C65 C15 N14 119.5(3) . . ?
C35 C25 C15 118.2(4) . . ?
C35 C25 C75 119.2(4) . . ?
C15 C25 C75 122.6(3) . . ?
C45 C35 C25 122.0(4) . . ?
C45 C35 H35A 119.0 . . ?
C25 C35 H35A 119.0 . . ?
C55 C45 C35 119.5(4) . . ?
C55 C45 H45A 120.3 . . ?
C35 C45 H45A 120.3 . . ?
C45 C55 C65 121.7(4) . . ?
C45 C55 H55A 119.1 . . ?
C65 C55 H55A 119.1 . . ?
C55 C65 C15 117.9(4) . . ?
C55 C65 C105 119.7(4) . . ?
C15 C65 C105 122.3(3) . . ?
C95 C75 C25 112.4(3) . . ?
C95 C75 C85 109.0(3) . . ?
C25 C75 C85 111.5(3) . . ?
C95 C75 H75A 107.9 . . ?
C25 C75 H75A 107.9 . . ?
C85 C75 H75A 107.9 . . ?
C75 C85 H85A 109.5 . . ?
C75 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C75 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C75 C95 H95A 109.5 . . ?
C75 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C75 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C65 C105 C115 112.4(3) . . ?
C65 C105 C125 111.3(3) . . ?
C115 C105 C125 109.5(3) . . ?
C65 C105 H10I 107.8 . . ?
C115 C105 H10I 107.8 . . ?
C125 C105 H10I 107.8 . . ?
C105 C115 H11M 109.5 . . ?
C105 C115 H11N 109.5 . . ?
H11M C115 H11N 109.5 . . ?
C105 C115 H11O 109.5 . . ?
H11M C115 H11O 109.5 . . ?
H11N C115 H11O 109.5 . . ?
C105 C125 H12G 109.5 . . ?
C105 C125 H12H 109.5 . . ?
H12G C125 H12H 109.5 . . ?
C105 C125 H12I 109.5 . . ?
H12G C125 H12I 109.5 . . ?
H12H C125 H12I 109.5 . . ?
C66 C16 C26 121.4(3) . . ?
C66 C16 N24 119.7(3) . . ?
C26 C16 N24 118.8(3) . . ?
C36 C26 C16 118.0(4) . . ?
C36 C26 C76 120.0(4) . . ?
C16 C26 C76 122.0(3) . . ?
C46 C36 C26 121.6(4) . . ?
C46 C36 H36A 119.2 . . ?
C26 C36 H36A 119.2 . . ?
C36 C46 C56 120.0(4) . . ?
C36 C46 H46A 120.0 . . ?
C56 C46 H46A 120.0 . . ?
C46 C56 C66 120.4(4) . . ?
C46 C56 H56A 119.8 . . ?
C66 C56 H56A 119.8 . . ?
C16 C66 C56 118.6(3) . . ?
C16 C66 C106 123.5(3) . . ?
C56 C66 C106 118.0(3) . . ?
C26 C76 C96 110.8(4) . . ?
C26 C76 C86 112.9(4) . . ?
C96 C76 C86 109.4(4) . . ?
C26 C76 H76A 107.8 . . ?
C96 C76 H76A 107.8 . . ?
C86 C76 H76A 107.8 . . ?
C76 C86 H86A 109.5 . . ?
C76 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C76 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C76 C96 H96A 109.5 . . ?
C76 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C76 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C126 C106 C66 111.4(3) . . ?
C126 C106 C116 110.1(3) . . ?
C66 C106 C116 112.3(3) . . ?
C126 C106 H10J 107.6 . . ?
C66 C106 H10J 107.6 . . ?
C116 C106 H10J 107.6 . . ?
C106 C116 H11P 109.5 . . ?
C106 C116 H11Q 109.5 . . ?
H11P C116 H11Q 109.5 . . ?
C106 C116 H11R 109.5 . . ?
H11P C116 H11R 109.5 . . ?
H11Q C116 H11R 109.5 . . ?
C106 C126 H12J 109.5 . . ?
C106 C126 H12K 109.5 . . ?
H12J C126 H12K 109.5 . . ?
C106 C126 H12L 109.5 . . ?
H12J C126 H12L 109.5 . . ?
H12K C126 H12L 109.5 . . ?
N311 Co3 N321 98.68(12) . . ?
N311 Co3 O4 118.88(12) . . ?
N321 Co3 O4 120.89(11) . . ?
N311 Co3 O5 131.11(11) . . ?
N321 Co3 O5 122.51(11) . . ?
O4 Co3 O5 63.40(9) . . ?
N311 Co3 C2 131.90(12) . . ?
N321 Co3 C2 128.14(12) . . ?
O4 Co3 C2 30.98(11) . . ?
O5 Co3 C2 32.43(11) . . ?
N324 Co4 N314 97.65(12) . . ?
N324 Co4 O6 118.67(12) . . ?
N314 Co4 O6 118.93(12) . . ?
N324 Co4 O5 124.68(11) . . ?
N314 Co4 O5 131.55(11) . . ?
O6 Co4 O5 63.35(9) . . ?
N324 Co4 C2 128.08(12) . . ?
N314 Co4 C2 132.06(12) . . ?
O6 Co4 C2 30.91(11) . . ?
O5 Co4 C2 32.44(11) . . ?
O6 C2 O4 125.1(3) . . ?
O6 C2 O5 117.4(3) . . ?
O4 C2 O5 117.4(3) . . ?
O6 C2 Co3 178.3(3) . . ?
O4 C2 Co3 53.19(17) . . ?
O5 C2 Co3 64.22(18) . . ?
O6 C2 Co4 53.58(18) . . ?
O4 C2 Co4 178.7(3) . . ?
O5 C2 Co4 63.87(18) . . ?
Co3 C2 Co4 128.09(16) . . ?
C2 O4 Co3 95.8(2) . . ?
C2 O5 Co4 83.7(2) . . ?
C2 O5 Co3 83.4(2) . . ?
Co4 O5 Co3 167.04(13) . . ?
C2 O6 Co4 95.5(2) . . ?
C321 N311 C312 123.6(3) . . ?
C321 N311 Co3 117.6(2) . . ?
C312 N311 Co3 118.7(2) . . ?
C341 N321 C313 124.0(3) . . ?
C341 N321 Co3 118.1(2) . . ?
C313 N321 Co3 117.4(2) . . ?
C381 C311 C371 108.7(4) . . ?
C381 C311 C361 105.9(3) . . ?
C371 C311 C361 106.5(3) . . ?
C381 C311 C321 110.6(3) . . ?
C371 C311 C321 106.0(3) . . ?
C361 C311 C321 118.8(3) . . ?
N311 C321 C331 121.5(3) . . ?
N311 C321 C311 126.4(3) . . ?
C331 C321 C311 112.1(3) . . ?
C321 C331 C341 133.3(3) . . ?
