# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_ln201a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C51 H33 Co3 N9 O10, 0.5(C H4 O), 0.2(O)'
_chemical_formula_sum            'C51.50 H35.40 Co3 N9 O10.70'
_chemical_formula_weight         1128.28

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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   17.930(8)
_cell_length_b                   17.930(8)
_cell_length_c                   25.611(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     7130(5)
_cell_formula_units_Z            6
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    1510
_cell_measurement_theta_min      2.74
_cell_measurement_theta_max      30.50

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3444
_exptl_absorpt_coefficient_mu    1.108
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.883
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
;
Xcalibur R kappa-geometry diffractometer with a Ruby 
CCD camera 
;
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9952
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_av_sigmaI/netI    0.1285
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.74
_diffrn_reflns_theta_max         30.57
_reflns_number_total             4711
_reflns_number_gt                2431
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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)+(0.0521P)²+12.4629P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4711
_refine_ls_number_parameters     246
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.1700
_refine_ls_R_factor_gt           0.0795
_refine_ls_wR_factor_ref         0.1683
_refine_ls_wR_factor_gt          0.1355
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.38724(4) 0.60298(4) 0.36777(2) 0.0363(2) Uani 1 1 d . . .
O O 0.3333 0.6667 0.3534(2) 0.0385(12) Uani 1 3 d S . .
O1 O 0.22652(18) 0.54436(19) 0.42505(10) 0.0353(7) Uani 1 1 d . . .
N1 N 0.2938(2) 0.5358(2) 0.41878(12) 0.0313(8) Uani 1 1 d . A .
N2 N 0.4365(2) 0.5268(2) 0.39758(12) 0.0321(8) Uani 1 1 d . A .
N3 N 0.4556(2) 0.4091(2) 0.46415(14) 0.0345(8) Uani 1 1 d . . .
C1 C 0.5068(3) 0.5148(3) 0.39282(16) 0.0345(10) Uani 1 1 d . . .
C2 C 0.5687(3) 0.5598(3) 0.35497(17) 0.0459(12) Uani 1 1 d . A .
H2 H 0.5642 0.5999 0.3328 0.055 Uiso 1 1 calc R . .
C3 C 0.6366(3) 0.5454(4) 0.3503(2) 0.0576(15) Uani 1 1 d . . .
H3 H 0.6789 0.5756 0.3242 0.069 Uiso 1 1 calc R A .
C4 C 0.6450(3) 0.4879(4) 0.3824(2) 0.0578(16) Uani 1 1 d . A .
H4 H 0.6926 0.4790 0.3781 0.069 Uiso 1 1 calc R . .
C5 C 0.5865(3) 0.4448(3) 0.4196(2) 0.0498(14) Uani 1 1 d . . .
H5 H 0.5935 0.4063 0.4418 0.060 Uiso 1 1 calc R A .
C6 C 0.5145(3) 0.4560(3) 0.42625(17) 0.0358(10) Uani 1 1 d . A .
C7 C 0.3901(3) 0.4216(3) 0.46715(16) 0.0307(9) Uani 1 1 d . . .
C8 C 0.3142(3) 0.3833(3) 0.50096(16) 0.0302(9) Uani 1 1 d . . .
C9 C 0.2880(3) 0.3222(3) 0.53921(17) 0.0378(11) Uani 1 1 d . . .
H9 H 0.3221 0.2973 0.5484 0.045 Uiso 1 1 calc R . .
C10 C 0.2104(3) 0.2972(3) 0.56441(17) 0.0439(12) Uani 1 1 d . . .
H10 H 0.1910 0.2541 0.5907 0.053 Uiso 1 1 calc R . .
C11 C 0.1612(3) 0.3336(3) 0.55200(16) 0.0397(11) Uani 1 1 d . . .
H11 H 0.1083 0.3152 0.5697 0.048 Uiso 1 1 calc R . .
C12 C 0.1875(3) 0.3964(3) 0.51428(15) 0.0321(9) Uani 1 1 d . . .
H12 H 0.1539 0.4224 0.5062 0.039 Uiso 1 1 calc R . .
C13 C 0.2636(3) 0.4207(3) 0.48848(15) 0.0295(9) Uani 1 1 d . A .
C14 C 0.3063(3) 0.4826(3) 0.44682(15) 0.0266(9) Uani 1 1 d . . .
C15 C 0.3829(2) 0.4810(3) 0.43433(15) 0.0269(9) Uani 1 1 d . A .
O2 O 0.3185(6) 0.5252(7) 0.3111(4) 0.043(3) Uiso 0.51(3) 1 d PD A 1
O3 O 0.1939(7) 0.5296(10) 0.3159(5) 0.043(5) Uiso 0.51(3) 1 d PD . 1
C16 C 0.2409(8) 0.5022(10) 0.2988(6) 0.063(7) Uiso 0.51(3) 1 d PD A 1
C17 C 0.1942(7) 0.4203(13) 0.2650(8) 0.060(4) Uiso 0.51(3) 1 d PD A 1
H17A H 0.2355 0.4031 0.2535 0.090 Uiso 0.51(3) 1 calc PR A 1
H17B H 0.1688 0.4320 0.2345 0.090 Uiso 0.51(3) 1 calc PR A 1
H17C H 0.1487 0.3738 0.2856 0.090 Uiso 0.51(3) 1 calc PR A 1
O20 O 0.3172(8) 0.5049(14) 0.3221(9) 0.050(8) Uiso 0.247(18) 1 d PD A 2
O30 O 0.1870(9) 0.4984(13) 0.3228(6) 0.035(5) Uiso 0.247(18) 1 d PD . 2
C160 C 0.2371(8) 0.4715(11) 0.3118(7) 0.026(5) Uiso 0.247(18) 1 d PD A 2
C170 C 0.1956(11) 0.3840(14) 0.2834(9) 0.051(7) Uiso 0.247(18) 1 d PD A 2
H17D H 0.2396 0.3683 0.2762 0.076 Uiso 0.247(18) 1 calc PR A 2
H17E H 0.1701 0.3883 0.2505 0.076 Uiso 0.247(18) 1 calc PR A 2
H17F H 0.1506 0.3399 0.3056 0.076 Uiso 0.247(18) 1 calc PR A 2
O21 O 0.3065(13) 0.5091(18) 0.3182(9) 0.029(7) Uiso 0.24(3) 1 d PD A 3
O31 O 0.1857(19) 0.521(3) 0.3195(12) 0.037(11) Uiso 0.24(3) 1 d PD . 3
C161 C 0.2327(12) 0.4936(17) 0.3019(8) 0.022(8) Uiso 0.24(3) 1 d PD A 3
C171 C 0.2052(16) 0.449(2) 0.2483(10) 0.053(8) Uiso 0.24(3) 1 d PD A 3
H17G H 0.2470 0.4323 0.2368 0.079 Uiso 0.24(3) 1 calc PR A 3
H17H H 0.2030 0.4886 0.2229 0.079 Uiso 0.24(3) 1 calc PR A 3
H17I H 0.1482 0.3974 0.2513 0.079 Uiso 0.24(3) 1 calc PR A 3
O1M O 0.354(6) 0.664(9) 0.2167(14) 0.24(2) Uiso 0.17 1 d PD B -1
H1M H 0.3730 0.6589 0.2456 0.358 Uiso 0.17 1 calc PR B -1
C1M C 0.398(3) 0.650(4) 0.1759(17) 0.090(12) Uiso 0.17 1 d PD B -1
H1MA H 0.3902 0.6743 0.1434 0.135 Uiso 0.17 1 calc PR B -1
H1MB H 0.3759 0.5884 0.1715 0.135 Uiso 0.17 1 calc PR B -1
H1MC H 0.4597 0.6788 0.1844 0.135 Uiso 0.17 1 calc PR B -1
O1W O 0.3333 0.6667 0.5174(18) 0.10(2) Uiso 0.19(2) 3 d SP C -1


_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 O 1.8648(14) . ?
Co1 O3 1.886(11) 2_665 ?
Co1 O31 1.91(2) 2_665 ?
Co1 O20 1.956(14) . ?
Co1 O2 1.963(8) . ?
Co1 O1 1.983(3) 2_665 ?
Co1 N1 1.987(3) . ?
Co1 O21 2.026(17) . ?
Co1 N2 2.106(4) . ?
Co1 O30 2.178(16) 2_665 ?
O Co1 1.8648(14) 3_565 ?
O Co1 1.8648(14) 2_665 ?
O1 N1 1.299(4) . ?
O1 Co1 1.983(3) 3_565 ?
N1 C14 1.300(5) . ?
N2 C15 1.302(5) . ?
N2 C1 1.386(5) . ?
N3 C7 1.305(5) . ?
N3 C6 1.369(5) . ?
C1 C2 1.389(6) . ?
C1 C6 1.419(6) . ?
C2 C3 1.370(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.340(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.411(6) . ?
C5 H5 0.9500 . ?
C7 C15 1.412(6) . ?
C7 C8 1.461(6) . ?
C8 C9 1.366(6) . ?
C8 C13 1.408(6) . ?
C9 C10 1.390(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.371(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.376(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.377(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.451(5) . ?
C14 C15 1.425(5) . ?
O2 C16 1.277(7) . ?
O3 C16 1.248(8) . ?
O3 Co1 1.886(10) 3_565 ?
C16 C17 1.541(10) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
O20 C160 1.277(7) . ?
O30 C160 1.247(8) . ?
O30 Co1 2.178(15) 3_565 ?
C160 C170 1.540(9) . ?
C170 H17D 0.9800 . ?
C170 H17E 0.9800 . ?
C170 H17F 0.9800 . ?
O21 C161 1.277(7) . ?
O31 C161 1.248(8) . ?
O31 Co1 1.91(2) 3_565 ?
C161 C171 1.541(10) . ?
C171 H17G 0.9800 . ?
C171 H17H 0.9800 . ?
C171 H17I 0.9800 . ?
O1M C1M 1.410(2) . ?
O1M H1M 0.8400 . ?
C1M H1MA 0.9800 . ?
C1M H1MB 0.9800 . ?
C1M H1MC 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
O Co1 O3 90.3(4) . 2_665 ?
O Co1 O31 94.4(9) . 2_665 ?
O3 Co1 O31 5.4(16) 2_665 2_665 ?
O Co1 O20 97.8(6) . . ?
O3 Co1 O20 93.9(9) 2_665 . ?
O31 Co1 O20 96.7(13) 2_665 . ?
O Co1 O2 87.5(3) . . ?
O3 Co1 O2 85.8(6) 2_665 . ?
O31 Co1 O2 89.3(14) 2_665 . ?
O20 Co1 O2 13.2(8) . . ?
O Co1 O1 91.83(14) . 2_665 ?
O3 Co1 O1 94.5(5) 2_665 2_665 ?
O31 Co1 O1 91.0(12) 2_665 2_665 ?
O20 Co1 O1 167.2(8) . 2_665 ?
O2 Co1 O1 179.3(3) . 2_665 ?
O Co1 N1 87.84(14) . . ?
O3 Co1 N1 176.2(5) 2_665 . ?
O31 Co1 N1 177.7(9) 2_665 . ?
O20 Co1 N1 83.1(7) . . ?
O2 Co1 N1 90.9(4) . . ?
O1 Co1 N1 88.84(13) 2_665 . ?
O Co1 O21 90.6(7) . . ?
O3 Co1 O21 94.1(10) 2_665 . ?
O31 Co1 O21 97.4(14) 2_665 . ?
O20 Co1 O21 7.2(11) . . ?
O2 Co1 O21 8.9(9) . . ?
O1 Co1 O21 171.1(9) 2_665 . ?
N1 Co1 O21 82.7(8) . . ?
O Co1 N2 169.29(17) . . ?
O3 Co1 N2 99.7(4) 2_665 . ?
O31 Co1 N2 95.3(9) 2_665 . ?
O20 Co1 N2 85.5(7) . . ?
O2 Co1 N2 97.2(3) . . ?
O1 Co1 N2 83.48(12) 2_665 . ?
N1 Co1 N2 82.46(14) . . ?
O21 Co1 N2 92.6(8) . . ?
O Co1 O30 93.3(4) . 2_665 ?
O3 Co1 O30 12.8(6) 2_665 2_665 ?
O31 Co1 O30 9.2(13) 2_665 2_665 ?
O20 Co1 O30 105.8(9) . 2_665 ?
O2 Co1 O30 98.4(6) . 2_665 ?
O1 Co1 O30 81.9(5) 2_665 2_665 ?
N1 Co1 O30 170.7(5) . 2_665 ?
O21 Co1 O30 106.5(9) . 2_665 ?
N2 Co1 O30 95.5(4) . 2_665 ?
Co1 O Co1 116.20(10) 3_565 2_665 ?
Co1 O Co1 116.20(10) 3_565 . ?
Co1 O Co1 116.20(10) 2_665 . ?
N1 O1 Co1 111.4(2) . 3_565 ?
O1 N1 C14 121.9(3) . . ?
O1 N1 Co1 124.2(3) . . ?
C14 N1 Co1 113.9(3) . . ?
C15 N2 C1 114.1(4) . . ?
C15 N2 Co1 104.7(3) . . ?
C1 N2 Co1 141.0(3) . . ?
C7 N3 C6 114.9(4) . . ?
N2 C1 C2 119.8(4) . . ?
N2 C1 C6 119.8(4) . . ?
C2 C1 C6 120.4(4) . . ?
C3 C2 C1 118.6(5) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 121.7(5) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
C5 C4 C3 120.5(5) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.8(5) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
N3 C6 C5 118.5(5) . . ?
N3 C6 C1 123.5(4) . . ?
C5 C6 C1 118.0(4) . . ?
N3 C7 C15 121.6(4) . . ?
N3 C7 C8 131.3(4) . . ?
C15 C7 C8 107.1(3) . . ?
C9 C8 C13 119.9(4) . . ?
C9 C8 C7 132.0(4) . . ?
C13 C8 C7 108.1(4) . . ?
C8 C9 C10 118.7(4) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?
C11 C10 C9 121.2(4) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C10 C11 C12 120.9(4) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C13 118.4(4) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
C12 C13 C8 120.9(4) . . ?
C12 C13 C14 130.9(4) . . ?
C8 C13 C14 108.3(3) . . ?
N1 C14 C15 114.4(4) . . ?
N1 C14 C13 138.6(4) . . ?
C15 C14 C13 107.1(4) . . ?
N2 C15 C7 126.1(4) . . ?
N2 C15 C14 124.4(4) . . ?
C7 C15 C14 109.5(3) . . ?
C16 O2 Co1 127.4(6) . . ?
C16 O3 Co1 130.2(6) . 3_565 ?
O3 C16 O2 128.8(6) . . ?
O3 C16 C17 114.8(7) . . ?
O2 C16 C17 115.5(6) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C160 O20 Co1 127.7(9) . . ?
C160 O30 Co1 127.4(8) . 3_565 ?
O30 C160 O20 129.1(7) . . ?
O30 C160 C170 115.1(6) . . ?
O20 C160 C170 115.7(6) . . ?
C160 C170 H17D 109.5 . . ?
C160 C170 H17E 109.5 . . ?
H17D C170 H17E 109.5 . . ?
C160 C170 H17F 109.5 . . ?
H17D C170 H17F 109.5 . . ?
H17E C170 H17F 109.5 . . ?
C161 O21 Co1 128.1(14) . . ?