C321 C331 H33B 113.4 . . ?
C341 C331 H33B 113.4 . . ?
N321 C341 C331 121.1(3) . . ?
N321 C341 C351 126.3(3) . . ?
C331 C341 C351 112.6(3) . . ?
C391 C351 C401 107.5(3) . . ?
C391 C351 C411 105.9(3) . . ?
C401 C351 C411 109.3(4) . . ?
C391 C351 C341 118.8(3) . . ?
C401 C351 C341 107.4(3) . . ?
C411 C351 C341 107.7(3) . . ?
C311 C361 H36B 109.5 . . ?
C311 C361 H36C 109.5 . . ?
H36B C361 H36C 109.5 . . ?
C311 C361 H36D 109.5 . . ?
H36B C361 H36D 109.5 . . ?
H36C C361 H36D 109.5 . . ?
C311 C371 H37A 109.5 . . ?
C311 C371 H37B 109.5 . . ?
H37A C371 H37B 109.5 . . ?
C311 C371 H37C 109.5 . . ?
H37A C371 H37C 109.5 . . ?
H37B C371 H37C 109.5 . . ?
C311 C381 H38A 109.5 . . ?
C311 C381 H38B 109.5 . . ?
H38A C381 H38B 109.5 . . ?
C311 C381 H38C 109.5 . . ?
H38A C381 H38C 109.5 . . ?
H38B C381 H38C 109.5 . . ?
C351 C391 H39A 109.5 . . ?
C351 C391 H39B 109.5 . . ?
H39A C391 H39B 109.5 . . ?
C351 C391 H39C 109.5 . . ?
H39A C391 H39C 109.5 . . ?
H39B C391 H39C 109.5 . . ?
C351 C401 H40A 109.5 . . ?
C351 C401 H40B 109.5 . . ?
H40A C401 H40B 109.5 . . ?
C351 C401 H40C 109.5 . . ?
H40A C401 H40C 109.5 . . ?
H40B C401 H40C 109.5 . . ?
C351 C411 H41A 109.5 . . ?
C351 C411 H41B 109.5 . . ?
H41A C411 H41B 109.5 . . ?
C351 C411 H41C 109.5 . . ?
H41A C411 H41C 109.5 . . ?
H41B C411 H41C 109.5 . . ?
C362 C312 C322 121.4(3) . . ?
C362 C312 N311 119.7(3) . . ?
C322 C312 N311 118.9(3) . . ?
C332 C322 C312 117.6(4) . . ?
C332 C322 C372 120.5(3) . . ?
C312 C322 C372 121.8(3) . . ?
C342 C332 C322 121.9(4) . . ?
C342 C332 H33C 119.1 . . ?
C322 C332 H33C 119.1 . . ?
C352 C342 C332 119.0(4) . . ?
C352 C342 H34B 120.5 . . ?
C332 C342 H34B 120.5 . . ?
C342 C352 C362 122.3(4) . . ?
C342 C352 H35B 118.8 . . ?
C362 C352 H35B 118.8 . . ?
C352 C362 C312 117.8(4) . . ?
C352 C362 C402 119.2(3) . . ?
C312 C362 C402 123.0(3) . . ?
C322 C372 C392 110.6(3) . . ?
C322 C372 C382 113.4(3) . . ?
C392 C372 C382 109.1(4) . . ?
C322 C372 H37D 107.9 . . ?
C392 C372 H37D 107.9 . . ?
C382 C372 H37D 107.9 . . ?
C372 C382 H38D 109.5 . . ?
C372 C382 H38E 109.5 . . ?
H38D C382 H38E 109.5 . . ?
C372 C382 H38F 109.5 . . ?
H38D C382 H38F 109.5 . . ?
H38E C382 H38F 109.5 . . ?
C372 C392 H39D 109.5 . . ?
C372 C392 H39E 109.5 . . ?
H39D C392 H39E 109.5 . . ?
C372 C392 H39F 109.5 . . ?
H39D C392 H39F 109.5 . . ?
H39E C392 H39F 109.5 . . ?
C362 C402 C422 111.2(3) . . ?
C362 C402 C412 111.8(3) . . ?
C422 C402 C412 109.1(3) . . ?
C362 C402 H40D 108.3 . . ?
C422 C402 H40D 108.3 . . ?
C412 C402 H40D 108.3 . . ?
C402 C412 H41D 109.5 . . ?
C402 C412 H41E 109.5 . . ?
H41D C412 H41E 109.5 . . ?
C402 C412 H41F 109.5 . . ?
H41D C412 H41F 109.5 . . ?
H41E C412 H41F 109.5 . . ?
C402 C422 H42B 109.5 . . ?
C402 C422 H42C 109.5 . . ?
H42B C422 H42C 109.5 . . ?
C402 C422 H42D 109.5 . . ?
H42B C422 H42D 109.5 . . ?
H42C C422 H42D 109.5 . . ?
C323 C313 C363 121.4(4) . . ?
C323 C313 N321 118.9(3) . . ?
C363 C313 N321 119.6(3) . . ?
C333 C323 C313 117.8(4) . . ?
C333 C323 C373 118.3(3) . . ?
C313 C323 C373 123.9(3) . . ?
C343 C333 C323 122.2(4) . . ?
C343 C333 H33D 118.9 . . ?
C323 C333 H33D 118.9 . . ?
C333 C343 C353 119.0(4) . . ?
C333 C343 H34C 120.5 . . ?
C353 C343 H34C 120.5 . . ?
C343 C353 C363 121.5(4) . . ?
C343 C353 H35C 119.2 . . ?
C363 C353 H35C 119.2 . . ?
C353 C363 C313 117.9(4) . . ?
C353 C363 C403 118.6(3) . . ?
C313 C363 C403 123.4(3) . . ?
C383 C373 C323 114.0(3) . . ?
C383 C373 C393 109.1(3) . . ?
C323 C373 C393 109.9(3) . . ?
C383 C373 H37E 107.9 . . ?
C323 C373 H37E 107.9 . . ?
C393 C373 H37E 107.9 . . ?
C373 C383 H38G 109.5 . . ?
C373 C383 H38H 109.5 . . ?
H38G C383 H38H 109.5 . . ?
C373 C383 H38I 109.5 . . ?
H38G C383 H38I 109.5 . . ?
H38H C383 H38I 109.5 . . ?
C373 C393 H39G 109.5 . . ?
C373 C393 H39H 109.5 . . ?
H39G C393 H39H 109.5 . . ?
C373 C393 H39I 109.5 . . ?
H39G C393 H39I 109.5 . . ?
H39H C393 H39I 109.5 . . ?
C363 C403 C413 111.0(3) . . ?
C363 C403 C423 111.4(3) . . ?
C413 C403 C423 109.7(3) . . ?
C363 C403 H40E 108.2 . . ?
C413 C403 H40E 108.2 . . ?
C423 C403 H40E 108.2 . . ?