C161 O31 Co1 128.0(15) . 3_565 ?
O31 C161 O21 128.7(6) . . ?
O31 C161 C171 114.9(7) . . ?
O21 C161 C171 115.5(7) . . ?
C161 C171 H17G 109.5 . . ?
C161 C171 H17H 109.5 . . ?
H17G C171 H17H 109.5 . . ?
C161 C171 H17I 109.5 . . ?
H17G C171 H17I 109.5 . . ?
H17H C171 H17I 109.5 . . ?
C1M O1M H1M 109.5 . . ?
O1M C1M H1MA 109.5 . . ?
O1M C1M H1MB 109.5 . . ?
H1MA C1M H1MB 109.5 . . ?
O1M C1M H1MC 109.5 . . ?
H1MA C1M H1MC 109.5 . . ?
H1MB C1M H1MC 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
O3 Co1 O Co1 152.9(5) 2_665 . . 3_565 ?
O31 Co1 O Co1 156.2(12) 2_665 . . 3_565 ?
O20 Co1 O Co1 58.9(8) . . . 3_565 ?
O2 Co1 O Co1 67.1(4) . . . 3_565 ?
O1 Co1 O Co1 -112.7(2) 2_665 . . 3_565 ?
N1 Co1 O Co1 -23.9(3) . . . 3_565 ?
O21 Co1 O Co1 58.8(8) . . . 3_565 ?
N2 Co1 O Co1 -48.9(7) . . . 3_565 ?
O30 Co1 O Co1 165.4(6) 2_665 . . 3_565 ?
O3 Co1 O Co1 -64.9(5) 2_665 . . 2_665 ?
O31 Co1 O Co1 -61.5(12) 2_665 . . 2_665 ?
O20 Co1 O Co1 -158.9(8) . . . 2_665 ?
O2 Co1 O Co1 -150.6(4) . . . 2_665 ?
O1 Co1 O Co1 29.6(3) 2_665 . . 2_665 ?
N1 Co1 O Co1 118.4(2) . . . 2_665 ?
O21 Co1 O Co1 -158.9(8) . . . 2_665 ?
N2 Co1 O Co1 93.4(5) . . . 2_665 ?
O30 Co1 O Co1 -52.4(6) 2_665 . . 2_665 ?
Co1 O1 N1 C14 -169.0(3) 3_565 . . . ?
Co1 O1 N1 Co1 12.4(3) 3_565 . . . ?
O Co1 N1 O1 6.0(3) . . . . ?
O3 Co1 N1 O1 -54(5) 2_665 . . . ?
O31 Co1 N1 O1 -177(100) 2_665 . . . ?
O20 Co1 N1 O1 -92.1(7) . . . . ?
O2 Co1 N1 O1 -81.4(4) . . . . ?
O1 Co1 N1 O1 97.9(3) 2_665 . . . ?
O21 Co1 N1 O1 -84.9(8) . . . . ?
N2 Co1 N1 O1 -178.5(3) . . . . ?
O30 Co1 N1 O1 103(2) 2_665 . . . ?
O Co1 N1 C14 -172.6(3) . . . . ?
O3 Co1 N1 C14 128(5) 2_665 . . . ?
O31 Co1 N1 C14 5(31) 2_665 . . . ?
O20 Co1 N1 C14 89.2(7) . . . . ?
O2 Co1 N1 C14 99.9(4) . . . . ?
O1 Co1 N1 C14 -80.8(3) 2_665 . . . ?
O21 Co1 N1 C14 96.5(8) . . . . ?
N2 Co1 N1 C14 2.8(3) . . . . ?
O30 Co1 N1 C14 -75(2) 2_665 . . . ?
O Co1 N2 C15 22.1(7) . . . . ?
O3 Co1 N2 C15 -180.0(5) 2_665 . . . ?
O31 Co1 N2 C15 177.0(12) 2_665 . . . ?
O20 Co1 N2 C15 -86.7(7) . . . . ?
O2 Co1 N2 C15 -93.1(4) . . . . ?
O1 Co1 N2 C15 86.6(3) 2_665 . . . ?
N1 Co1 N2 C15 -3.1(3) . . . . ?
O21 Co1 N2 C15 -85.4(8) . . . . ?
O30 Co1 N2 C15 167.7(6) 2_665 . . . ?
O Co1 N2 C1 -152.5(5) . . . . ?
O3 Co1 N2 C1 5.3(6) 2_665 . . . ?
O31 Co1 N2 C1 2.3(12) 2_665 . . . ?
O20 Co1 N2 C1 98.6(8) . . . . ?
O2 Co1 N2 C1 92.3(5) . . . . ?
O1 Co1 N2 C1 -88.1(4) 2_665 . . . ?
N1 Co1 N2 C1 -177.8(4) . . . . ?
O21 Co1 N2 C1 99.9(8) . . . . ?
O30 Co1 N2 C1 -6.9(6) 2_665 . . . ?
C15 N2 C1 C2 179.9(4) . . . . ?
Co1 N2 C1 C2 -5.8(6) . . . . ?
C15 N2 C1 C6 0.6(5) . . . . ?
Co1 N2 C1 C6 175.0(3) . . . . ?
N2 C1 C2 C3 -178.5(4) . . . . ?
C6 C1 C2 C3 0.8(6) . . . . ?
C1 C2 C3 C4 -0.6(7) . . . . ?
C2 C3 C4 C5 -0.3(8) . . . . ?
C3 C4 C5 C6 1.0(7) . . . . ?
C7 N3 C6 C5 -178.6(4) . . . . ?
C7 N3 C6 C1 0.8(6) . . . . ?
C4 C5 C6 N3 178.7(4) . . . . ?
C4 C5 C6 C1 -0.7(6) . . . . ?
N2 C1 C6 N3 -0.3(6) . . . . ?
C2 C1 C6 N3 -179.6(4) . . . . ?
N2 C1 C6 C5 179.1(4) . . . . ?
C2 C1 C6 C5 -0.2(6) . . . . ?
C6 N3 C7 C15 -1.6(5) . . . . ?
C6 N3 C7 C8 178.5(4) . . . . ?
N3 C7 C8 C9 -0.9(8) . . . . ?
C15 C7 C8 C9 179.2(4) . . . . ?
N3 C7 C8 C13 179.2(4) . . . . ?
C15 C7 C8 C13 -0.7(4) . . . . ?
C13 C8 C9 C10 1.2(6) . . . . ?
C7 C8 C9 C10 -178.8(4) . . . . ?
C8 C9 C10 C11 -1.0(7) . . . . ?
C9 C10 C11 C12 -0.3(7) . . . . ?
C10 C11 C12 C13 1.3(6) . . . . ?
C11 C12 C13 C8 -1.1(6) . . . . ?
C11 C12 C13 C14 178.5(4) . . . . ?
C9 C8 C13 C12 -0.2(6) . . . . ?
C7 C8 C13 C12 179.8(4) . . . . ?
C9 C8 C13 C14 -179.8(4) . . . . ?
C7 C8 C13 C14 0.2(4) . . . . ?
O1 N1 C14 C15 179.4(3) . . . . ?
Co1 N1 C14 C15 -1.9(4) . . . . ?
O1 N1 C14 C13 0.4(7) . . . . ?
Co1 N1 C14 C13 179.1(4) . . . . ?
C12 C13 C14 N1 -0.1(8) . . . . ?
C8 C13 C14 N1 179.5(5) . . . . ?
C12 C13 C14 C15 -179.1(4) . . . . ?
C8 C13 C14 C15 0.5(4) . . . . ?
C1 N2 C15 C7 -1.5(6) . . . . ?
Co1 N2 C15 C7 -177.8(3) . . . . ?
C1 N2 C15 C14 179.7(3) . . . . ?
Co1 N2 C15 C14 3.3(4) . . . . ?
N3 C7 C15 N2 2.2(6) . . . . ?
C8 C7 C15 N2 -177.9(4) . . . . ?
N3 C7 C15 C14 -178.9(4) . . . . ?
C8 C7 C15 C14 1.0(4) . . . . ?
N1 C14 C15 N2 -1.3(6) . . . . ?
C13 C14 C15 N2 178.1(4) . . . . ?
N1 C14 C15 C7 179.7(3) . . . . ?
C13 C14 C15 C7 -1.0(4) . . . . ?
O Co1 O2 C16 -36.3(13) . . . . ?
O3 Co1 O2 C16 -126.8(14) 2_665 . . . ?
O31 Co1 O2 C16 -130.8(14) 2_665 . . . ?
O20 Co1 O2 C16 105(3) . . . . ?
O1 Co1 O2 C16 -18(32) 2_665 . . . ?
N1 Co1 O2 C16 51.5(13) . . . . ?
O21 Co1 O2 C16 74(5) . . . . ?
N2 Co1 O2 C16 134.0(13) . . . . ?
O30 Co1 O2 C16 -129.3(14) 2_665 . . . ?
Co1 O3 C16 O2 -2(3) 3_565 . . . ?
Co1 O3 C16 C17 167.2(17) 3_565 . . . ?
Co1 O2 C16 O3 8(3) . . . . ?
Co1 O2 C16 C17 -161.4(16) . . . . ?
O Co1 O20 C160 -35(2) . . . . ?
O3 Co1 O20 C160 -126(2) 2_665 . . . ?
O31 Co1 O20 C160 -130(2) 2_665 . . . ?
O2 Co1 O20 C160 -74(2) . . . . ?
O1 Co1 O20 C160 104(2) 2_665 . . . ?
N1 Co1 O20 C160 52(2) . . . . ?
O21 Co1 O20 C160 -34(9) . . . . ?
N2 Co1 O20 C160 135(2) . . . . ?
O30 Co1 O20 C160 -131(2) 2_665 . . . ?
Co1 O30 C160 O20 -3(4) 3_565 . . . ?
Co1 O30 C160 C170 174.8(13) 3_565 . . . ?
Co1 O20 C160 O30 9(4) . . . . ?
Co1 O20 C160 C170 -168.2(17) . . . . ?
O Co1 O21 C161 -21(3) . . . . ?
O3 Co1 O21 C161 -111(2) 2_665 . . . ?
O31 Co1 O21 C161 -116(3) 2_665 . . . ?
O20 Co1 O21 C161 159(13) . . . . ?
O2 Co1 O21 C161 -90(6) . . . . ?
O1 Co1 O21 C161 85(5) 2_665 . . . ?
N1 Co1 O21 C161 67(3) . . . . ?
N2 Co1 O21 C161 149(3) . . . . ?
O30 Co1 O21 C161 -115(2) 2_665 . . . ?
Co1 O31 C161 O21 14(5) 3_565 . . . ?
Co1 O31 C161 C171 -154(3) 3_565 . . . ?
Co1 O21 C161 O31 -15(5) . . . . ?
Co1 O21 C161 C171 153(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.089


_database_code_depnum_ccdc_archive 'CCDC 989901'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_at503a

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C140.70 H84.40 Co7 N27 O17.70, 4.6(C H4 O), 3.3(H2 O)'
_chemical_formula_sum            'C145.30 H110 Co7 N27 O25.60'
_chemical_formula_weight         3056.31

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                   16.817(7)
_cell_length_b                   18.486(8)
_cell_length_c                   22.062(10)
_cell_angle_alpha                85.44(5)
_cell_angle_beta                 87.91(5)
_cell_angle_gamma                81.35(5)
_cell_volume                     6757(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4783
_cell_measurement_theta_min      2.84
_cell_measurement_theta_max      36.88

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_F_000             3129
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2388
_exptl_crystal_size_mid          0.1067
_exptl_crystal_size_min          0.0386
_exptl_absorpt_coefficient_mu    0.923
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_special_details           
;
We assumed that bridging between Co2 and Co7 are water(o3)/methanolate(C1D) and these are 
cooperatively disordered with acetate/water coordinated to Co7.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Kuma KM4 with Sapphire CCD detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            63201
_diffrn_reflns_av_unetI/netI     0.5385
_diffrn_reflns_av_R_equivalents  0.2300
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.840
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             26415
_reflns_number_gt                5745
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 20011)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         26415
_refine_ls_number_parameters     1789
_refine_ls_number_restraints     158
_refine_ls_R_factor_all          0.3132
_refine_ls_R_factor_gt           0.0618
_refine_ls_wR_factor_ref         0.0848
_refine_ls_wR_factor_gt          0.0671
_refine_ls_goodness_of_fit_ref   0.690
_refine_ls_restrained_S_all      0.693
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001

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 0.20146(6) 0.28223(5) 0.24199(5) 0.0391(3) Uani 1 1 d . . . . .
Co2 Co 0.24578(7) 0.20321(6) 0.39229(5) 0.0563(4) Uani 1 1 d . . . . .
Co3 Co 0.15753(6) 0.40264(5) 0.33815(5) 0.0426(3) Uani 1 1 d . . . . .
Co4 Co 0.13314(6) 0.45468(5) 0.16598(5) 0.0383(3) Uani 1 1 d . . . . .
Co5 Co 0.13348(6) 0.31554(5) 0.09383(5) 0.0414(3) Uani 1 1 d D . . . .
Co6 Co 0.25573(6) 0.13502(5) 0.12750(5) 0.0387(3) Uani 1 1 d . . . . .
Co7 Co 0.30893(7) 0.11372(6) 0.28314(5) 0.0571(4) Uani 1 1 d . . . . .
O1 O 0.1246(2) 0.3425(2) 0.18177(18) 0.0307(13) Uani 1 1 d . . . . .
H1 H 0.0775 0.3390 0.1945 0.037 Uiso 1 1 calc R U . . .
O2 O 0.2772(3) 0.2211(2) 0.30281(19) 0.0407(14) Uani 1 1 d . . . . .
H2 H 0.3198 0.2400 0.3016 0.049 Uiso 1 1 calc R U . . .
O3 O 0.2230(3) 0.1003(3) 0.3611(2) 0.0744(19) Uani 1 1 d . . . . .
H3A H 0.1748 0.1010 0.3504 0.089 Uiso 0.7 1 d R U P C .
H3B H 0.2377 0.0633 0.3856 0.089 Uiso 0.7 1 d R U P . .
O11 O 0.1150(3) 0.3058(2) 0.3175(2) 0.0401(15) Uani 1 1 d . . . . .
N11 N 0.1316(4) 0.2583(3) 0.3669(3) 0.048(2) Uani 1 1 d . . . . .
N21 N 0.1712(4) 0.1765(4) 0.4724(3) 0.071(3) Uani 1 1 d D . . . .
N31 N 0.0250(4) 0.1647(4) 0.5506(3) 0.095(3) Uani 1 1 d D . . . .
C11 C 0.1721(4) 0.1417(5) 0.5311(4) 0.091(4) Uani 1 1 d D . . . .
C21 C 0.2489(5) 0.1099(5) 0.5532(3) 0.088(4) Uani 1 1 d D . . . .
H21A H 0.2960 0.1155 0.5293 0.106 Uiso 1 1 calc R U . . .
C31 C 0.2553(6) 0.0707(6) 0.6096(4) 0.157(6) Uani 1 1 d D . . . .
H31B H 0.3060 0.0453 0.6224 0.189 Uiso 1 1 calc R U . . .
C41 C 0.1873(5) 0.0686(6) 0.6474(4) 0.152(6) Uani 1 1 d D . . . .
H41A H 0.1926 0.0484 0.6883 0.183 Uiso 1 1 calc R U . . .