C403 C413 H41G 109.5 . . ?
C403 C413 H41H 109.5 . . ?
H41G C413 H41H 109.5 . . ?
C403 C413 H41I 109.5 . . ?
H41G C413 H41I 109.5 . . ?
H41H C413 H41I 109.5 . . ?
C403 C423 H42E 109.5 . . ?
C403 C423 H42F 109.5 . . ?
H42E C423 H42F 109.5 . . ?
C403 C423 H42G 109.5 . . ?
H42E C423 H42G 109.5 . . ?
H42F C423 H42G 109.5 . . ?
C324 N314 C315 123.9(3) . . ?
C324 N314 Co4 122.4(2) . . ?
C315 N314 Co4 113.5(2) . . ?
C344 N324 C316 123.3(3) . . ?
C344 N324 Co4 124.1(2) . . ?
C316 N324 Co4 112.4(2) . . ?
C384 C314 C364 106.4(3) . . ?
C384 C314 C374 109.6(3) . . ?
C364 C314 C374 105.7(3) . . ?
C384 C314 C324 107.9(3) . . ?
C364 C314 C324 118.7(3) . . ?
C374 C314 C324 108.2(3) . . ?
N314 C324 C334 121.5(3) . . ?
N314 C324 C314 126.1(3) . . ?
C334 C324 C314 112.4(3) . . ?
C344 C334 C324 133.1(3) . . ?
C344 C334 H33E 113.5 . . ?
C324 C334 H33E 113.5 . . ?
N324 C344 C334 120.2(3) . . ?
N324 C344 C354 126.9(3) . . ?
C334 C344 C354 112.9(3) . . ?
C414 C354 C404 105.9(3) . . ?
C414 C354 C394 109.0(3) . . ?
C404 C354 C394 105.7(3) . . ?
C414 C354 C344 108.9(3) . . ?
C404 C354 C344 119.2(3) . . ?
C394 C354 C344 107.8(3) . . ?
C314 C364 H36E 109.5 . . ?
C314 C364 H36F 109.5 . . ?
H36E C364 H36F 109.5 . . ?
C314 C364 H36G 109.5 . . ?
H36E C364 H36G 109.5 . . ?
H36F C364 H36G 109.5 . . ?
C314 C374 H37F 109.5 . . ?
C314 C374 H37G 109.5 . . ?
H37F C374 H37G 109.5 . . ?
C314 C374 H37H 109.5 . . ?
H37F C374 H37H 109.5 . . ?
H37G C374 H37H 109.5 . . ?
C314 C384 H38J 109.5 . . ?
C314 C384 H38K 109.5 . . ?
H38J C384 H38K 109.5 . . ?
C314 C384 H38L 109.5 . . ?
H38J C384 H38L 109.5 . . ?
H38K C384 H38L 109.5 . . ?
C354 C394 H39J 109.5 . . ?
C354 C394 H39K 109.5 . . ?
H39J C394 H39K 109.5 . . ?
C354 C394 H39L 109.5 . . ?
H39J C394 H39L 109.5 . . ?
H39K C394 H39L 109.5 . . ?
C354 C404 H40F 109.5 . . ?
C354 C404 H40G 109.5 . . ?
H40F C404 H40G 109.5 . . ?
C354 C404 H40H 109.5 . . ?
H40F C404 H40H 109.5 . . ?
H40G C404 H40H 109.5 . . ?
C354 C414 H41J 109.5 . . ?
C354 C414 H41K 109.5 . . ?
H41J C414 H41K 109.5 . . ?
C354 C414 H41L 109.5 . . ?
H41J C414 H41L 109.5 . . ?
H41K C414 H41L 109.5 . . ?
C325 C315 C365 120.9(3) . . ?
C325 C315 N314 120.2(3) . . ?
C365 C315 N314 118.8(3) . . ?
C315 C325 C335 119.0(4) . . ?
C315 C325 C375 122.5(3) . . ?
C335 C325 C375 118.5(3) . . ?
C345 C335 C325 120.9(4) . . ?
C345 C335 H33F 119.5 . . ?
C325 C335 H33F 119.5 . . ?
C355 C345 C335 119.8(4) . . ?
C355 C345 H34D 120.1 . . ?
C335 C345 H34D 120.1 . . ?
C345 C355 C365 121.8(4) . . ?
C345 C355 H35D 119.1 . . ?
C365 C355 H35D 119.1 . . ?
C355 C365 C315 117.5(4) . . ?
C355 C365 C405 121.4(3) . . ?
C315 C365 C405 120.9(3) . . ?
C395 C375 C325 112.4(3) . . ?
C395 C375 C385 109.6(3) . . ?
C325 C375 C385 110.4(3) . . ?
C395 C375 H37I 108.1 . . ?
C325 C375 H37I 108.1 . . ?
C385 C375 H37I 108.1 . . ?
C375 C385 H38M 109.5 . . ?
C375 C385 H38N 109.5 . . ?
H38M C385 H38N 109.5 . . ?
C375 C385 H38O 109.5 . . ?
H38M C385 H38O 109.5 . . ?
H38N C385 H38O 109.5 . . ?
C375 C395 H39M 109.5 . . ?
C375 C395 H39N 109.5 . . ?
H39M C395 H39N 109.5 . . ?
C375 C395 H39O 109.5 . . ?
H39M C395 H39O 109.5 . . ?
H39N C395 H39O 109.5 . . ?
C425 C405 C365 113.3(3) . . ?
C425 C405 C415 110.1(3) . . ?
C365 C405 C415 111.3(3) . . ?
C425 C405 H40I 107.3 . . ?
C365 C405 H40I 107.3 . . ?
C415 C405 H40I 107.3 . . ?
C405 C415 H41M 109.5 . . ?
C405 C415 H41N 109.5 . . ?
H41M C415 H41N 109.5 . . ?
C405 C415 H41O 109.5 . . ?
H41M C415 H41O 109.5 . . ?
H41N C415 H41O 109.5 . . ?
C405 C425 H42H 109.5 . . ?
C405 C425 H42I 109.5 . . ?
H42H C425 H42I 109.5 . . ?
C405 C425 H42J 109.5 . . ?
H42H C425 H42J 109.5 . . ?
H42I C425 H42J 109.5 . . ?
C366 C316 C326 121.9(3) . . ?
C366 C316 N324 119.4(3) . . ?
C326 C316 N324 118.6(3) . . ?
C336 C326 C316 118.0(4) . . ?
C336 C326 C376 120.4(4) . . ?
C316 C326 C376 121.6(3) . . ?
C326 C336 C346 121.2(4) . . ?
C326 C336 H33G 119.4 . . ?
C346 C336 H33G 119.4 . . ?
C356 C346 C336 119.8(4) . . ?
C356 C346 H34E 120.1 . . ?
C336 C346 H34E 120.1 . . ?
C346 C356 C366 121.2(4) . . ?
C346 C356 H35E 119.4 . . ?
C366 C356 H35E 119.4 . . ?
C316 C366 C356 117.7(3) . . ?
C316 C366 C406 123.7(3) . . ?
C356 C366 C406 118.6(3) . . ?
C386 C376 C326 110.5(3) . . ?
C386 C376 C396 109.5(4) . . ?
C326 C376 C396 113.0(4) . . ?
C386 C376 H37J 107.9 . . ?
C326 C376 H37J 107.9 . . ?
C396 C376 H37J 107.9 . . ?
C376 C386 H38P 109.5 . . ?
C376 C386 H38Q 109.5 . . ?
H38P C386 H38Q 109.5 . . ?
C376 C386 H38R 109.5 . . ?
H38P C386 H38R 109.5 . . ?
H38Q C386 H38R 109.5 . . ?
C376 C396 H39P 109.5 . . ?
C376 C396 H39Q 109.5 . . ?
H39P C396 H39Q 109.5 . . ?
C376 C396 H39R 109.5 . . ?
H39P C396 H39R 109.5 . . ?
H39Q C396 H39R 109.5 . . ?
C366 C406 C426 112.6(3) . . ?
C366 C406 C416 111.2(3) . . ?
C426 C406 C416 108.5(3) . . ?
C366 C406 H40J 108.1 . . ?
C426 C406 H40J 108.1 . . ?
C416 C406 H40J 108.1 . . ?
C406 C416 H41P 109.5 . . ?
C406 C416 H41S 109.5 . . ?
H41P C416 H41S 109.5 . . ?
C406 C416 H41Q 109.5 . . ?
H41P C416 H41Q 109.5 . . ?
H41S C416 H41Q 109.5 . . ?
C406 C426 H42N 109.5 . . ?
C406 C426 H42K 109.5 . . ?
H42N C426 H42K 109.5 . . ?
C406 C426 H42L 109.5 . . ?
H42N C426 H42L 109.5 . . ?
H42K C426 H42L 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N24 Co2 C1 O1 -71(9) . . . . ?
N14 Co2 C1 O1 93(9) . . . . ?
O3' Co2 C1 O1 4(8) . . . . ?
O3 Co2 C1 O1 15(9) . . . . ?
O2 Co2 C1 O1 -167(9) . . . . ?
N24 Co2 C1 O2 95.5(4) . . . . ?
N14 Co2 C1 O2 -100.0(3) . . . . ?
O3' Co2 C1 O2 171(3) . . . . ?
O3 Co2 C1 O2 -178.9(6) . . . . ?
N24 Co2 C1 O3 -85.6(5) . . . . ?
N14 Co2 C1 O3 78.9(5) . . . . ?
O3' Co2 C1 O3 -10(3) . . . . ?
O2 Co2 C1 O3 178.9(6) . . . . ?
O2 C1 O1 Co1 2.1(7) . . . . ?
O3 C1 O1 Co1 -177.8(6) . . . . ?
Co2 C1 O1 Co1 168(8) . . . . ?
N21 Co1 O1 C1 119.3(4) . . . . ?
O1' Co1 O1 C1 124(9) . . . . ?
N11 Co1 O1 C1 -112.0(5) . . . . ?
O2' Co1 O1 C1 -0.3(8) . . . . ?
C1' Co1 O1 C1 2.1(12) . . . . ?
O1 C1 O2 Co2 179.1(6) . . . . ?
O3 C1 O2 Co2 -1.0(5) . . . . ?
N24 Co2 O2 C1 -113.6(4) . . . . ?
N14 Co2 O2 C1 104.4(3) . . . . ?
O3' Co2 O2 C1 -4.5(14) . . . . ?
O3 Co2 O2 C1 0.6(3) . . . . ?
O1 C1 O3 Co2 -179.0(6) . . . . ?
O2 C1 O3 Co2 1.1(6) . . . . ?
N24 Co2 O3 C1 120.3(4) . . . . ?
N14 Co2 O3 C1 -120.0(4) . . . . ?
O3' Co2 O3 C1 24(7) . . . . ?
O2 Co2 O3 C1 -0.6(3) . . . . ?
O1 Co1 C1' O3' -39(7) . . . . ?
N21 Co1 C1' O3' -123(7) . . . . ?
O1' Co1 C1' O3' -54(8) . . . . ?
N11 Co1 C1' O3' 44(7) . . . . ?
O2' Co1 C1' O3' 137(7) . . . . ?
O1 Co1 C1' O2' -176.1(18) . . . . ?
N21 Co1 C1' O2' 100.3(11) . . . . ?
O1' Co1 C1' O2' 169.3(17) . . . . ?
N11 Co1 C1' O2' -93.1(11) . . . . ?
O1 Co1 C1' O1' 15(3) . . . . ?
N21 Co1 C1' O1' -69.0(18) . . . . ?
N11 Co1 C1' O1' 97.6(19) . . . . ?
O2' Co1 C1' O1' -169.3(17) . . . . ?
O3' C1' O1' Co1 169.3(16) . . . . ?
O2' C1' O1' Co1 -10.7(16) . . . . ?
O1 Co1 O1' C1' -46(7) . . . . ?
N21 Co1 O1' C1' 130.3(11) . . . . ?
N11 Co1 O1' C1' -106.2(15) . . . . ?
O2' Co1 O1' C1' 6.3(10) . . . . ?
O3' C1' O2' Co1 -170.2(15) . . . . ?
O1' C1' O2' Co1 9.8(15) . . . . ?
O1 Co1 O2' C1' 2.1(10) . . . . ?
N21 Co1 O2' C1' -109.0(9) . . . . ?
O1' Co1 O2' C1' -6.4(10) . . . . ?
N11 Co1 O2' C1' 109.4(9) . . . . ?
O2' C1' O3' Co2 -12(2) . . . . ?
O1' C1' O3' Co2 168(2) . . . . ?
Co1 C1' O3' Co2 -144(6) . . . . ?
N24 Co2 O3' C1' 123.2(14) . . . . ?
N14 Co2 O3' C1' -106.4(13) . . . . ?
O3 Co2 O3' C1' -147(8) . . . . ?
O2 Co2 O3' C1' 6.7(10) . . . . ?
C1 Co2 O3' C1' 0.6(14) . . . . ?
O1 Co1 N11 C21 -118.5(3) . . . . ?
N21 Co1 N11 C21 20.5(3) . . . . ?
O1' Co1 N11 C21 -109.3(8) . . . . ?
O2' Co1 N11 C21 171.5(6) . . . . ?
C1' Co1 N11 C21 -149.5(7) . . . . ?
O1 Co1 N11 C12 60.7(4) . . . . ?
N21 Co1 N11 C12 -160.3(3) . . . . ?
O1' Co1 N11 C12 69.9(8) . . . . ?
O2' Co1 N11 C12 -9.3(6) . . . . ?
C1' Co1 N11 C12 29.7(8) . . . . ?