C51 C 0.1126(5) 0.0960(6) 0.6252(4) 0.129(5) Uani 1 1 d D . . . .
H51A H 0.0664 0.0875 0.6492 0.155 Uiso 1 1 calc R U . . .
C61 C 0.1018(5) 0.1355(5) 0.5690(4) 0.097(4) Uani 1 1 d D . . . .
C71 C 0.0248(4) 0.1982(4) 0.4948(4) 0.072(3) Uani 1 1 d D . . . .
C81 C -0.0426(5) 0.2366(4) 0.4628(3) 0.074(3) Uani 1 1 d D . . . .
C91 C -0.1252(5) 0.2493(5) 0.4780(4) 0.088(4) Uani 1 1 d D . . . .
H91A H -0.1449 0.2312 0.5163 0.106 Uiso 1 1 calc R U . . .
C101 C -0.1793(5) 0.2900(5) 0.4343(4) 0.096(4) Uani 1 1 d D . . . .
H10A H -0.2353 0.2989 0.4438 0.115 Uiso 1 1 calc R U . . .
C111 C -0.1507(5) 0.3160(5) 0.3792(4) 0.091(4) Uani 1 1 d D . . . .
H11A H -0.1875 0.3419 0.3505 0.110 Uiso 1 1 calc R U . . .
C121 C -0.0684(5) 0.3053(4) 0.3644(3) 0.056(3) Uani 1 1 d D . . . .
H12A H -0.0487 0.3246 0.3265 0.068 Uiso 1 1 calc R U . . .
C131 C -0.0168(5) 0.2660(4) 0.4060(3) 0.052(3) Uani 1 1 d D . . . .
C141 C 0.0704(4) 0.2458(4) 0.4028(3) 0.051(3) Uani 1 1 d D . . . .
C151 C 0.0968(4) 0.2014(4) 0.4600(4) 0.060(3) Uani 1 1 d D . . . .
O12 O 0.0461(3) 0.4836(2) 0.2317(2) 0.0368(14) Uani 1 1 d . . . . .
N12 N 0.0568(4) 0.4609(3) 0.2893(3) 0.0376(18) Uani 1 1 d . . . . .
N22 N 0.0687(4) 0.4150(3) 0.4162(3) 0.0412(19) Uani 1 1 d . . . . .
N32 N -0.0873(5) 0.4429(4) 0.4784(4) 0.056(2) Uani 1 1 d . . . . .
C12 C 0.0597(6) 0.3912(4) 0.4774(4) 0.043(2) Uani 1 1 d . . . . .
C22 C 0.1245(5) 0.3530(4) 0.5122(4) 0.049(2) Uani 1 1 d . . . . .
H22A H 0.1764 0.3434 0.4935 0.059 Uiso 1 1 calc R U . . .
C32 C 0.1138(6) 0.3301(4) 0.5713(4) 0.061(3) Uani 1 1 d . . . . .
H32B H 0.1578 0.3038 0.5934 0.073 Uiso 1 1 calc R U . . .
C42 C 0.0383(7) 0.3450(5) 0.5999(4) 0.069(3) Uani 1 1 d . . . . .
H42A H 0.0320 0.3295 0.6416 0.083 Uiso 1 1 calc R U . . .
C52 C -0.0259(6) 0.3810(5) 0.5694(5) 0.069(3) Uani 1 1 d . . . . .
H52A H -0.0768 0.3890 0.5898 0.083 Uiso 1 1 calc R U . . .
C62 C -0.0189(6) 0.4070(5) 0.5071(5) 0.053(3) Uani 1 1 d . . . . .
C72 C -0.0754(5) 0.4638(4) 0.4205(4) 0.043(2) Uani 1 1 d . . . . .
C82 C -0.1326(6) 0.5023(4) 0.3753(5) 0.053(3) Uani 1 1 d . . . . .
C92 C -0.2117(6) 0.5259(5) 0.3844(4) 0.063(3) Uani 1 1 d . . . . .
H92A H -0.2373 0.5181 0.4230 0.076 Uiso 1 1 calc R U . . .
C102 C -0.2531(6) 0.5610(5) 0.3368(5) 0.075(3) Uani 1 1 d . . . . .
H10B H -0.3088 0.5789 0.3415 0.090 Uiso 1 1 calc R U . . .
C112 C -0.2125(5) 0.5715(4) 0.2783(4) 0.061(3) Uani 1 1 d . . . . .
H11B H -0.2412 0.5966 0.2447 0.073 Uiso 1 1 calc R U . . .
C122 C -0.1298(5) 0.5440(4) 0.2718(4) 0.057(3) Uani 1 1 d . . . . .
H12C H -0.1025 0.5503 0.2338 0.068 Uiso 1 1 calc R U . . .
C132 C -0.0896(6) 0.5084(4) 0.3205(4) 0.043(2) Uani 1 1 d . . . . .
C142 C -0.0058(5) 0.4762(4) 0.3273(4) 0.037(2) Uani 1 1 d . . . . .
C152 C 0.0014(6) 0.4507(4) 0.3899(4) 0.046(2) Uani 1 1 d . . . . .
O13 O 0.2800(3) 0.2939(3) 0.4248(2) 0.0515(16) Uani 1 1 d . . . . .
N13 N 0.2523(4) 0.3608(4) 0.4002(3) 0.048(2) Uani 1 1 d . . . . .
N23 N 0.2032(4) 0.5079(4) 0.3543(3) 0.0420(19) Uani 1 1 d . . . . .
N33 N 0.2840(4) 0.6095(4) 0.4123(4) 0.065(2) Uani 1 1 d . . . . .
C13 C 0.1929(5) 0.5833(5) 0.3336(4) 0.050(2) Uani 1 1 d . . . . .
C23 C 0.1438(5) 0.6099(5) 0.2861(4) 0.051(2) Uani 1 1 d . . . . .
H23A H 0.1167 0.5767 0.2670 0.061 Uiso 1 1 calc R U . . .
C33 C 0.1324(5) 0.6813(5) 0.2653(4) 0.068(3) Uani 1 1 d . . . . .
H33B H 0.1001 0.6976 0.2310 0.081 Uiso 1 1 calc R U . . .
C43 C 0.1688(7) 0.7299(5) 0.2952(5) 0.119(5) Uani 1 1 d . . . . .
H43A H 0.1574 0.7809 0.2834 0.143 Uiso 1 1 calc R U . . .
C53 C 0.2214(7) 0.7062(5) 0.3419(5) 0.102(4) Uani 1 1 d . . . . .
H53A H 0.2487 0.7404 0.3596 0.122 Uiso 1 1 calc R U . . .
C63 C 0.2347(5) 0.6310(5) 0.3635(4) 0.054(3) Uani 1 1 d . . . . .
C73 C 0.2951(5) 0.5395(5) 0.4275(4) 0.043(2) Uani 1 1 d . . . . .
C83 C 0.3448(5) 0.4951(6) 0.4731(4) 0.055(3) Uani 1 1 d . . . . .
C93 C 0.3922(6) 0.5169(6) 0.5156(5) 0.069(3) Uani 1 1 d . . . . .
H93A H 0.3964 0.5673 0.5179 0.083 Uiso 1 1 calc R U . . .
C103 C 0.4338(6) 0.4634(7) 0.5550(4) 0.078(3) Uani 1 1 d . . . . .
H10C H 0.4692 0.4761 0.5837 0.093 Uiso 1 1 calc R U . . .
C113 C 0.4227(6) 0.3909(6) 0.5518(4) 0.075(3) Uani 1 1 d . . . . .
H11C H 0.4491 0.3556 0.5810 0.090 Uiso 1 1 calc R U . . .
C123 C 0.3764(6) 0.3657(6) 0.5099(4) 0.068(3) Uani 1 1 d . . . . .
H12D H 0.3733 0.3150 0.5079 0.082 Uiso 1 1 calc R U . . .
C133 C 0.3351(5) 0.4193(6) 0.4712(4) 0.055(3) Uani 1 1 d . . . . .
C143 C 0.2811(5) 0.4148(5) 0.4226(4) 0.042(2) Uani 1 1 d . . . . .
C153 C 0.2546(5) 0.4885(5) 0.3979(4) 0.039(2) Uani 1 1 d . . . . .
O14 O 0.2401(3) 0.3858(2) 0.2695(2) 0.0377(15) Uani 1 1 d . . . . .
N14 N 0.2257(4) 0.4417(3) 0.2280(3) 0.0378(18) Uani 1 1 d . . . . .
N24 N 0.1906(4) 0.5572(3) 0.1391(3) 0.0386(18) Uani 1 1 d . . . . .
N34 N 0.3252(4) 0.6369(3) 0.1136(3) 0.0451(18) Uani 1 1 d . . . . .
C14 C 0.1890(5) 0.6105(4) 0.0919(4) 0.038(2) Uani 1 1 d . . . . .
C24 C 0.1237(5) 0.6267(4) 0.0523(4) 0.048(2) Uani 1 1 d . . . . .
H24A H 0.0772 0.6038 0.0612 0.057 Uiso 1 1 calc R U . . .
C34 C 0.1247(5) 0.6746(4) 0.0012(4) 0.047(2) Uani 1 1 d . . . . .
H34B H 0.0797 0.6843 -0.0245 0.056 Uiso 1 1 calc R U . . .
C44 C 0.1945(6) 0.7097(4) -0.0129(4) 0.057(3) Uani 1 1 d . . . . .
H44A H 0.1962 0.7414 -0.0488 0.069 Uiso 1 1 calc R U . . .
C54 C 0.2590(5) 0.6978(4) 0.0255(4) 0.047(2) Uani 1 1 d . . . . .
H54A H 0.3041 0.7227 0.0171 0.057 Uiso 1 1 calc R U . . .
C64 C 0.2570(5) 0.6467(4) 0.0786(4) 0.044(2) Uani 1 1 d . . . . .
C74 C 0.3221(5) 0.5880(4) 0.1587(4) 0.036(2) Uani 1 1 d . . . . .
C84 C 0.3798(5) 0.5592(4) 0.2067(4) 0.048(2) Uani 1 1 d . . . . .
C94 C 0.4504(5) 0.5843(4) 0.2191(4) 0.072(3) Uani 1 1 d . . . . .
H94A H 0.4695 0.6240 0.1960 0.087 Uiso 1 1 calc R U . . .
C104 C 0.4909(6) 0.5460(5) 0.2687(4) 0.076(3) Uiso 1 1 d . . . . .
H10D H 0.5400 0.5617 0.2782 0.091 Uiso 1 1 calc R U . . .
C114 C 0.4687(5) 0.4884(4) 0.3054(3) 0.059(3) Uani 1 1 d . . . . .
H11D H 0.5001 0.4658 0.3385 0.071 Uiso 1 1 calc R U . . .
C124 C 0.3962(5) 0.4649(4) 0.2906(4) 0.059(3) Uiso 1 1 d . . . . .
H12E H 0.3776 0.4249 0.3137 0.071 Uiso 1 1 calc R U . . .
C134 C 0.3527(5) 0.5003(4) 0.2426(4) 0.051(2) Uiso 1 1 d . . . . .
C144 C 0.2763(5) 0.4900(4) 0.2181(3) 0.034(2) Uiso 1 1 d . . . . .
C154 C 0.2572(5) 0.5471(4) 0.1706(3) 0.036(2) Uiso 1 1 d . . . . .
N15 N 0.2519(8) 0.4386(6) 0.0762(6) 0.044(4) Uiso 0.5 1 d . . P A 1
O15 O 0.1955(7) 0.4054(6) 0.0931(7) 0.052(4) Uiso 0.5 1 d . . P A 1
N25 N 0.1668(5) 0.3306(5) -0.0043(3) 0.046(4) Uiso 0.5 1 d D . P A 1
N35 N 0.2312(6) 0.3448(6) -0.1315(3) 0.048(5) Uiso 0.5 1 d D . P A 1
C15 C 0.1357(6) 0.3018(7) -0.0537(4) 0.023(4) Uiso 0.5 1 d D . P A 1
C25 C 0.0688(6) 0.2638(7) -0.0407(4) 0.079(6) Uiso 0.5 1 d D . P A 1
H25A H 0.0481 0.2588 -0.0002 0.095 Uiso 0.5 1 calc R U P A 1
C35 C 0.0337(8) 0.2340(9) -0.0870(5) 0.061(7) Uiso 0.5 1 d D . P A 1
H35B H -0.0080 0.2052 -0.0776 0.074 Uiso 0.5 1 calc R U P A 1
C45 C 0.0594(7) 0.2463(7) -0.1472(4) 0.052(5) Uiso 0.5 1 d D . P A 1
H45A H 0.0325 0.2294 -0.1792 0.062 Uiso 0.5 1 calc R U P A 1
C55 C 0.1240(7) 0.2830(8) -0.1600(4) 0.074(6) Uiso 0.5 1 d D . P A 1
H55A H 0.1409 0.2907 -0.2013 0.089 Uiso 0.5 1 calc R U P A 1
C65 C 0.1657(6) 0.3095(6) -0.1153(4) 0.045(5) Uiso 0.5 1 d D . P A 1
C75 C 0.2572(7) 0.3758(7) -0.0848(4) 0.056(7) Uiso 0.5 1 d D . P A 1
C85 C 0.3180(7) 0.4217(6) -0.0860(3) 0.027(5) Uiso 0.5 1 d D . P A 1
C95 C 0.3672(9) 0.4473(9) -0.1334(4) 0.081(11) Uiso 0.5 1 d D . P A 1
H95A H 0.3618 0.4353 -0.1740 0.097 Uiso 0.5 1 calc R U P A 1
C105 C 0.4257(8) 0.4921(7) -0.1191(5) 0.071(6) Uiso 0.5 1 d D . P A 1
H10E H 0.4624 0.5067 -0.1499 0.085 Uiso 0.5 1 calc R U P A 1
C115 C 0.4291(7) 0.5140(7) -0.0615(4) 0.058(5) Uiso 0.5 1 d D . P A 1
H11E H 0.4658 0.5462 -0.0534 0.070 Uiso 0.5 1 calc R U P A 1
C125 C 0.3794(7) 0.4897(7) -0.0143(4) 0.059(5) Uiso 0.5 1 d D . P A 1
H12F H 0.3838 0.5030 0.0261 0.071 Uiso 0.5 1 calc R U P A 1
C135 C 0.3241(7) 0.4463(6) -0.0279(4) 0.043(5) Uiso 0.5 1 d D . P A 1
C145 C 0.2628(6) 0.4162(6) 0.0107(3) 0.034(4) Uiso 0.5 1 d D . P A 1
C155 C 0.2224(6) 0.3680(6) -0.0256(3) 0.029(4) Uiso 0.5 1 d D . P A 1
O1K O 0.2230(7) 0.4237(5) 0.1047(5) 0.014(3) Uiso 0.5 1 d . . P A 2
N1K N 0.2064(6) 0.3879(5) 0.0544(5) 0.022(3) Uiso 0.5 1 d D . P A 2
N025 N 0.1382(6) 0.3102(6) -0.0321(3) 0.034(4) Uiso 0.5 1 d D . P A 2
N035 N 0.2220(6) 0.3432(6) -0.1501(3) 0.035(5) Uiso 0.5 1 d D . P A 2
C1K C 0.1194(5) 0.2861(5) -0.0877(4) 0.020(4) Uiso 0.5 1 d D . P A 2
C2K C 0.0524(7) 0.2473(8) -0.0867(4) 0.032(5) Uiso 0.5 1 d D . P A 2
H2KA H 0.0231 0.2395 -0.0497 0.039 Uiso 0.5 1 calc R U P A 2
C3K C 0.0296(7) 0.2208(7) -0.1395(4) 0.054(5) Uiso 0.5 1 d D . P A 2
H3KA H -0.0127 0.1919 -0.1380 0.065 Uiso 0.5 1 calc R U P A 2
C4K C 0.0686(6) 0.2365(6) -0.1947(4) 0.048(5) Uiso 0.5 1 d D . P A 2
H4KA H 0.0504 0.2215 -0.2314 0.057 Uiso 0.5 1 calc R U P A 2
C5K C 0.1336(6) 0.2737(6) -0.1960(4) 0.036(4) Uiso 0.5 1 d D . P A 2
H5KA H 0.1622 0.2805 -0.2334 0.044 Uiso 0.5 1 calc R U P A 2
C6K C 0.1594(7) 0.3019(7) -0.1447(4) 0.046(5) Uiso 0.5 1 d D . P A 2
C7K C 0.2387(6) 0.3667(6) -0.0970(3) 0.017(4) Uiso 0.5 1 d D . P A 2
C8K C 0.2942(7) 0.4151(6) -0.0866(3) 0.035(6) Uiso 0.5 1 d D . P A 2
C9K C 0.3526(8) 0.4442(7) -0.1245(4) 0.039(7) Uiso 0.5 1 d D . P A 2
H9KA H 0.3606 0.4319 -0.1655 0.047 Uiso 0.5 1 calc R U P A 2
C10K C 0.3998(8) 0.4930(8) -0.0998(5) 0.066(6) Uiso 0.5 1 d D . P A 2
H10F H 0.4370 0.5157 -0.1255 0.079 Uiso 0.5 1 calc R U P A 2
C11K C 0.3916(6) 0.5070(6) -0.0397(4) 0.022(4) Uiso 0.5 1 d D . P A 2
H11F H 0.4250 0.5376 -0.0237 0.026 Uiso 0.5 1 calc R U P A 2
C12K C 0.3350(6) 0.4768(5) -0.0013(4) 0.021(4) Uiso 0.5 1 d D . P A 2
H12G H 0.3290 0.4872 0.0402 0.026 Uiso 0.5 1 calc R U P A 2
C13K C 0.2884(6) 0.4318(5) -0.0254(3) 0.018(4) Uiso 0.5 1 d D . P A 2
C14K C 0.2298(6) 0.3891(6) 0.0043(3) 0.019(4) Uiso 0.5 1 d D . P A 2
C15K C 0.1965(6) 0.3486(5) -0.0426(3) 0.021(4) Uiso 0.5 1 d D . P A 2
O16 O 0.2515(3) 0.2479(2) 0.1191(2) 0.0397(14) Uani 1 1 d . . . . .