O1 Co1 N21 C41 114.8(4) . . . . ?
O1' Co1 N21 C41 114.0(11) . . . . ?
N11 Co1 N21 C41 -21.4(3) . . . . ?
O2' Co1 N21 C41 -168.9(6) . . . . ?
C1' Co1 N21 C41 147.8(8) . . . . ?
O1 Co1 N21 C13 -60.0(4) . . . . ?
O1' Co1 N21 C13 -60.8(11) . . . . ?
N11 Co1 N21 C13 163.9(3) . . . . ?
O2' Co1 N21 C13 16.3(6) . . . . ?
C1' Co1 N21 C13 -27.0(8) . . . . ?
C12 N11 C21 C31 171.1(4) . . . . ?
Co1 N11 C21 C31 -9.8(5) . . . . ?
C12 N11 C21 C11 -10.1(6) . . . . ?
Co1 N11 C21 C11 169.0(3) . . . . ?
C81 C11 C21 N11 123.5(4) . . . . ?
C61 C11 C21 N11 2.7(6) . . . . ?
C71 C11 C21 N11 -117.7(4) . . . . ?
C81 C11 C21 C31 -57.7(4) . . . . ?
C61 C11 C21 C31 -178.4(3) . . . . ?
C71 C11 C21 C31 61.1(4) . . . . ?
N11 C21 C31 C41 -7.7(7) . . . . ?
C11 C21 C31 C41 173.3(4) . . . . ?
C13 N21 C41 C31 -174.2(3) . . . . ?
Co1 N21 C41 C31 11.5(4) . . . . ?
C13 N21 C41 C51 8.5(6) . . . . ?
Co1 N21 C41 C51 -165.8(3) . . . . ?
C21 C31 C41 N21 6.7(7) . . . . ?
C21 C31 C41 C51 -175.6(4) . . . . ?
N21 C41 C51 C91 -4.4(6) . . . . ?
C31 C41 C51 C91 178.1(3) . . . . ?
N21 C41 C51 C111 116.4(4) . . . . ?
C31 C41 C51 C111 -61.1(4) . . . . ?
N21 C41 C51 C101 -125.6(4) . . . . ?
C31 C41 C51 C101 56.9(4) . . . . ?
C21 N11 C12 C22 -81.0(5) . . . . ?
Co1 N11 C12 C22 99.8(4) . . . . ?
C21 N11 C12 C62 104.7(4) . . . . ?
Co1 N11 C12 C62 -74.4(4) . . . . ?
C62 C12 C22 C32 -1.7(6) . . . . ?
N11 C12 C22 C32 -175.9(3) . . . . ?
C62 C12 C22 C72 177.0(4) . . . . ?
N11 C12 C22 C72 2.9(6) . . . . ?
C12 C22 C32 C42 -0.3(6) . . . . ?
C72 C22 C32 C42 -179.0(4) . . . . ?
C22 C32 C42 C52 0.8(7) . . . . ?
C32 C42 C52 C62 0.7(7) . . . . ?
C42 C52 C62 C12 -2.6(6) . . . . ?
C42 C52 C62 C102 -179.4(4) . . . . ?
C22 C12 C62 C52 3.1(6) . . . . ?
N11 C12 C62 C52 177.2(3) . . . . ?
C22 C12 C62 C102 179.7(4) . . . . ?
N11 C12 C62 C102 -6.2(6) . . . . ?
C32 C22 C72 C92 -42.2(5) . . . . ?
C12 C22 C72 C92 139.1(4) . . . . ?
C32 C22 C72 C82 83.0(5) . . . . ?
C12 C22 C72 C82 -95.8(5) . . . . ?
C52 C62 C102 C112 70.4(5) . . . . ?
C12 C62 C102 C112 -106.2(4) . . . . ?
C52 C62 C102 C122 -52.5(5) . . . . ?
C12 C62 C102 C122 130.9(4) . . . . ?
C41 N21 C13 C63 83.9(4) . . . . ?
Co1 N21 C13 C63 -101.6(3) . . . . ?
C41 N21 C13 C23 -99.8(4) . . . . ?
Co1 N21 C13 C23 74.7(4) . . . . ?
C63 C13 C23 C33 -2.0(5) . . . . ?
N21 C13 C23 C33 -178.2(3) . . . . ?
C63 C13 C23 C73 179.2(4) . . . . ?
N21 C13 C23 C73 2.9(5) . . . . ?
C13 C23 C33 C43 1.8(6) . . . . ?
C73 C23 C33 C43 -179.3(4) . . . . ?
C23 C33 C43 C53 -0.6(6) . . . . ?
C33 C43 C53 C63 -0.5(6) . . . . ?
C43 C53 C63 C13 0.3(5) . . . . ?
C43 C53 C63 C103 179.4(3) . . . . ?
C23 C13 C63 C53 1.0(5) . . . . ?
N21 C13 C63 C53 177.3(3) . . . . ?
C23 C13 C63 C103 -178.0(3) . . . . ?
N21 C13 C63 C103 -1.8(5) . . . . ?
C33 C23 C73 C93 54.0(5) . . . . ?
C13 C23 C73 C93 -127.2(4) . . . . ?
C33 C23 C73 C83 -67.6(5) . . . . ?
C13 C23 C73 C83 111.2(4) . . . . ?
C53 C63 C103 C123 56.7(4) . . . . ?
C13 C63 C103 C123 -124.2(4) . . . . ?
C53 C63 C103 C113 -66.6(4) . . . . ?
C13 C63 C103 C113 112.4(4) . . . . ?
N24 Co2 N14 C24 -3.8(3) . . . . ?
O3' Co2 N14 C24 -144.7(10) . . . . ?
O3 Co2 N14 C24 -137.4(4) . . . . ?
O2 Co2 N14 C24 147.3(3) . . . . ?
C1 Co2 N14 C24 -172.7(3) . . . . ?
N24 Co2 N14 C15 170.4(2) . . . . ?
O3' Co2 N14 C15 29.6(10) . . . . ?
O3 Co2 N14 C15 36.9(3) . . . . ?
O2 Co2 N14 C15 -38.5(3) . . . . ?
C1 Co2 N14 C15 1.5(3) . . . . ?
N14 Co2 N24 C44 4.2(3) . . . . ?
O3' Co2 N24 C44 144.4(8) . . . . ?
O3 Co2 N24 C44 131.9(3) . . . . ?
O2 Co2 N24 C44 -145.6(3) . . . . ?
C1 Co2 N24 C44 171.8(3) . . . . ?
N14 Co2 N24 C16 -175.9(2) . . . . ?
O3' Co2 N24 C16 -35.7(8) . . . . ?
O3 Co2 N24 C16 -48.2(3) . . . . ?
O2 Co2 N24 C16 34.3(3) . . . . ?
C1 Co2 N24 C16 -8.3(4) . . . . ?
C15 N14 C24 C34 -172.5(3) . . . . ?