N16 N 0.2888(4) 0.2688(3) 0.1683(3) 0.0366(18) Uani 1 1 d . . . . .
N26 N 0.4099(4) 0.2854(3) 0.2622(3) 0.0430(19) Uani 1 1 d . . . . .
N36 N 0.5560(4) 0.3170(3) 0.2031(4) 0.048(2) Uani 1 1 d . . . . .
C16 C 0.4764(5) 0.2942(4) 0.2962(4) 0.045(2) Uani 1 1 d . . . . .
C26 C 0.4673(5) 0.2904(4) 0.3598(4) 0.055(3) Uani 1 1 d . . . . .
H26B H 0.4185 0.2801 0.3794 0.067 Uiso 1 1 calc R U . . .
C36 C 0.5309(6) 0.3018(5) 0.3927(4) 0.067(3) Uani 1 1 d . . . . .
H36B H 0.5272 0.2982 0.4359 0.081 Uiso 1 1 calc R U . . .
C46 C 0.6012(6) 0.3187(5) 0.3631(4) 0.073(3) Uani 1 1 d . . . . .
H46A H 0.6445 0.3268 0.3870 0.087 Uiso 1 1 calc R U . . .
C56 C 0.6106(5) 0.3241(5) 0.3013(5) 0.072(3) Uani 1 1 d . . . . .
H56A H 0.6595 0.3355 0.2827 0.087 Uiso 1 1 calc R U . . .
C66 C 0.5464(5) 0.3123(4) 0.2655(4) 0.049(3) Uani 1 1 d . . . . .
C76 C 0.4923(5) 0.3065(4) 0.1738(4) 0.033(2) Uani 1 1 d . . . . .
C86 C 0.4864(5) 0.3017(4) 0.1090(4) 0.033(2) Uani 1 1 d . . . . .
C96 C 0.5409(5) 0.3099(4) 0.0612(4) 0.046(2) Uani 1 1 d . . . . .
H96A H 0.5928 0.3210 0.0686 0.055 Uiso 1 1 calc R U . . .
C106 C 0.5184(5) 0.3016(4) 0.0008(4) 0.045(2) Uani 1 1 d . . . . .
H10G H 0.5551 0.3079 -0.0323 0.054 Uiso 1 1 calc R U . . .
C116 C 0.4447(5) 0.2849(3) -0.0092(4) 0.035(2) Uani 1 1 d . . . . .
H11G H 0.4309 0.2785 -0.0496 0.042 Uiso 1 1 calc R U . . .
C126 C 0.3887(4) 0.2765(3) 0.0376(4) 0.036(2) Uani 1 1 d . . . . .
H12H H 0.3372 0.2652 0.0290 0.043 Uiso 1 1 calc R U . . .
C136 C 0.4082(5) 0.2850(3) 0.0973(4) 0.029(2) Uani 1 1 d . . . . .
C146 C 0.3627(5) 0.2816(4) 0.1560(4) 0.034(2) Uani 1 1 d . . . . .
C156 C 0.4200(5) 0.2921(4) 0.2029(4) 0.035(2) Uani 1 1 d . . . . .
O17 O 0.3970(3) 0.1171(3) 0.2183(3) 0.0583(18) Uani 1 1 d . . . . .
N17 N 0.3743(4) 0.1136(3) 0.1623(4) 0.050(2) Uani 1 1 d . . . . .
N27 N 0.3260(4) 0.1148(3) 0.0398(3) 0.0406(19) Uani 1 1 d . . . . .
N37 N 0.4649(5) 0.0916(4) -0.0417(4) 0.058(2) Uani 1 1 d . . . . .
C17 C 0.3143(6) 0.1117(4) -0.0224(5) 0.046(3) Uani 1 1 d . . . . .
C27 C 0.2394(6) 0.1208(4) -0.0467(4) 0.045(2) Uani 1 1 d . . . . .
H27A H 0.1928 0.1313 -0.0214 0.054 Uiso 1 1 calc R U . . .
C37 C 0.2325(5) 0.1147(4) -0.1057(5) 0.057(3) Uani 1 1 d . . . . .
H37B H 0.1799 0.1220 -0.1216 0.069 Uiso 1 1 calc R U . . .
C47 C 0.2966(7) 0.0986(5) -0.1455(5) 0.083(4) Uani 1 1 d . . . . .
H47A H 0.2877 0.0924 -0.1869 0.100 Uiso 1 1 calc R U . . .
C57 C 0.3719(7) 0.0918(4) -0.1251(5) 0.066(3) Uani 1 1 d . . . . .
H57A H 0.4162 0.0829 -0.1528 0.080 Uiso 1 1 calc R U . . .
C67 C 0.3865(7) 0.0977(4) -0.0619(5) 0.057(3) Uani 1 1 d . . . . .
C77 C 0.4706(6) 0.0961(4) 0.0163(5) 0.049(3) Uani 1 1 d . . . . .
C87 C 0.5423(6) 0.0960(4) 0.0532(5) 0.048(3) Uani 1 1 d . . . . .
C97 C 0.6209(7) 0.0947(4) 0.0350(5) 0.082(4) Uani 1 1 d . . . . .
H97A H 0.6366 0.0909 -0.0066 0.098 Uiso 1 1 calc R U . . .
C107 C 0.6787(8) 0.0991(6) 0.0790(7) 0.097(5) Uani 1 1 d . . . . .
H10H H 0.7338 0.0980 0.0676 0.117 Uiso 1 1 calc R U . . .
C117 C 0.6540(7) 0.1050(5) 0.1378(6) 0.094(4) Uani 1 1 d . . . . .
H11H H 0.6933 0.1075 0.1672 0.113 Uiso 1 1 calc R U . . .
C127 C 0.5726(7) 0.1075(4) 0.1578(5) 0.067(3) Uani 1 1 d . . . . .
H12I H 0.5568 0.1123 0.1993 0.081 Uiso 1 1 calc R U . . .
C137 C 0.5169(6) 0.1025(4) 0.1137(5) 0.048(3) Uani 1 1 d . . . . .
C147 C 0.4289(5) 0.1078(4) 0.1187(4) 0.037(2) Uani 1 1 d . . . . .
C157 C 0.4017(6) 0.1070(4) 0.0571(4) 0.042(2) Uani 1 1 d . . . . .
O18 O 0.0890(3) 0.2222(2) 0.0857(2) 0.0447(15) Uani 1 1 d . . . . .
N18 N 0.1359(3) 0.1589(3) 0.0946(3) 0.0369(18) Uani 1 1 d . . . . .
N28 N 0.2312(4) 0.0204(3) 0.1197(3) 0.043(2) Uani 1 1 d . . . . .
N38 N 0.1379(5) -0.0990(3) 0.1110(3) 0.071(2) Uani 1 1 d . . . . .
C18 C 0.2648(5) -0.0510(4) 0.1301(4) 0.044(2) Uani 1 1 d . . . . .
C28 C 0.3447(5) -0.0676(4) 0.1448(3) 0.051(3) Uani 1 1 d . . . . .
H28A H 0.3752 -0.0293 0.1496 0.061 Uiso 1 1 calc R U . . .
C38 C 0.3806(5) -0.1398(5) 0.1525(3) 0.061(3) Uani 1 1 d . . . . .
H38B H 0.4367 -0.1512 0.1593 0.073 Uiso 1 1 calc R U . . .
C48 C 0.3327(6) -0.1978(5) 0.1501(4) 0.076(3) Uani 1 1 d . . . . .
H48A H 0.3571 -0.2473 0.1574 0.091 Uiso 1 1 calc R U . . .
C58 C 0.2540(6) -0.1829(4) 0.1377(4) 0.062(3) Uani 1 1 d . . . . .
H58A H 0.2228 -0.2215 0.1359 0.074 Uiso 1 1 calc R U . . .
C68 C 0.2181(6) -0.1077(5) 0.1275(4) 0.062(3) Uani 1 1 d . . . . .
C78 C 0.1113(6) -0.0269(5) 0.0991(5) 0.080(3) Uani 1 1 d . . . . .
C88 C 0.0288(7) 0.0058(5) 0.0807(4) 0.076(3) Uiso 1 1 d . . . . .
C98 C -0.0422(6) -0.0222(5) 0.0717(5) 0.116(4) Uani 1 1 d . . . . .
H98A H -0.0433 -0.0735 0.0780 0.139 Uiso 1 1 calc R U . . .
C108 C -0.1099(6) 0.0235(5) 0.0538(6) 0.133(5) Uani 1 1 d . . . . .
H10I H -0.1573 0.0035 0.0468 0.159 Uiso 1 1 calc R U . . .
C118 C -0.1107(6) 0.0995(5) 0.0457(6) 0.148(6) Uani 1 1 d . . . . .
H11I H -0.1577 0.1302 0.0313 0.178 Uiso 1 1 calc R U . . .
C128 C -0.0447(5) 0.1300(5) 0.0582(4) 0.085(3) Uani 1 1 d . . . . .
H12J H -0.0466 0.1817 0.0547 0.102 Uiso 1 1 calc R U . . .
C138 C 0.0247(6) 0.0849(5) 0.0760(4) 0.056(3) Uiso 1 1 d . . . . .
C148 C 0.1035(5) 0.0989(5) 0.0888(4) 0.053(3) Uani 1 1 d . . . . .
C158 C 0.1578(6) 0.0299(4) 0.1041(4) 0.056(3) Uani 1 1 d . . . . .
O19 O 0.2187(3) 0.1281(2) 0.2174(2) 0.0488(16) Uani 1 1 d . . . . .
N19 N 0.1538(5) 0.1809(3) 0.2273(3) 0.046(2) Uani 1 1 d . . . . .
N29 N -0.0117(4) 0.2773(4) 0.2178(3) 0.0429(19) Uani 1 1 d . . . . .
N39 N -0.1327(5) 0.1856(5) 0.2053(4) 0.085(3) Uani 1 1 d . . . . .
C19 C -0.0912(6) 0.3072(5) 0.2050(3) 0.048(2) Uani 1 1 d . . . . .
C29 C -0.1133(5) 0.3814(4) 0.1977(3) 0.050(3) Uani 1 1 d . . . . .
H29B H -0.0747 0.4128 0.2029 0.059 Uiso 1 1 calc R U . . .
C39 C -0.1917(5) 0.4118(5) 0.1828(3) 0.052(2) Uani 1 1 d . . . . .
H39B H -0.2055 0.4637 0.1779 0.062 Uiso 1 1 calc R U . . .
C49 C -0.2503(5) 0.3677(5) 0.1751(4) 0.064(3) Uani 1 1 d . . . . .
H49A H -0.3030 0.3890 0.1633 0.077 Uiso 1 1 calc R U . . .
C59 C -0.2309(6) 0.2939(6) 0.1846(4) 0.064(3) Uani 1 1 d . . . . .
H59A H -0.2717 0.2638 0.1827 0.077 Uiso 1 1 calc R U . . .
C69 C -0.1535(7) 0.2616(6) 0.1969(4) 0.066(3) Uani 1 1 d . . . . .
C79 C -0.0570(7) 0.1600(5) 0.2185(4) 0.068(3) Uani 1 1 d . . . . .
C89 C -0.0184(7) 0.0845(5) 0.2254(5) 0.084(4) Uani 1 1 d . . . . .
C99 C 0.0039(5) 0.2059(5) 0.2225(4) 0.047(2) Uani 1 1 d . . . . .
C109 C -0.0534(7) 0.0186(6) 0.2269(6) 0.141(6) Uani 1 1 d . . . . .
H10J H -0.1088 0.0183 0.2201 0.169 Uiso 1 1 calc R U . . .
C119 C 0.0013(8) -0.0458(6) 0.2393(5) 0.119(5) Uani 1 1 d . . . . .
H11J H -0.0187 -0.0913 0.2414 0.142 Uiso 1 1 calc R U . . .
C129 C 0.0832(7) -0.0472(6) 0.2488(5) 0.098(4) Uani 1 1 d . . . . .
H12K H 0.1163 -0.0929 0.2578 0.117 Uiso 1 1 calc R U . . .
C139 C 0.1163(6) 0.0160(6) 0.2455(4) 0.086(4) Uani 1 1 d . . . . .
H13B H 0.1721 0.0152 0.2513 0.103 Uiso 1 1 calc R U . . .
C149 C 0.0659(7) 0.0807(5) 0.2335(5) 0.081(4) Uani 1 1 d . . . . .
C159 C 0.0843(6) 0.1577(5) 0.2313(4) 0.050(3) Uani 1 1 d . . . . .
O1A O 0.3522(4) 0.1486(3) 0.4265(3) 0.078(2) Uani 1 1 d . . . . .