Co2 N14 C24 C34 0.7(5) . . . . ?
C15 N14 C24 C14 7.7(6) . . . . ?
Co2 N14 C24 C14 -179.0(3) . . . . ?
C84 C14 C24 N14 -121.4(4) . . . . ?
C64 C14 C24 N14 120.0(4) . . . . ?
C74 C14 C24 N14 0.3(6) . . . . ?
C84 C14 C24 C34 58.9(4) . . . . ?
C64 C14 C24 C34 -59.8(4) . . . . ?
C74 C14 C24 C34 -179.5(3) . . . . ?
N14 C24 C34 C44 4.1(7) . . . . ?
C14 C24 C34 C44 -176.1(4) . . . . ?
C16 N24 C44 C34 178.7(3) . . . . ?
Co2 N24 C44 C34 -1.4(5) . . . . ?
C16 N24 C44 C54 -1.0(6) . . . . ?
Co2 N24 C44 C54 178.9(3) . . . . ?
C24 C34 C44 N24 -3.7(7) . . . . ?
C24 C34 C44 C54 176.0(4) . . . . ?
N24 C44 C54 C104 -0.2(6) . . . . ?
C34 C44 C54 C104 -179.8(4) . . . . ?
N24 C44 C54 C114 -120.7(4) . . . . ?
C34 C44 C54 C114 59.6(4) . . . . ?
N24 C44 C54 C94 120.7(4) . . . . ?
C34 C44 C54 C94 -59.0(4) . . . . ?
C24 N14 C15 C25 85.2(5) . . . . ?
Co2 N14 C15 C25 -88.8(3) . . . . ?
C24 N14 C15 C65 -98.6(4) . . . . ?
Co2 N14 C15 C65 87.4(3) . . . . ?
C65 C15 C25 C35 0.8(5) . . . . ?
N14 C15 C25 C35 176.9(3) . . . . ?
C65 C15 C25 C75 179.3(3) . . . . ?
N14 C15 C25 C75 -4.6(5) . . . . ?
C15 C25 C35 C45 -0.4(6) . . . . ?
C75 C25 C35 C45 -179.0(4) . . . . ?
C25 C35 C45 C55 -0.5(6) . . . . ?
C35 C45 C55 C65 1.1(6) . . . . ?
C45 C55 C65 C15 -0.7(6) . . . . ?
C45 C55 C65 C105 177.8(4) . . . . ?
C25 C15 C65 C55 -0.3(5) . . . . ?
N14 C15 C65 C55 -176.4(3) . . . . ?
C25 C15 C65 C105 -178.7(3) . . . . ?
N14 C15 C65 C105 5.2(5) . . . . ?
C35 C25 C75 C95 54.6(5) . . . . ?
C15 C25 C75 C95 -123.9(4) . . . . ?
C35 C25 C75 C85 -68.3(5) . . . . ?
C15 C25 C75 C85 113.3(4) . . . . ?
C55 C65 C105 C115 -53.7(5) . . . . ?
C15 C65 C105 C115 124.7(4) . . . . ?
C55 C65 C105 C125 69.5(5) . . . . ?
C15 C65 C105 C125 -112.0(4) . . . . ?
C44 N24 C16 C66 -91.7(4) . . . . ?
Co2 N24 C16 C66 88.3(3) . . . . ?
C44 N24 C16 C26 90.7(5) . . . . ?
Co2 N24 C16 C26 -89.2(3) . . . . ?
C66 C16 C26 C36 1.3(6) . . . . ?
N24 C16 C26 C36 178.8(3) . . . . ?
C66 C16 C26 C76 -179.3(4) . . . . ?
N24 C16 C26 C76 -1.8(6) . . . . ?
C16 C26 C36 C46 -1.6(6) . . . . ?
C76 C26 C36 C46 178.9(4) . . . . ?
C26 C36 C46 C56 1.0(6) . . . . ?
C36 C46 C56 C66 0.1(6) . . . . ?
C26 C16 C66 C56 -0.3(5) . . . . ?
N24 C16 C66 C56 -177.8(3) . . . . ?
C26 C16 C66 C106 -178.6(3) . . . . ?
N24 C16 C66 C106 4.0(5) . . . . ?
C46 C56 C66 C16 -0.4(5) . . . . ?
C46 C56 C66 C106 177.9(3) . . . . ?
C36 C26 C76 C96 -77.2(5) . . . . ?
C16 C26 C76 C96 103.4(5) . . . . ?
C36 C26 C76 C86 46.0(6) . . . . ?
C16 C26 C76 C86 -133.4(4) . . . . ?
C16 C66 C106 C126 -110.7(4) . . . . ?
C56 C66 C106 C126 71.0(4) . . . . ?
C16 C66 C106 C116 125.3(4) . . . . ?
C56 C66 C106 C116 -53.0(4) . . . . ?
N311 Co3 C2 O6 68(11) . . . . ?
N321 Co3 C2 O6 -97(11) . . . . ?
O4 Co3 C2 O6 -9(11) . . . . ?
O5 Co3 C2 O6 171(100) . . . . ?
N311 Co3 C2 O4 76.5(3) . . . . ?
N321 Co3 C2 O4 -87.7(2) . . . . ?
O5 Co3 C2 O4 -179.9(3) . . . . ?
N311 Co3 C2 O5 -103.6(2) . . . . ?
N321 Co3 C2 O5 92.2(2) . . . . ?
O4 Co3 C2 O5 179.9(3) . . . . ?
N311 Co3 C2 Co4 -103.7(2) . . . . ?
N321 Co3 C2 Co4 92.1(2) . . . . ?
O4 Co3 C2 Co4 179.8(3) . . . . ?
O5 Co3 C2 Co4 -0.09(14) . . . . ?
N324 Co4 C2 O6 -83.0(2) . . . . ?
N314 Co4 C2 O6 76.2(3) . . . . ?
O5 Co4 C2 O6 -179.6(3) . . . . ?
N324 Co4 C2 O4 -89(14) . . . . ?
N314 Co4 C2 O4 70(14) . . . . ?
O6 Co4 C2 O4 -6(14) . . . . ?
O5 Co4 C2 O4 174(100) . . . . ?
N324 Co4 C2 O5 96.6(2) . . . . ?
N314 Co4 C2 O5 -104.2(2) . . . . ?
O6 Co4 C2 O5 179.6(3) . . . . ?
N324 Co4 C2 Co3 96.7(2) . . . . ?
N314 Co4 C2 Co3 -104.1(2) . . . . ?
O6 Co4 C2 Co3 179.7(3) . . . . ?
O5 Co4 C2 Co3 0.09(14) . . . . ?
O6 C2 O4 Co3 179.7(3) . . . . ?
O5 C2 O4 Co3 -0.1(3) . . . . ?
Co4 C2 O4 Co3 -174(100) . . . . ?
N311 Co3 O4 C2 -124.3(2) . . . . ?