O2A O 0.4051(4) 0.0970(3) 0.3420(3) 0.080(2) Uani 1 1 d . . . . .
C1A C 0.4031(7) 0.1085(5) 0.3958(6) 0.084(4) Uani 1 1 d . . . . .
C2A C 0.4792(6) 0.0794(6) 0.4320(5) 0.139(4) Uiso 1 1 d . . . . .
H2AA H 0.4918 0.1176 0.4569 0.209 Uiso 1 1 calc R U . . .
H2AB H 0.5244 0.0661 0.4037 0.209 Uiso 1 1 calc R U . . .
H2AC H 0.4701 0.0361 0.4583 0.209 Uiso 1 1 calc R U . . .
O1B O 0.0432(3) 0.4818(3) 0.1064(2) 0.0455(15) Uani 1 1 d . . . . .
O2B O 0.0205(3) 0.3754(2) 0.0745(2) 0.0445(15) Uani 1 1 d . . . . .
C1B C 0.0005(5) 0.4427(5) 0.0821(4) 0.043(2) Uani 1 1 d . . . . .
C2B C -0.0799(4) 0.4803(4) 0.0606(3) 0.051(2) Uani 1 1 d . . . . .
H2BA H -0.0964 0.5241 0.0829 0.077 Uiso 1 1 calc R U . . .
H2BB H -0.1197 0.4467 0.0678 0.077 Uiso 1 1 calc R U . . .
H2BC H -0.0760 0.4947 0.0170 0.077 Uiso 1 1 calc R U . . .
O1C O 0.3179(4) 0.0006(3) 0.2796(3) 0.090(2) Uani 1 1 d . . . . .
O2C O 0.2922(6) -0.0285(4) 0.3831(4) 0.080(3) Uani 0.7 1 d . . P B 1
C1C C 0.3070(9) -0.0373(8) 0.3281(8) 0.080(5) Uiso 0.7 1 d D . P B 1
C2C C 0.3177(9) -0.1209(7) 0.3095(6) 0.147(7) Uani 0.7 1 d D . P B 1
H2C1 H 0.3301 -0.1215 0.2658 0.220 Uiso 0.7 1 d R U P B 1
H2C2 H 0.2677 -0.1412 0.3188 0.220 Uiso 0.7 1 d R U P B 1
H2C3 H 0.3617 -0.1506 0.3322 0.220 Uiso 0.7 1 d R U P B 1
C1D C 0.212(3) 0.014(2) 0.3868(18) 0.18(2) Uiso 0.3 1 d . . P C 2
H1D1 H 0.1808 0.0114 0.4251 0.266 Uiso 0.3 1 d R U P C 2
H1D2 H 0.2682 -0.0072 0.3940 0.266 Uiso 0.3 1 d R U P C 2
H1D3 H 0.1896 -0.0131 0.3569 0.266 Uiso 0.3 1 d R U P C 2
O1M O 0.5023(8) 0.0473(7) 0.7436(6) 0.139(6) Uiso 0.6 1 d D . P . .
H1M H 0.5456 0.0277 0.7597 0.209 Uiso 0.6 1 d R U P . .
C1M C 0.4827(9) 0.0167(8) 0.6874(6) 0.087(6) Uiso 0.6 1 d D . P . .
H1M1 H 0.5309 -0.0011 0.6635 0.130 Uiso 0.6 1 d R U P . .
H1M2 H 0.4427 0.0454 0.6605 0.130 Uiso 0.6 1 d R U P . .
H1M3 H 0.4603 -0.0252 0.7075 0.130 Uiso 0.6 1 d R U P . .
O9M O 0.4453(12) -0.0291(10) 0.7004(8) 0.137(7) Uiso 0.4 1 d D . P . .
H9M H 0.4899 -0.0565 0.7029 0.206 Uiso 0.4 1 d R U P . .
C9M C 0.4535(15) 0.0387(11) 0.7319(11) 0.082(9) Uiso 0.4 1 d D . P . .
H9M1 H 0.3995 0.0662 0.7373 0.123 Uiso 0.4 1 d R U P . .
H9M2 H 0.4873 0.0695 0.7076 0.123 Uiso 0.4 1 d R U P . .
H9M3 H 0.4774 0.0246 0.7718 0.123 Uiso 0.4 1 d R U P . .
O2M O 0.7302(4) 0.1346(4) 0.5371(3) 0.094(3) Uiso 0.8 1 d D . P . .
H2M H 0.6838 0.1581 0.5416 0.141 Uiso 0.8 1 calc R U P . .
C2M C 0.7374(8) 0.1019(7) 0.4753(6) 0.180(7) Uiso 0.8 1 d D . P . .
H2M1 H 0.7767 0.1246 0.4494 0.270 Uiso 0.8 1 calc R U P . .
H2M2 H 0.6849 0.1111 0.4560 0.270 Uiso 0.8 1 calc R U P . .
H2M3 H 0.7551 0.0489 0.4810 0.270 Uiso 0.8 1 calc R U P . .
O3M O 0.0814(5) 0.0534(4) 0.3956(3) 0.087(3) Uiso 0.7 1 d D . P . .
H3M H 0.0954 0.0077 0.3997 0.131 Uiso 0.7 1 d R U P . .
C3M C -0.0046(8) 0.0701(7) 0.3908(6) 0.133(6) Uiso 0.7 1 d D . P . .
H3M1 H -0.0251 0.0918 0.4285 0.199 Uiso 0.7 1 d R U P . .
H3M2 H -0.0274 0.0250 0.3870 0.199 Uiso 0.7 1 d R U P . .
H3M3 H -0.0200 0.1050 0.3560 0.199 Uiso 0.7 1 d R U P . .
C4M C 0.575(2) 0.7331(18) 0.2650(10) 0.28(2) Uiso 0.5 1 d D . P . .
H4M1 H 0.5199 0.7465 0.2815 0.417 Uiso 0.5 1 d R U P M .
H4M2 H 0.6128 0.7532 0.2891 0.417 Uiso 0.5 1 d R U P . .
H4M3 H 0.5881 0.6795 0.2668 0.417 Uiso 0.5 1 d R U P . .
O4M O 0.5916(8) 0.7306(7) 0.1998(6) 0.121(5) Uiso 0.5 1 d D . P M .
H4M H 0.6383 0.7399 0.1915 0.182 Uiso 0.5 1 d R U P . .
O5M O 0.4810(9) 0.7733(8) 0.3775(7) 0.158(6) Uiso 0.5 1 d D . P D 1
H5M H 0.4644 0.7958 0.3448 0.238 Uiso 0.5 1 calc R U P D 1
C5M C 0.4981(13) 0.8263(11) 0.4197(9) 0.134(9) Uiso 0.5 1 d D . P D 1
H5M1 H 0.5034 0.8151 0.4637 0.201 Uiso 0.5 1 calc R U P D 1
H5M2 H 0.5087 0.7806 0.3992 0.201 Uiso 0.5 1 calc R U P D 1
H5M3 H 0.4434 0.8507 0.4111 0.201 Uiso 0.5 1 calc R U P D 1
O6M O 0.7564(12) 0.0924(10) 0.2664(9) 0.093(7) Uiso 0.3 1 d D . P E 1
H6M H 0.7773 0.1178 0.2387 0.140 Uiso 0.3 1 d R U P E 1
C6M C 0.763(3) 0.126(2) 0.3260(15) 0.24(3) Uiso 0.3 1 d D . P E 1
H6M1 H 0.7381 0.0967 0.3583 0.365 Uiso 0.3 1 d R U P E 1
H6M2 H 0.7346 0.1765 0.3237 0.365 Uiso 0.3 1 d R U P E 1
H6M3 H 0.8195 0.1261 0.3352 0.365 Uiso 0.3 1 d R U P E 1
O7M O 0.6565(11) 0.7576(9) 0.3408(8) 0.145(7) Uiso 0.4 1 d D . P F 1
H7M H 0.6311 0.7816 0.3681 0.218 Uiso 0.4 1 d R U P F 1
C7M C 0.7255(14) 0.7869(13) 0.3235(12) 0.154(12) Uiso 0.4 1 d D . P F 1
H7M1 H 0.7157 0.8401 0.3265 0.231 Uiso 0.4 1 calc R U P F 1
H7M2 H 0.7405 0.7763 0.2814 0.231 Uiso 0.4 1 calc R U P F 1
H7M3 H 0.7693 0.7650 0.3503 0.231 Uiso 0.4 1 calc R U P F 1
O8M O 0.6918(16) 0.1351(12) 0.3101(10) 0.172(9) Uiso 0.4 1 d D . P E 1
H8M H 0.7169 0.1277 0.2770 0.258 Uiso 0.4 1 d R U P E 1
C8M C 0.6205(17) 0.1079(17) 0.3074(13) 0.171(14) Uiso 0.4 1 d D . P E 1
H8M1 H 0.5700 0.1405 0.2990 0.257 Uiso 0.4 1 d R U P E 1
H8M2 H 0.6181 0.0846 0.3487 0.257 Uiso 0.4 1 d R U P E 1
H8M3 H 0.6287 0.0700 0.2782 0.257 Uiso 0.4 1 d R U P E 1
O1W O 0.3615(4) 0.7194(3) 0.4666(3) 0.123(3) Uani 1 1 d . . . G 1
O2W O 0.1146(6) -0.1008(5) 0.3952(5) 0.146(4) Uiso 0.7 1 d . . P H 1
O3W O 0.0714(18) -0.0209(17) 0.5019(14) 0.168(13) Uiso 0.25 1 d . . P I 1
O4W O 0.3149(14) -0.0577(11) 0.7123(9) 0.124(7) Uiso 0.35 1 d . . P J 1
O5W O 0.457(2) 0.1361(19) 0.5975(17) 0.126(13) Uiso 0.2 1 d . . P K 1
O6W O 0.4099(19) 0.1704(16) 0.5455(15) 0.106(11) Uiso 0.2 1 d . . P K 1
O7W O 0.8843(17) 0.0693(14) 0.4310(13) 0.090(10) Uiso 0.2 1 d . . P L 1
O8W O 0.5942(11) 0.6931(10) 0.2554(8) 0.108(6) Uiso 0.4 1 d . . P M 1


_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 2.034(4) . ?
Co1 O2 2.037(5) . ?
Co1 N16 2.155(6) . ?
Co1 N19 2.197(7) . ?
Co1 O11 2.198(5) . ?
Co1 O14 2.247(5) . ?
Co2 O2 2.039(4) . ?
Co2 O13 2.043(5) . ?
Co2 O1A 2.056(6) . ?
Co2 N11 2.107(7) . ?
Co2 O3 2.166(5) . ?
Co2 N21 2.198(6) . ?
Co3 O14 2.027(5) . ?
Co3 O11 2.113(5) . ?
Co3 N12 2.143(7) . ?
Co3 N13 2.153(7) . ?
Co3 N22 2.241(6) . ?
Co3 N23 2.255(6) . ?
Co4 O1B 2.019(5) . ?
Co4 O1K 2.038(11) . ?
Co4 O12 2.066(5) . ?
Co4 N14 2.083(6) . ?
Co4 O15 2.083(14) . ?
Co4 O1 2.101(4) . ?
Co4 N24 2.283(6) . ?
Co5 O18 2.004(5) . ?
Co5 O1 2.036(4) . ?
Co5 N1K 2.069(8) . ?
Co5 O15 2.089(12) . ?
Co5 O2B 2.090(5) . ?
Co5 N25 2.223(6) . ?
Co5 O16 2.244(5) . ?
Co6 O19 2.057(5) . ?
Co6 O16 2.071(4) . ?
Co6 N17 2.132(7) . ?
Co6 N18 2.138(6) . ?
Co6 N28 2.240(6) . ?
Co6 N27 2.258(7) . ?
Co7 O17 2.026(6) . ?
Co7 O2 2.053(4) . ?
Co7 O1C 2.081(5) . ?
Co7 O2A 2.082(7) . ?
Co7 O19 2.110(5) . ?
Co7 O3 2.229(5) . ?
O1 H1 0.8400 . ?
O2 H2 0.8400 . ?
O3 C1D 1.68(4) . ?
O3 H3A 0.8501 . ?
O3 H3B 0.8499 . ?
O11 N11 1.352(7) . ?
N11 C141 1.312(7) . ?
N21 C151 1.297(7) . ?
N21 C11 1.398(9) . ?
N31 C71 1.333(8) . ?
N31 C61 1.385(7) . ?
C11 C21 1.422(8) . ?
C11 C61 1.435(8) . ?
C21 C31 1.388(9) . ?
C21 H21A 0.9500 . ?
C31 C41 1.394(9) . ?
C31 H31B 0.9500 . ?
C41 C51 1.375(8) . ?
C41 H41A 0.9500 . ?
C51 C61 1.392(9) . ?
C51 H51A 0.9500 . ?
C71 C151 1.416(7) . ?
C71 C81 1.423(9) . ?
C81 C131 1.406(7) . ?
C81 C91 1.407(8) . ?
C91 C101 1.436(8) . ?
C91 H91A 0.9500 . ?
C101 C111 1.370(8) . ?
C101 H10A 0.9500 . ?
C111 C121 1.399(8) . ?
C111 H11A 0.9500 . ?
C121 C131 1.373(8) . ?
C121 H12A 0.9500 . ?
C131 C141 1.459(8) . ?
C141 C151 1.494(9) . ?
O12 N12 1.316(6) . ?
N12 C142 1.332(8) . ?
N22 C152 1.347(9) . ?
N22 C12 1.396(9) . ?
N32 C72 1.322(9) . ?
N32 C62 1.385(10) . ?
C12 C22 1.419(10) . ?
C12 C62 1.454(10) . ?
C22 C32 1.353(10) . ?
C22 H22A 0.9500 . ?
C32 C42 1.395(10) . ?
C32 H32B 0.9500 . ?
C42 C52 1.352(11) . ?
C42 H42A 0.9500 . ?
C52 C62 1.425(11) . ?
C52 H52A 0.9500 . ?
C72 C152 1.433(10) . ?
C72 C82 1.474(11) . ?
C82 C92 1.349(10) . ?
C82 C132 1.392(10) . ?
C92 C102 1.349(10) . ?
C92 H92A 0.9500 . ?
C102 C112 1.451(10) . ?
C102 H10B 0.9500 . ?
C112 C122 1.413(9) . ?
C112 H11B 0.9500 . ?
C122 C132 1.359(10) . ?
C122 H12C 0.9500 . ?
C132 C142 1.453(10) . ?
C142 C152 1.428(10) . ?
O13 N13 1.333(7) . ?
N13 C143 1.309(9) . ?
N23 C153 1.308(9) . ?
N23 C13 1.420(9) . ?
N33 C73 1.298(9) . ?
N33 C63 1.379(9) . ?
C13 C23 1.370(10) . ?
C13 C63 1.422(10) . ?
C23 C33 1.349(9) . ?
C23 H23A 0.9500 . ?
C33 C43 1.381(11) . ?
C33 H33B 0.9500 . ?
C43 C53 1.384(11) . ?
C43 H43A 0.9500 . ?
C53 C63 1.421(10) . ?
C53 H53A 0.9500 . ?
C73 C153 1.451(10) . ?
C73 C83 1.452(11) . ?
C83 C93 1.373(11) . ?
C83 C133 1.440(11) . ?
C93 C103 1.388(11) . ?
C93 H93A 0.9500 . ?
C103 C113 1.388(11) . ?
C103 H10C 0.9500 . ?
C113 C123 1.382(11) . ?
C113 H11C 0.9500 . ?
C123 C133 1.377(10) . ?
C123 H12D 0.9500 . ?
C133 C143 1.445(11) . ?
C143 C153 1.439(10) . ?
O14 N14 1.325(6) . ?
N14 C144 1.326(8) . ?
N24 C154 1.320(8) . ?
N24 C14 1.373(8) . ?
N34 C74 1.295(8) . ?
N34 C64 1.388(9) . ?
C14 C24 1.409(10) . ?
C14 C64 1.420(9) . ?
C24 C34 1.379(9) . ?
C24 H24A 0.9500 . ?
C34 C44 1.437(9) . ?
C34 H34B 0.9500 . ?
C44 C54 1.381(10) . ?
C44 H44A 0.9500 . ?
C54 C64 1.449(9) . ?
C54 H54A 0.9500 . ?
C74 C154 1.424(9) . ?
C74 C84 1.475(10) . ?
C84 C94 1.382(9) . ?
C84 C134 1.416(9) . ?
C94 C104 1.395(10) . ?
C94 H94A 0.9500 . ?
C104 C114 1.375(10) . ?
C104 H10D 0.9500 . ?
C114 C124 1.411(9) . ?
C114 H11D 0.9500 . ?
C124 C134 1.372(9) . ?
C124 H12E 0.9500 . ?
C134 C144 1.455(9) . ?
C144 C154 1.437(9) . ?
N15 O15 1.236(16) . ?
N15 C145 1.531(14) . ?
N25 C155 1.298(7) . ?
N25 C15 1.399(9) . ?
N35 C75 1.333(8) . ?
N35 C65 1.386(7) . ?
C15 C25 1.422(8) . ?
C15 C65 1.436(8) . ?
C25 C35 1.388(9) . ?
C25 H25A 0.9500 . ?
C35 C45 1.394(9) . ?
C35 H35B 0.9500 . ?
C45 C55 1.375(8) . ?
C45 H45A 0.9500 . ?
C55 C65 1.392(9) . ?
C55 H55A 0.9500 . ?
C75 C155 1.416(7) . ?
C75 C85 1.423(9) . ?
C85 C135 1.407(7) . ?
C85 C95 1.407(8) . ?
C95 C105 1.436(8) . ?
C95 H95A 0.9500 . ?
C105 C115 1.370(8) . ?
C105 H10E 0.9500 . ?
C115 C125 1.400(8) . ?
C115 H11E 0.9500 . ?
C125 C135 1.373(8) . ?
C125 H12F 0.9500 . ?
C135 C145 1.459(8) . ?
C145 C155 1.494(9) . ?
O1K N1K 1.393(16) . ?
N1K C14K 1.161(11) . ?
N025 C15K 1.297(7) . ?
N025 C1K 1.399(9) . ?
N035 C7K 1.334(8) . ?
N035 C6K 1.385(7) . ?
C1K C2K 1.423(8) . ?
C1K C6K 1.436(8) . ?
C2K C3K 1.388(9) . ?
C2K H2KA 0.9500 . ?
C3K C4K 1.394(9) . ?
C3K H3KA 0.9500 . ?
C4K C5K 1.374(8) . ?
C4K H4KA 0.9500 . ?
C5K C6K 1.392(9) . ?
C5K H5KA 0.9500 . ?
C7K C15K 1.416(7) . ?
C7K C8K 1.423(9) . ?
C8K C9K 1.407(8) . ?
C8K C13K 1.407(7) . ?
C9K C10K 1.436(8) . ?
C9K H9KA 0.9500 . ?
C10K C11K 1.370(8) . ?
C10K H10F 0.9500 . ?
C11K C12K 1.399(8) . ?
C11K H11F 0.9500 . ?
C12K C13K 1.373(8) . ?
C12K H12G 0.9500 . ?
C13K C14K 1.459(8) . ?
C14K C15K 1.494(9) . ?
O16 N16 1.382(7) . ?
N16 C146 1.315(8) . ?
N26 C156 1.310(8) . ?
N26 C16 1.406(9) . ?
N36 C76 1.317(8) . ?
N36 C66 1.377(9) . ?
C16 C26 1.404(10) . ?
C16 C66 1.408(10) . ?
C26 C36 1.364(10) . ?
C26 H26B 0.9500 . ?
C36 C46 1.394(10) . ?
C36 H36B 0.9500 . ?
C46 C56 1.365(10) . ?
C46 H46A 0.9500 . ?
C56 C66 1.413(10) . ?
C56 H56A 0.9500 . ?
C76 C156 1.406(9) . ?
C76 C86 1.448(9) . ?
C86 C96 1.385(9) . ?
C86 C136 1.433(9) . ?
C96 C106 1.423(9) . ?
C96 H96A 0.9500 . ?
C106 C116 1.352(9) . ?
C106 H10G 0.9500 . ?
C116 C126 1.387(8) . ?
C116 H11G 0.9500 . ?
C126 C136 1.396(9) . ?
C126 H12H 0.9500 . ?
C136 C146 1.481(9) . ?
C146 C156 1.482(10) . ?
O17 N17 1.316(8) . ?
N17 C147 1.306(9) . ?
N27 C157 1.327(9) . ?
N27 C17 1.399(9) . ?
N37 C77 1.296(10) . ?
N37 C67 1.392(10) . ?
C17 C27 1.368(10) . ?
C17 C67 1.472(10) . ?
C27 C37 1.327(9) . ?
C27 H27A 0.9500 . ?
C37 C47 1.378(10) . ?
C37 H37B 0.9500 . ?
C47 C57 1.344(11) . ?
C47 H47A 0.9500 . ?
C57 C67 1.439(11) . ?
C57 H57A 0.9500 . ?
C77 C157 1.441(10) . ?
C77 C87 1.479(12) . ?
C87 C97 1.365(11) . ?
C87 C137 1.396(10) . ?
C97 C107 1.414(13) . ?
C97 H97A 0.9500 . ?
C107 C117 1.355(12) . ?
C107 H10H 0.9500 . ?
C117 C127 1.418(11) . ?
C117 H11H 0.9500 . ?
C127 C137 1.393(11) . ?
C127 H12I 0.9500 . ?
C137 C147 1.469(10) . ?
C147 C157 1.453(10) . ?
O18 N18 1.315(6) . ?
N18 C148 1.324(8) . ?
N28 C158 1.277(9) . ?
N28 C18 1.361(8) . ?
N38 C78 1.347(9) . ?
N38 C68 1.393(9) . ?
C18 C28 1.379(9) . ?
C18 C68 1.406(10) . ?
C28 C38 1.378(9) . ?
C28 H28A 0.9500 . ?
C38 C48 1.440(10) . ?
C38 H38B 0.9500 . ?
C48 C58 1.344(10) . ?
C48 H48A 0.9500 . ?
C58 C68 1.434(10) . ?
C58 H58A 0.9500 . ?
C78 C158 1.413(10) . ?
C78 C88 1.486(12) . ?
C88 C98 1.397(11) . ?
C88 C138 1.449(10) . ?
C98 C108 1.362(10) . ?
C98 H98A 0.9500 . ?
C108 C118 1.400(10) . ?
C108 H10I 0.9500 . ?
C118 C128 1.363(11) . ?
C118 H11I 0.9500 . ?
C128 C138 1.378(10) . ?
C128 H12J 0.9500 . ?
C138 C148 1.431(10) . ?
C148 C158 1.475(10) . ?
O19 N19 1.374(7) . ?
N19 C159 1.301(9) . ?
N29 C99 1.304(8) . ?
N29 C19 1.397(9) . ?
N39 C79 1.323(10) . ?
N39 C69 1.395(10) . ?
C19 C29 1.364(9) . ?
C19 C69 1.463(11) . ?
C29 C39 1.393(9) . ?
C29 H29B 0.9500 . ?
C39 C49 1.394(9) . ?
C39 H39B 0.9500 . ?
C49 C59 1.356(10) . ?
C49 H49A 0.9500 . ?
C59 C69 1.375(10) . ?
C59 H59A 0.9500 . ?
C79 C99 1.435(10) . ?
C79 C89 1.448(11) . ?
C89 C149 1.425(12) . ?
C89 C109 1.429(11) . ?
C99 C159 1.512(10) . ?
C109 C119 1.405(13) . ?
C109 H10J 0.9500 . ?
C119 C129 1.396(13) . ?
C119 H11J 0.9500 . ?
C129 C139 1.364(11) . ?
C129 H12K 0.9500 . ?
C139 C149 1.372(11) . ?
C139 H13B 0.9500 . ?
C149 C159 1.499(11) . ?
O1A C1A 1.259(11) . ?
O2A C1A 1.220(11) . ?
C1A C2A 1.538(13) . ?
C2A H2AA 0.9800 . ?
C2A H2AB 0.9800 . ?
C2A H2AC 0.9800 . ?
O1B C1B 1.254(8) . ?
O2B C1B 1.262(8) . ?
C1B C2B 1.499(9) . ?
C2B H2BA 0.9800 . ?
C2B H2BB 0.9800 . ?
C2B H2BC 0.9800 . ?
O1C C1C 1.257(16) . ?
O2C C1C 1.247(15) . ?
C1C C2C 1.613(13) . ?
C2C H2C1 0.9800 . ?
C2C H2C2 0.9800 . ?
C2C H2C3 0.9800 . ?
C1D H3B 1.0598 . ?
C1D H1D1 0.9800 . ?
C1D H1D2 0.9800 . ?
C1D H1D3 0.9800 . ?
O1M C1M 1.471(13) . ?
O1M H1M 0.8400 . ?
O1M H9M2 0.8918 . ?
O1M H9M3 0.8556 . ?
C1M H1M1 0.9800 . ?
C1M H1M2 0.9800 . ?
C1M H1M3 0.9800 . ?
C1M H9M2 1.1176 . ?
O9M C9M 1.507(15) . ?
O9M H1M3 0.3210 . ?
O9M H9M 0.8400 . ?
C9M H9M1 0.9800 . ?
C9M H9M2 0.9800 . ?
C9M H9M3 0.9800 . ?
O2M C2M 1.528(11) . ?
O2M H2M 0.8400 . ?
C2M H2M1 0.9800 . ?
C2M H2M2 0.9800 . ?
C2M H2M3 0.9800 . ?
O3M C3M 1.438(11) . ?
O3M H3M 0.8400 . ?
C3M H3M1 0.9800 . ?
C3M H3M2 0.9800 . ?
C3M H3M3 0.9800 . ?
C4M O4M 1.459(17) . ?
C4M H4M1 0.9800 . ?
C4M H4M2 0.9800 . ?
C4M H4M3 0.9800 . ?
O4M H4M 0.8400 . ?
O5M C5M 1.469(14) . ?
O5M H5M 0.8400 . ?
C5M H5M1 0.9800 . ?
C5M H5M2 0.9800 . ?
C5M H5M3 0.9800 . ?
O6M H6M 0.8400 . ?
O6M H8M 0.8982 . ?
C6M H6M1 0.9800 . ?
C6M H6M2 0.9800 . ?
C6M H6M3 0.9800 . ?
O7M C7M 1.382(15) . ?
O7M H7M 0.8400 . ?
C7M H7M1 0.9800 . ?
C7M H7M2 0.9800 . ?
C7M H7M3 0.9800 . ?
O8M C8M 1.373(16) . ?
O8M H8M 0.8400 . ?
C8M H8M1 0.9800 . ?
C8M H8M2 0.9800 . ?
C8M H8M3 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 O2 179.21(18) . . ?
O1 Co1 N16 87.8(2) . . ?
O2 Co1 N16 92.7(2) . . ?
O1 Co1 N19 92.1(2) . . ?
O2 Co1 N19 87.3(2) . . ?
N16 Co1 N19 93.5(2) . . ?
O1 Co1 O11 91.06(19) . . ?
O2 Co1 O11 88.40(19) . . ?
N16 Co1 O11 174.9(2) . . ?
N19 Co1 O11 91.5(2) . . ?
O1 Co1 O14 89.83(17) . . ?
O2 Co1 O14 90.66(19) . . ?
N16 Co1 O14 94.4(2) . . ?
N19 Co1 O14 171.9(2) . . ?
O11 Co1 O14 80.60(17) . . ?
O2 Co2 O13 99.2(2) . . ?
O2 Co2 O1A 101.0(2) . . ?
O13 Co2 O1A 85.2(2) . . ?
O2 Co2 N11 85.1(2) . . ?
O13 Co2 N11 93.6(2) . . ?
O1A Co2 N11 173.9(3) . . ?
O2 Co2 O3 81.53(18) . . ?
O13 Co2 O3 173.3(2) . . ?
O1A Co2 O3 88.1(2) . . ?
N11 Co2 O3 93.0(2) . . ?
O2 Co2 N21 158.5(2) . . ?
O13 Co2 N21 95.5(2) . . ?
O1A Co2 N21 95.7(3) . . ?
N11 Co2 N21 78.4(3) . . ?
O3 Co2 N21 85.7(2) . . ?
O14 Co3 O11 87.96(18) . . ?
O14 Co3 N12 100.8(2) . . ?
O11 Co3 N12 86.4(2) . . ?
O14 Co3 N13 87.5(2) . . ?
O11 Co3 N13 102.1(3) . . ?
N12 Co3 N13 168.3(3) . . ?
O14 Co3 N22 176.8(2) . . ?
O11 Co3 N22 90.2(2) . . ?
N12 Co3 N22 81.6(3) . . ?
N13 Co3 N22 90.3(3) . . ?
O14 Co3 N23 89.7(2) . . ?
O11 Co3 N23 176.7(2) . . ?
N12 Co3 N23 91.8(3) . . ?
N13 Co3 N23 80.1(3) . . ?
N22 Co3 N23 92.2(2) . . ?
O1B Co4 O1K 97.6(3) . . ?
O1B Co4 O12 85.4(2) . . ?
O1K Co4 O12 176.9(3) . . ?
O1B Co4 N14 172.4(2) . . ?
O1K Co4 N14 84.4(3) . . ?
O12 Co4 N14 92.7(2) . . ?
O1B Co4 O15 84.2(4) . . ?
O12 Co4 O15 162.5(4) . . ?
N14 Co4 O15 99.4(4) . . ?
O1B Co4 O1 98.12(19) . . ?
O1K Co4 O1 86.4(3) . . ?
O12 Co4 O1 92.60(17) . . ?
N14 Co4 O1 89.3(2) . . ?
O15 Co4 O1 75.0(3) . . ?
O1B Co4 N24 94.1(2) . . ?
O1K Co4 N24 74.2(3) . . ?
O12 Co4 N24 106.33(18) . . ?
N14 Co4 N24 79.3(3) . . ?
O15 Co4 N24 88.5(4) . . ?
O1 Co4 N24 158.25(18) . . ?
O18 Co5 O1 110.67(19) . . ?
O18 Co5 N1K 145.6(3) . . ?
O1 Co5 N1K 102.0(3) . . ?
O18 Co5 O15 170.5(4) . . ?
O1 Co5 O15 76.3(4) . . ?
O18 Co5 O2B 89.7(2) . . ?
O1 Co5 O2B 91.86(18) . . ?
N1K Co5 O2B 99.8(3) . . ?