N321 Co3 O4 C2 113.7(2) . . . . ?
O5 Co3 O4 C2 0.0(2) . . . . ?
O6 C2 O5 Co4 0.4(3) . . . . ?
O4 C2 O5 Co4 -179.9(3) . . . . ?
Co3 C2 O5 Co4 -179.92(12) . . . . ?
O6 C2 O5 Co3 -179.7(3) . . . . ?
O4 C2 O5 Co3 0.1(3) . . . . ?
Co4 C2 O5 Co3 179.92(12) . . . . ?
N324 Co4 O5 C2 -108.0(2) . . . . ?
N314 Co4 O5 C2 105.9(2) . . . . ?
O6 Co4 O5 C2 -0.24(19) . . . . ?
N324 Co4 O5 Co3 -108.4(6) . . . . ?
N314 Co4 O5 Co3 105.6(6) . . . . ?
O6 Co4 O5 Co3 -0.6(6) . . . . ?
C2 Co4 O5 Co3 -0.4(5) . . . . ?
N311 Co3 O5 C2 106.2(2) . . . . ?
N321 Co3 O5 C2 -111.2(2) . . . . ?
O4 Co3 O5 C2 0.0(2) . . . . ?
N311 Co3 O5 Co4 106.6(6) . . . . ?
N321 Co3 O5 Co4 -110.9(6) . . . . ?
O4 Co3 O5 Co4 0.3(6) . . . . ?
C2 Co3 O5 Co4 0.4(5) . . . . ?
O4 C2 O6 Co4 179.8(3) . . . . ?
O5 C2 O6 Co4 -0.4(3) . . . . ?
Co3 C2 O6 Co4 -171(100) . . . . ?
N324 Co4 O6 C2 117.1(2) . . . . ?
N314 Co4 O6 C2 -124.5(2) . . . . ?
O5 Co4 O6 C2 0.2(2) . . . . ?
N321 Co3 N311 C321 30.6(3) . . . . ?
O4 Co3 N311 C321 -102.0(3) . . . . ?
O5 Co3 N311 C321 179.4(2) . . . . ?
C2 Co3 N311 C321 -136.9(3) . . . . ?
N321 Co3 N311 C312 -152.8(3) . . . . ?
O4 Co3 N311 C312 74.6(3) . . . . ?
O5 Co3 N311 C312 -4.0(3) . . . . ?
C2 Co3 N311 C312 39.8(3) . . . . ?
N311 Co3 N321 C341 -29.5(3) . . . . ?
O4 Co3 N321 C341 101.8(3) . . . . ?
O5 Co3 N321 C341 178.1(2) . . . . ?
C2 Co3 N321 C341 138.6(3) . . . . ?
N311 Co3 N321 C313 158.4(2) . . . . ?
O4 Co3 N321 C313 -70.3(3) . . . . ?
O5 Co3 N321 C313 6.0(3) . . . . ?
C2 Co3 N321 C313 -33.4(3) . . . . ?
C312 N311 C321 C331 167.5(3) . . . . ?
Co3 N311 C321 C331 -16.1(5) . . . . ?
C312 N311 C321 C311 -15.5(6) . . . . ?
Co3 N311 C321 C311 161.0(3) . . . . ?
C381 C311 C321 N311 133.0(4) . . . . ?
C371 C311 C321 N311 -109.4(4) . . . . ?
C361 C311 C321 N311 10.2(6) . . . . ?
C381 C311 C321 C331 -49.7(5) . . . . ?
C371 C311 C321 C331 67.9(4) . . . . ?
C361 C311 C321 C331 -172.5(3) . . . . ?
N311 C321 C331 C341 -10.1(6) . . . . ?
C311 C321 C331 C341 172.4(4) . . . . ?
C313 N321 C341 C331 -174.7(3) . . . . ?
Co3 N321 C341 C331 13.8(4) . . . . ?
C313 N321 C341 C351 5.9(6) . . . . ?
Co3 N321 C341 C351 -165.6(3) . . . . ?
C321 C331 C341 N321 11.5(6) . . . . ?
C321 C331 C341 C351 -169.0(4) . . . . ?
N321 C341 C351 C391 0.7(6) . . . . ?
C331 C341 C351 C391 -178.8(3) . . . . ?
N321 C341 C351 C401 -121.5(4) . . . . ?
C331 C341 C351 C401 59.0(4) . . . . ?
N321 C341 C351 C411 120.9(4) . . . . ?
C331 C341 C351 C411 -58.6(4) . . . . ?
C321 N311 C312 C362 103.5(4) . . . . ?
Co3 N311 C312 C362 -72.9(4) . . . . ?
C321 N311 C312 C322 -78.8(5) . . . . ?
Co3 N311 C312 C322 104.8(3) . . . . ?
C362 C312 C322 C332 -1.0(5) . . . . ?
N311 C312 C322 C332 -178.7(3) . . . . ?
C362 C312 C322 C372 177.7(3) . . . . ?
N311 C312 C322 C372 0.0(5) . . . . ?
C312 C322 C332 C342 0.0(6) . . . . ?
C372 C322 C332 C342 -178.7(4) . . . . ?
C322 C332 C342 C352 1.0(6) . . . . ?
C332 C342 C352 C362 -1.1(6) . . . . ?
C342 C352 C362 C312 0.2(6) . . . . ?
C342 C352 C362 C402 -178.0(4) . . . . ?
C322 C312 C362 C352 0.9(5) . . . . ?
N311 C312 C362 C352 178.6(3) . . . . ?
C322 C312 C362 C402 179.1(3) . . . . ?
N311 C312 C362 C402 -3.2(5) . . . . ?
C332 C322 C372 C392 76.2(5) . . . . ?
C312 C322 C372 C392 -102.5(5) . . . . ?
C332 C322 C372 C382 -46.6(5) . . . . ?
C312 C322 C372 C382 134.7(4) . . . . ?
C352 C362 C402 C422 -59.7(5) . . . . ?
C312 C362 C402 C422 122.2(4) . . . . ?
C352 C362 C402 C412 62.4(5) . . . . ?
C312 C362 C402 C412 -115.7(4) . . . . ?
C341 N321 C313 C323 -95.3(4) . . . . ?
Co3 N321 C313 C323 76.3(4) . . . . ?
C341 N321 C313 C363 86.6(4) . . . . ?
Co3 N321 C313 C363 -101.8(3) . . . . ?
C363 C313 C323 C333 -4.9(5) . . . . ?
N321 C313 C323 C333 177.0(3) . . . . ?
C363 C313 C323 C373 175.1(3) . . . . ?
N321 C313 C323 C373 -3.0(5) . . . . ?
C313 C323 C333 C343 0.7(6) . . . . ?
C373 C323 C333 C343 -179.3(4) . . . . ?
C323 C333 C343 C353 3.1(6) . . . . ?
C333 C343 C353 C363 -2.7(6) . . . . ?
C343 C353 C363 C313 -1.3(6) . . . . ?
C343 C353 C363 C403 176.5(4) . . . . ?
C323 C313 C363 C353 5.2(5) . . . . ?
N321 C313 C363 C353 -176.7(3) . . . . ?
C323 C313 C363 C403 -172.5(3) . . . . ?
N321 C313 C363 C403 5.6(5) . . . . ?
C333 C323 C373 C383 -65.2(5) . . . . ?
C313 C323 C373 C383 114.8(4) . . . . ?
C333 C323 C373 C393 57.7(5) . . . . ?
C313 C323 C373 C393 -122.3(4) . . . . ?
C353 C363 C403 C413 -63.3(5) . . . . ?
C313 C363 C403 C413 114.4(4) . . . . ?
C353 C363 C403 C423 59.3(5) . . . . ?
C313 C363 C403 C423 -123.0(4) . . . . ?
N324 Co4 N314 C324 -7.3(3) . . . . ?
O6 Co4 N314 C324 -136.2(3) . . . . ?
O5 Co4 N314 C324 145.0(2) . . . . ?
C2 Co4 N314 C324 -170.9(2) . . . . ?
N324 Co4 N314 C315 167.2(2) . . . . ?
O6 Co4 N314 C315 38.4(3) . . . . ?
O5 Co4 N314 C315 -40.4(3) . . . . ?
C2 Co4 N314 C315 3.6(3) . . . . ?
N314 Co4 N324 C344 6.6(3) . . . . ?
O6 Co4 N324 C344 135.7(3) . . . . ?
O5 Co4 N324 C344 -148.4(3) . . . . ?
C2 Co4 N324 C344 171.2(3) . . . . ?
N314 Co4 N324 C316 -168.8(2) . . . . ?
O6 Co4 N324 C316 -39.8(3) . . . . ?
O5 Co4 N324 C316 36.1(3) . . . . ?
C2 Co4 N324 C316 -4.3(3) . . . . ?
C315 N314 C324 C334 -172.5(3) . . . . ?
Co4 N314 C324 C334 1.5(5) . . . . ?
C315 N314 C324 C314 5.9(6) . . . . ?
Co4 N314 C324 C314 179.9(3) . . . . ?
C384 C314 C324 N314 -122.9(4) . . . . ?
C364 C314 C324 N314 -1.8(6) . . . . ?
C374 C314 C324 N314 118.6(4) . . . . ?
C384 C314 C324 C334 55.6(4) . . . . ?
C364 C314 C324 C334 176.7(3) . . . . ?
C374 C314 C324 C334 -62.9(4) . . . . ?
N314 C324 C334 C344 9.4(6) . . . . ?
C314 C324 C334 C344 -169.2(4) . . . . ?
C316 N324 C344 C334 175.1(3) . . . . ?
Co4 N324 C344 C334 0.1(5) . . . . ?
C316 N324 C344 C354 -5.4(5) . . . . ?
Co4 N324 C344 C354 179.6(3) . . . . ?
C324 C334 C344 N324 -10.3(6) . . . . ?
C324 C334 C344 C354 170.1(4) . . . . ?
N324 C344 C354 C414 125.9(4) . . . . ?
C334 C344 C354 C414 -54.5(4) . . . . ?
N324 C344 C354 C404 4.3(6) . . . . ?
C334 C344 C354 C404 -176.1(3) . . . . ?
N324 C344 C354 C394 -116.0(4) . . . . ?
C334 C344 C354 C394 63.6(4) . . . . ?
C324 N314 C315 C325 91.9(4) . . . . ?
Co4 N314 C315 C325 -82.5(4) . . . . ?
C324 N314 C315 C365 -91.5(4) . . . . ?
Co4 N314 C315 C365 94.1(3) . . . . ?
C365 C315 C325 C335 3.8(5) . . . . ?
N314 C315 C325 C335 -179.6(3) . . . . ?
C365 C315 C325 C375 -177.5(3) . . . . ?
N314 C315 C325 C375 -1.0(5) . . . . ?
C315 C325 C335 C345 -1.9(6) . . . . ?
C375 C325 C335 C345 179.5(4) . . . . ?
C325 C335 C345 C355 -0.5(6) . . . . ?
C335 C345 C355 C365 0.9(6) . . . . ?
C345 C355 C365 C315 1.0(6) . . . . ?
C345 C355 C365 C405 177.5(4) . . . . ?
C325 C315 C365 C355 -3.4(5) . . . . ?
N314 C315 C365 C355 -180.0(3) . . . . ?
C325 C315 C365 C405 -179.9(3) . . . . ?
N314 C315 C365 C405 3.5(5) . . . . ?
C315 C325 C375 C395 -116.0(4) . . . . ?
C335 C325 C375 C395 62.6(5) . . . . ?
C315 C325 C375 C385 121.3(4) . . . . ?
C335 C325 C375 C385 -60.1(4) . . . . ?
C355 C365 C405 C425 -25.8(5) . . . . ?
C315 C365 C405 C425 150.6(4) . . . . ?
C355 C365 C405 C415 99.0(4) . . . . ?
C315 C365 C405 C415 -84.6(4) . . . . ?
C344 N324 C316 C366 -91.2(4) . . . . ?
Co4 N324 C316 C366 84.4(3) . . . . ?
C344 N324 C316 C326 91.3(4) . . . . ?
Co4 N324 C316 C326 -93.2(3) . . . . ?
C366 C316 C326 C336 3.9(5) . . . . ?
N324 C316 C326 C336 -178.6(3) . . . . ?
C366 C316 C326 C376 -176.4(3) . . . . ?
N324 C316 C326 C376 1.1(5) . . . . ?
C316 C326 C336 C346 0.3(5) . . . . ?
C376 C326 C336 C346 -179.5(4) . . . . ?
C326 C336 C346 C356 -3.1(6) . . . . ?
C336 C346 C356 C366 1.8(6) . . . . ?
C326 C316 C366 C356 -5.1(5) . . . . ?
N324 C316 C366 C356 177.4(3) . . . . ?
C326 C316 C366 C406 175.8(3) . . . . ?
N324 C316 C366 C406 -1.6(5) . . . . ?
C346 C356 C366 C316 2.2(5) . . . . ?
C346 C356 C366 C406 -178.7(3) . . . . ?
C336 C326 C376 C386 -77.5(5) . . . . ?
C316 C326 C376 C386 102.8(4) . . . . ?
C336 C326 C376 C396 45.7(5) . . . . ?
C316 C326 C376 C396 -134.1(4) . . . . ?
C316 C366 C406 C426 -122.7(4) . . . . ?
C356 C366 C406 C426 58.2(5) . . . . ?
C316 C366 C406 C416 115.2(4) . . . . ?
C356 C366 C406 C416 -63.8(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        29.57
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.272
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.076

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Hygroscopic,Oxygen-sensitive