O15 Co5 O2B 96.7(3) . . ?
O18 Co5 N25 94.3(3) . . ?
O1 Co5 N25 155.0(2) . . ?
O15 Co5 N25 78.9(5) . . ?
O2B Co5 N25 88.5(3) . . ?
O18 Co5 O16 88.59(19) . . ?
O1 Co5 O16 86.18(18) . . ?
N1K Co5 O16 83.2(3) . . ?
O15 Co5 O16 85.3(3) . . ?
O2B Co5 O16 176.73(18) . . ?
N25 Co5 O16 94.4(3) . . ?
O19 Co6 O16 96.11(19) . . ?
O19 Co6 N17 84.9(3) . . ?
O16 Co6 N17 94.7(2) . . ?
O19 Co6 N18 93.9(2) . . ?
O16 Co6 N18 84.2(2) . . ?
N17 Co6 N18 178.3(3) . . ?
O19 Co6 N28 89.6(2) . . ?
O16 Co6 N28 164.1(2) . . ?
N17 Co6 N28 100.6(3) . . ?
N18 Co6 N28 80.7(3) . . ?
O19 Co6 N27 162.3(2) . . ?
O16 Co6 N27 95.5(2) . . ?
N17 Co6 N27 80.9(3) . . ?
N18 Co6 N27 100.5(3) . . ?
N28 Co6 N27 82.8(2) . . ?
O17 Co7 O2 104.2(2) . . ?
O17 Co7 O1C 90.4(2) . . ?
O2 Co7 O1C 165.3(2) . . ?
O17 Co7 O2A 83.3(3) . . ?
O2 Co7 O2A 92.8(2) . . ?
O1C Co7 O2A 89.2(3) . . ?
O17 Co7 O19 92.0(2) . . ?
O2 Co7 O19 89.76(19) . . ?
O1C Co7 O19 89.4(2) . . ?
O2A Co7 O19 175.1(2) . . ?
O17 Co7 O3 172.9(2) . . ?
O2 Co7 O3 79.71(18) . . ?
O1C Co7 O3 85.7(2) . . ?
O2A Co7 O3 90.7(2) . . ?
O19 Co7 O3 93.9(2) . . ?
Co1 O1 Co5 117.55(19) . . ?
Co1 O1 Co4 117.4(2) . . ?
Co5 O1 Co4 98.31(18) . . ?
Co1 O1 H1 107.6 . . ?
Co5 O1 H1 107.6 . . ?
Co4 O1 H1 107.6 . . ?
Co1 O2 Co2 122.4(2) . . ?
Co1 O2 Co7 114.0(2) . . ?
Co2 O2 Co7 98.28(19) . . ?
Co1 O2 H2 107.0 . . ?
Co2 O2 H2 107.0 . . ?
Co7 O2 H2 107.0 . . ?
C1D O3 Co2 141.5(15) . . ?
C1D O3 Co7 117.4(15) . . ?
Co2 O3 Co7 89.5(2) . . ?
C1D O3 H3A 81.9 . . ?
Co2 O3 H3A 113.6 . . ?
Co7 O3 H3A 113.6 . . ?
Co2 O3 H3B 113.8 . . ?
Co7 O3 H3B 113.8 . . ?
H3A O3 H3B 111.0 . . ?
N11 O11 Co3 105.0(4) . . ?
N11 O11 Co1 112.1(4) . . ?
Co3 O11 Co1 95.2(2) . . ?
C141 N11 O11 116.6(7) . . ?
C141 N11 Co2 116.8(6) . . ?
O11 N11 Co2 126.6(5) . . ?
C151 N21 C11 107.6(6) . . ?
C151 N21 Co2 107.8(5) . . ?
C11 N21 Co2 144.7(5) . . ?
C71 N31 C61 112.3(6) . . ?
N21 C11 C21 116.2(6) . . ?
N21 C11 C61 124.6(6) . . ?
C21 C11 C61 119.2(7) . . ?
C31 C21 C11 120.3(7) . . ?
C31 C21 H21A 119.9 . . ?
C11 C21 H21A 119.9 . . ?
C21 C31 C41 120.0(8) . . ?
C21 C31 H31B 120.0 . . ?
C41 C31 H31B 120.0 . . ?
C51 C41 C31 119.5(9) . . ?
C51 C41 H41A 120.2 . . ?
C31 C41 H41A 120.2 . . ?
C41 C51 C61 122.8(8) . . ?
C41 C51 H51A 118.6 . . ?
C61 C51 H51A 118.6 . . ?
N31 C61 C51 119.8(7) . . ?
N31 C61 C11 122.6(7) . . ?
C51 C61 C11 117.5(7) . . ?
N31 C71 C151 121.8(7) . . ?
N31 C71 C81 127.4(6) . . ?
C151 C71 C81 110.8(7) . . ?
C131 C81 C91 118.2(7) . . ?
C131 C81 C71 109.6(6) . . ?
C91 C81 C71 132.2(6) . . ?
C81 C91 C101 118.6(7) . . ?
C81 C91 H91A 120.7 . . ?
C101 C91 H91A 120.7 . . ?
C111 C101 C91 120.5(8) . . ?
C111 C101 H10A 119.7 . . ?
C91 C101 H10A 119.7 . . ?
C101 C111 C121 121.2(7) . . ?
C101 C111 H11A 119.4 . . ?
C121 C111 H11A 119.4 . . ?
C131 C121 C111 118.2(6) . . ?
C131 C121 H12A 120.9 . . ?
C111 C121 H12A 120.9 . . ?
C121 C131 C81 123.2(7) . . ?
C121 C131 C141 130.2(6) . . ?
C81 C131 C141 106.6(7) . . ?
N11 C141 C131 139.2(7) . . ?
N11 C141 C151 112.1(7) . . ?
C131 C141 C151 108.6(5) . . ?
N21 C151 C71 131.2(8) . . ?
N21 C151 C141 124.3(6) . . ?
C71 C151 C141 104.5(7) . . ?
N12 O12 Co4 121.2(4) . . ?
O12 N12 C142 116.7(7) . . ?
O12 N12 Co3 133.2(5) . . ?
C142 N12 Co3 110.1(6) . . ?
C152 N22 C12 115.3(8) . . ?
C152 N22 Co3 103.3(6) . . ?
C12 N22 Co3 140.8(6) . . ?
C72 N32 C62 114.2(8) . . ?
N22 C12 C22 122.7(9) . . ?
N22 C12 C62 118.7(9) . . ?
C22 C12 C62 118.5(9) . . ?
C32 C22 C12 121.4(8) . . ?
C32 C22 H22A 119.3 . . ?
C12 C22 H22A 119.3 . . ?
C22 C32 C42 120.2(9) . . ?
C22 C32 H32B 119.9 . . ?
C42 C32 H32B 119.9 . . ?
C52 C42 C32 121.4(10) . . ?
C52 C42 H42A 119.3 . . ?
C32 C42 H42A 119.3 . . ?
C42 C52 C62 121.4(10) . . ?
C42 C52 H52A 119.3 . . ?
C62 C52 H52A 119.3 . . ?
N32 C62 C52 118.4(9) . . ?
N32 C62 C12 124.5(9) . . ?
C52 C62 C12 117.0(9) . . ?
N32 C72 C152 123.0(9) . . ?
N32 C72 C82 130.2(9) . . ?
C152 C72 C82 106.8(8) . . ?
C92 C82 C132 126.1(10) . . ?
C92 C82 C72 127.1(10) . . ?
C132 C82 C72 106.8(9) . . ?
C82 C92 C102 117.6(10) . . ?
C82 C92 H92A 121.2 . . ?
C102 C92 H92A 121.2 . . ?
C92 C102 C112 119.9(9) . . ?
C92 C102 H10B 120.0 . . ?
C112 C102 H10B 120.0 . . ?
C122 C112 C102 119.3(9) . . ?
C122 C112 H11B 120.3 . . ?
C102 C112 H11B 120.3 . . ?
C132 C122 C112 119.5(9) . . ?
C132 C122 H12C 120.2 . . ?
C112 C122 H12C 120.2 . . ?
C122 C132 C82 117.5(9) . . ?
C122 C132 C142 131.3(9) . . ?
C82 C132 C142 111.1(9) . . ?
N12 C142 C152 119.2(9) . . ?
N12 C142 C132 135.1(9) . . ?
C152 C142 C132 105.3(8) . . ?
N22 C152 C142 125.7(9) . . ?
N22 C152 C72 124.2(9) . . ?
C142 C152 C72 109.9(9) . . ?
N13 O13 Co2 120.4(5) . . ?
C143 N13 O13 115.3(7) . . ?
C143 N13 Co3 110.6(6) . . ?
O13 N13 Co3 133.6(6) . . ?
C153 N23 C13 115.6(8) . . ?
C153 N23 Co3 103.6(6) . . ?
C13 N23 Co3 140.8(6) . . ?
C73 N33 C63 114.9(8) . . ?
C23 C13 N23 121.3(9) . . ?
C23 C13 C63 120.6(9) . . ?
N23 C13 C63 118.2(9) . . ?
C33 C23 C13 122.9(9) . . ?
C33 C23 H23A 118.6 . . ?
C13 C23 H23A 118.6 . . ?
C23 C33 C43 118.3(9) . . ?
C23 C33 H33B 120.9 . . ?
C43 C33 H33B 120.9 . . ?
C33 C43 C53 121.6(9) . . ?
C33 C43 H43A 119.2 . . ?
C53 C43 H43A 119.2 . . ?
C43 C53 C63 120.3(10) . . ?
C43 C53 H53A 119.9 . . ?
C63 C53 H53A 119.9 . . ?
N33 C63 C53 119.1(10) . . ?
N33 C63 C13 124.7(9) . . ?
C53 C63 C13 116.2(9) . . ?
N33 C73 C153 122.4(9) . . ?
N33 C73 C83 132.0(9) . . ?
C153 C73 C83 105.6(9) . . ?
C93 C83 C133 121.3(10) . . ?
C93 C83 C73 129.2(10) . . ?
C133 C83 C73 109.5(9) . . ?
C83 C93 C103 118.2(10) . . ?
C83 C93 H93A 120.9 . . ?
C103 C93 H93A 120.9 . . ?
C93 C103 C113 118.7(10) . . ?
C93 C103 H10C 120.6 . . ?
C113 C103 H10C 120.6 . . ?
C123 C113 C103 125.5(10) . . ?
C123 C113 H11C 117.2 . . ?
C103 C113 H11C 117.2 . . ?
C133 C123 C113 115.2(10) . . ?
C133 C123 H12D 122.4 . . ?
C113 C123 H12D 122.4 . . ?
C123 C133 C83 120.9(10) . . ?
C123 C133 C143 131.3(10) . . ?
C83 C133 C143 107.7(9) . . ?
N13 C143 C153 118.5(9) . . ?
N13 C143 C133 134.2(9) . . ?
C153 C143 C133 107.3(9) . . ?
N23 C153 C143 126.2(9) . . ?
N23 C153 C73 124.0(9) . . ?
C143 C153 C73 109.8(9) . . ?
N14 O14 Co3 107.8(4) . . ?
N14 O14 Co1 113.3(4) . . ?
Co3 O14 Co1 96.22(19) . . ?
O14 N14 C144 121.0(6) . . ?
O14 N14 Co4 124.5(5) . . ?
C144 N14 Co4 114.0(5) . . ?
C154 N24 C14 114.3(7) . . ?
C154 N24 Co4 103.9(5) . . ?
C14 N24 Co4 138.6(6) . . ?
C74 N34 C64 112.5(7) . . ?
N24 C14 C24 121.9(8) . . ?
N24 C14 C64 120.0(8) . . ?
C24 C14 C64 117.9(8) . . ?
C34 C24 C14 122.4(8) . . ?
C34 C24 H24A 118.8 . . ?
C14 C24 H24A 118.8 . . ?
C24 C34 C44 119.5(8) . . ?
C24 C34 H34B 120.3 . . ?
C44 C34 H34B 120.3 . . ?
C54 C44 C34 120.5(8) . . ?
C54 C44 H44A 119.8 . . ?
C34 C44 H44A 119.8 . . ?
C44 C54 C64 119.1(8) . . ?
C44 C54 H54A 120.5 . . ?
C64 C54 H54A 120.5 . . ?
N34 C64 C14 124.5(8) . . ?
N34 C64 C54 114.9(9) . . ?
C14 C64 C54 120.6(8) . . ?
N34 C74 C154 124.2(8) . . ?
N34 C74 C84 131.8(8) . . ?
C154 C74 C84 104.0(7) . . ?
C94 C84 C134 121.4(8) . . ?
C94 C84 C74 127.8(8) . . ?
C134 C84 C74 110.8(7) . . ?
C84 C94 C104 113.9(9) . . ?
C84 C94 H94A 123.1 . . ?
C104 C94 H94A 123.1 . . ?
C114 C104 C94 128.0(9) . . ?
C114 C104 H10D 116.0 . . ?
C94 C104 H10D 116.0 . . ?
C104 C114 C124 115.7(8) . . ?
C104 C114 H11D 122.1 . . ?
C124 C114 H11D 122.1 . . ?
C134 C124 C114 119.6(8) . . ?
C134 C124 H12E 120.2 . . ?
C114 C124 H12E 120.2 . . ?
C124 C134 C84 121.4(8) . . ?
C124 C134 C144 131.9(8) . . ?
C84 C134 C144 106.7(8) . . ?
N14 C144 C154 117.0(8) . . ?
N14 C144 C134 135.9(7) . . ?
C154 C144 C134 107.0(7) . . ?
N24 C154 C74 124.3(7) . . ?
N24 C154 C144 124.5(8) . . ?
C74 C154 C144 111.0(8) . . ?
O15 N15 C145 99.3(12) . . ?
N15 O15 Co4 110.0(11) . . ?
N15 O15 Co5 152.2(12) . . ?
Co4 O15 Co5 97.2(5) . . ?
C155 N25 C15 107.3(6) . . ?
C155 N25 Co5 124.1(6) . . ?
C15 N25 Co5 128.5(5) . . ?
C75 N35 C65 112.1(6) . . ?
N25 C15 C25 116.3(7) . . ?
N25 C15 C65 124.6(6) . . ?
C25 C15 C65 119.0(7) . . ?
C35 C25 C15 120.3(7) . . ?
C35 C25 H25A 119.8 . . ?
C15 C25 H25A 119.8 . . ?
C25 C35 C45 120.1(8) . . ?
C25 C35 H35B 119.9 . . ?
C45 C35 H35B 119.9 . . ?
C55 C45 C35 119.6(9) . . ?
C55 C45 H45A 120.2 . . ?
C35 C45 H45A 120.2 . . ?
C45 C55 C65 122.9(8) . . ?
C45 C55 H55A 118.5 . . ?
C65 C55 H55A 118.5 . . ?
N35 C65 C55 119.8(7) . . ?
N35 C65 C15 122.6(7) . . ?
C55 C65 C15 117.6(7) . . ?
N35 C75 C155 121.7(7) . . ?
N35 C75 C85 127.4(6) . . ?
C155 C75 C85 110.8(7) . . ?
C135 C85 C95 118.1(7) . . ?
C135 C85 C75 109.6(6) . . ?
C95 C85 C75 132.2(6) . . ?
C85 C95 C105 118.5(7) . . ?
C85 C95 H95A 120.7 . . ?
C105 C95 H95A 120.7 . . ?
C115 C105 C95 120.5(8) . . ?
C115 C105 H10E 119.8 . . ?
C95 C105 H10E 119.8 . . ?
C105 C115 C125 121.2(7) . . ?
C105 C115 H11E 119.4 . . ?
C125 C115 H11E 119.4 . . ?
C135 C125 C115 118.2(6) . . ?
C135 C125 H12F 120.9 . . ?
C115 C125 H12F 120.9 . . ?
C125 C135 C85 123.2(7) . . ?
C125 C135 C145 130.3(6) . . ?
C85 C135 C145 106.5(7) . . ?
C135 C145 C155 108.6(5) . . ?
C135 C145 N15 117.8(8) . . ?
C155 C145 N15 133.6(8) . . ?
N25 C155 C75 131.1(8) . . ?
N25 C155 C145 124.5(6) . . ?
C75 C155 C145 104.4(7) . . ?
N1K O1K Co4 119.6(9) . . ?
C14K N1K O1K 133.6(10) . . ?
C14K N1K Co5 124.9(9) . . ?
O1K N1K Co5 101.1(8) . . ?
C15K N025 C1K 107.5(6) . . ?
C7K N035 C6K 112.3(6) . . ?
N025 C1K C2K 116.2(6) . . ?
N025 C1K C6K 124.6(6) . . ?
C2K C1K C6K 119.1(7) . . ?
C3K C2K C1K 120.3(7) . . ?
C3K C2K H2KA 119.9 . . ?
C1K C2K H2KA 119.9 . . ?
C2K C3K C4K 120.1(8) . . ?
C2K C3K H3KA 119.9 . . ?
C4K C3K H3KA 119.9 . . ?
C5K C4K C3K 119.7(9) . . ?
C5K C4K H4KA 120.2 . . ?
C3K C4K H4KA 120.2 . . ?
C4K C5K C6K 122.9(8) . . ?
C4K C5K H5KA 118.6 . . ?
C6K C5K H5KA 118.6 . . ?
N035 C6K C5K 119.8(7) . . ?
N035 C6K C1K 122.7(7) . . ?
C5K C6K C1K 117.5(7) . . ?
N035 C7K C15K 121.7(7) . . ?
N035 C7K C8K 127.4(6) . . ?
C15K C7K C8K 110.8(7) . . ?
C9K C8K C13K 118.1(7) . . ?
C9K C8K C7K 132.2(6) . . ?
C13K C8K C7K 109.6(6) . . ?
C8K C9K C10K 118.6(7) . . ?
C8K C9K H9KA 120.7 . . ?
C10K C9K H9KA 120.7 . . ?
C11K C10K C9K 120.5(8) . . ?
C11K C10K H10F 119.7 . . ?
C9K C10K H10F 119.7 . . ?
C10K C11K C12K 121.1(7) . . ?
C10K C11K H11F 119.4 . . ?
C12K C11K H11F 119.4 . . ?
C13K C12K C11K 118.2(6) . . ?
C13K C12K H12G 120.9 . . ?
C11K C12K H12G 120.9 . . ?
C12K C13K C8K 123.3(7) . . ?
C12K C13K C14K 130.1(6) . . ?
C8K C13K C14K 106.5(7) . . ?
N1K C14K C13K 128.7(9) . . ?
N1K C14K C15K 122.6(9) . . ?
C13K C14K C15K 108.6(5) . . ?
N025 C15K C7K 131.3(8) . . ?
N025 C15K C14K 124.2(6) . . ?
C7K C15K C14K 104.4(7) . . ?
N16 O16 Co6 108.7(4) . . ?
N16 O16 Co5 116.1(4) . . ?
Co6 O16 Co5 117.1(2) . . ?
C146 N16 O16 113.6(6) . . ?
C146 N16 Co1 137.9(6) . . ?
O16 N16 Co1 108.1(5) . . ?
C156 N26 C16 115.9(8) . . ?
C76 N36 C66 114.4(7) . . ?
C26 C16 N26 117.9(9) . . ?
C26 C16 C66 122.7(9) . . ?
N26 C16 C66 119.1(9) . . ?
C36 C26 C16 117.8(9) . . ?
C36 C26 H26B 121.1 . . ?
C16 C26 H26B 121.1 . . ?
C26 C36 C46 120.3(9) . . ?
C26 C36 H36B 119.9 . . ?
C46 C36 H36B 119.9 . . ?
C56 C46 C36 122.8(9) . . ?
C56 C46 H46A 118.6 . . ?
C36 C46 H46A 118.6 . . ?
C46 C56 C66 118.8(9) . . ?
C46 C56 H56A 120.6 . . ?
C66 C56 H56A 120.6 . . ?
N36 C66 C16 123.5(8) . . ?
N36 C66 C56 119.0(9) . . ?
C16 C66 C56 117.5(9) . . ?
N36 C76 C156 123.5(8) . . ?
N36 C76 C86 127.1(8) . . ?
C156 C76 C86 109.1(8) . . ?
C96 C86 C136 119.9(8) . . ?
C96 C86 C76 131.7(9) . . ?
C136 C86 C76 108.4(8) . . ?
C86 C96 C106 119.5(8) . . ?
C86 C96 H96A 120.2 . . ?
C106 C96 H96A 120.2 . . ?
C116 C106 C96 119.8(8) . . ?
C116 C106 H10G 120.1 . . ?
C96 C106 H10G 120.1 . . ?
C106 C116 C126 122.2(8) . . ?
C106 C116 H11G 118.9 . . ?
C126 C116 H11G 118.9 . . ?
C116 C126 C136 119.8(8) . . ?
C116 C126 H12H 120.1 . . ?
C136 C126 H12H 120.1 . . ?
C126 C136 C86 118.9(7) . . ?
C126 C136 C146 133.1(8) . . ?
C86 C136 C146 107.9(8) . . ?
N16 C146 C136 130.4(8) . . ?
N16 C146 C156 123.8(8) . . ?
C136 C146 C156 105.7(8) . . ?
N26 C156 C76 123.4(8) . . ?
N26 C156 C146 127.8(8) . . ?
C76 C156 C146 108.7(8) . . ?
N17 O17 Co7 115.1(5) . . ?
C147 N17 O17 118.8(8) . . ?
C147 N17 Co6 111.7(6) . . ?
O17 N17 Co6 128.6(5) . . ?
C157 N27 C17 116.4(8) . . ?
C157 N27 Co6 102.7(6) . . ?
C17 N27 Co6 140.8(6) . . ?
C77 N37 C67 114.8(8) . . ?
C27 C17 N27 122.5(8) . . ?
C27 C17 C67 120.2(9) . . ?
N27 C17 C67 117.4(9) . . ?
C37 C27 C17 119.5(9) . . ?
C37 C27 H27A 120.3 . . ?
C17 C27 H27A 120.3 . . ?
C27 C37 C47 124.2(10) . . ?
C27 C37 H37B 117.9 . . ?
C47 C37 H37B 117.9 . . ?
C57 C47 C37 119.3(11) . . ?
C57 C47 H47A 120.3 . . ?
C37 C47 H47A 120.3 . . ?
C47 C57 C67 121.1(10) . . ?
C47 C57 H57A 119.5 . . ?
C67 C57 H57A 119.5 . . ?
N37 C67 C57 120.3(10) . . ?
N37 C67 C17 124.0(9) . . ?
C57 C67 C17 115.6(10) . . ?
N37 C77 C157 123.1(10) . . ?
N37 C77 C87 130.2(10) . . ?
C157 C77 C87 106.6(9) . . ?
C97 C87 C137 122.1(10) . . ?
C97 C87 C77 129.5(12) . . ?
C137 C87 C77 108.3(9) . . ?
C87 C97 C107 118.9(12) . . ?
C87 C97 H97A 120.5 . . ?
C107 C97 H97A 120.5 . . ?
C117 C107 C97 118.9(14) . . ?
C117 C107 H10H 120.5 . . ?
C97 C107 H10H 120.5 . . ?
C107 C117 C127 123.4(13) . . ?
C107 C117 H11H 118.3 . . ?
C127 C117 H11H 118.3 . . ?
C137 C127 C117 116.7(10) . . ?
C137 C127 H12I 121.6 . . ?
C117 C127 H12I 121.6 . . ?
C127 C137 C87 120.0(10) . . ?
C127 C137 C147 130.1(11) . . ?
C87 C137 C147 109.8(9) . . ?
N17 C147 C157 117.6(9) . . ?
N17 C147 C137 136.6(9) . . ?
C157 C147 C137 105.9(8) . . ?
N27 C157 C77 124.3(9) . . ?
N27 C157 C147 126.6(8) . . ?
C77 C157 C147 109.2(10) . . ?
N18 O18 Co5 119.6(4) . . ?
O18 N18 C148 117.2(6) . . ?
O18 N18 Co6 129.9(5) . . ?
C148 N18 Co6 112.5(5) . . ?
C158 N28 C18 114.7(8) . . ?
C158 N28 Co6 103.1(5) . . ?
C18 N28 Co6 142.0(6) . . ?
C78 N38 C68 108.9(8) . . ?
N28 C18 C28 119.5(8) . . ?
N28 C18 C68 120.6(8) . . ?
C28 C18 C68 119.9(8) . . ?
C38 C28 C18 120.2(8) . . ?
C38 C28 H28A 119.9 . . ?
C18 C28 H28A 119.9 . . ?
C28 C38 C48 119.7(8) . . ?
C28 C38 H38B 120.2 . . ?
C48 C38 H38B 120.2 . . ?
C58 C48 C38 121.1(8) . . ?
C58 C48 H48A 119.4 . . ?
C38 C48 H48A 119.4 . . ?
C48 C58 C68 118.6(9) . . ?
C48 C58 H58A 120.7 . . ?
C68 C58 H58A 120.7 . . ?
N38 C68 C18 125.8(8) . . ?
N38 C68 C58 113.6(9) . . ?
C18 C68 C58 120.4(9) . . ?
N38 C78 C158 124.9(9) . . ?
N38 C78 C88 126.0(10) . . ?
C158 C78 C88 109.1(9) . . ?
C98 C88 C138 117.2(10) . . ?
C98 C88 C78 134.7(10) . . ?
C138 C88 C78 108.0(10) . . ?
C108 C98 C88 120.5(9) . . ?
C108 C98 H98A 119.8 . . ?
C88 C98 H98A 119.8 . . ?
C98 C108 C118 121.0(10) . . ?
C98 C108 H10I 119.5 . . ?
C118 C108 H10I 119.5 . . ?
C128 C118 C108 120.7(10) . . ?
C128 C118 H11I 119.6 . . ?
C108 C118 H11I 119.6 . . ?
C118 C128 C138 119.3(9) . . ?
C118 C128 H12J 120.3 . . ?
C138 C128 H12J 120.3 . . ?
C128 C138 C148 132.9(9) . . ?
C128 C138 C88 121.0(10) . . ?
C148 C138 C88 106.0(9) . . ?
N18 C148 C138 134.5(8) . . ?
N18 C148 C158 114.2(8) . . ?
C138 C148 C158 111.1(8) . . ?
N28 C158 C78 124.9(9) . . ?
N28 C158 C148 129.3(8) . . ?
C78 C158 C148 105.8(9) . . ?
N19 O19 Co6 110.4(4) . . ?
N19 O19 Co7 116.1(4) . . ?
Co6 O19 Co7 117.2(2) . . ?
C159 N19 O19 115.3(6) . . ?
C159 N19 Co1 137.3(6) . . ?
O19 N19 Co1 107.0(5) . . ?
C99 N29 C19 115.9(8) . . ?
C79 N39 C69 117.1(9) . . ?
C29 C19 N29 120.5(9) . . ?
C29 C19 C69 117.0(9) . . ?
N29 C19 C69 122.5(9) . . ?
C19 C29 C39 121.1(8) . . ?
C19 C29 H29B 119.4 . . ?
C39 C29 H29B 119.4 . . ?
C29 C39 C49 121.3(8) . . ?
C29 C39 H39B 119.4 . . ?
C49 C39 H39B 119.4 . . ?
C59 C49 C39 118.9(9) . . ?
C59 C49 H49A 120.6 . . ?
C39 C49 H49A 120.6 . . ?
C49 C59 C69 121.5(9) . . ?
C49 C59 H59A 119.2 . . ?
C69 C59 H59A 119.2 . . ?
C59 C69 N39 121.8(10) . . ?
C59 C69 C19 120.1(9) . . ?
N39 C69 C19 118.0(10) . . ?
N39 C79 C99 123.6(8) . . ?
N39 C79 C89 128.5(10) . . ?
C99 C79 C89 107.6(9) . . ?
C149 C89 C109 119.9(9) . . ?
C149 C89 C79 110.9(10) . . ?
C109 C89 C79 129.2(11) . . ?
N29 C99 C79 122.6(8) . . ?
N29 C99 C159 128.6(8) . . ?
C79 C99 C159 108.8(8) . . ?
C119 C109 C89 114.1(11) . . ?
C119 C109 H10J 122.9 . . ?
C89 C109 H10J 122.9 . . ?
C129 C119 C109 124.3(10) . . ?
C129 C119 H11J 117.8 . . ?
C109 C119 H11J 117.8 . . ?
C139 C129 C119 121.0(11) . . ?
C139 C129 H12K 119.5 . . ?
C119 C129 H12K 119.5 . . ?
C129 C139 C149 117.4(10) . . ?
C129 C139 H13B 121.3 . . ?
C149 C139 H13B 121.3 . . ?
C139 C149 C89 123.2(9) . . ?
C139 C149 C159 128.9(11) . . ?
C89 C149 C159 107.7(9) . . ?
N19 C159 C149 129.2(8) . . ?
N19 C159 C99 124.9(8) . . ?
C149 C159 C99 105.0(8) . . ?
C1A O1A Co2 123.5(7) . . ?
C1A O2A Co7 127.2(7) . . ?
O2A C1A O1A 130.6(10) . . ?
O2A C1A C2A 117.0(11) . . ?
O1A C1A C2A 111.7(11) . . ?
C1A C2A H2AA 109.5 . . ?
C1A C2A H2AB 109.5 . . ?
H2AA C2A H2AB 109.5 . . ?
C1A C2A H2AC 109.5 . . ?
H2AA C2A H2AC 109.5 . . ?
H2AB C2A H2AC 109.5 . . ?
C1B O1B Co4 130.9(5) . . ?
C1B O2B Co5 124.6(5) . . ?
O1B C1B O2B 125.0(8) . . ?
O1B C1B C2B 116.2(7) . . ?
O2B C1B C2B 118.8(8) . . ?
C1B C2B H2BA 109.5 . . ?
C1B C2B H2BB 109.5 . . ?
H2BA C2B H2BB 109.5 . . ?
C1B C2B H2BC 109.5 . . ?
H2BA C2B H2BC 109.5 . . ?
H2BB C2B H2BC 109.5 . . ?
C1C O1C Co7 118.0(8) . . ?
O2C C1C O1C 138.9(14) . . ?
O2C C1C C2C 115.8(14) . . ?
O1C C1C C2C 105.3(13) . . ?
C1C C2C H2C1 108.9 . . ?
C1C C2C H2C2 109.7 . . ?
H2C1 C2C H2C2 109.5 . . ?
C1C C2C H2C3 109.8 . . ?
H2C1 C2C H2C3 109.5 . . ?
H2C2 C2C H2C3 109.5 . . ?
O3 C1D H1D1 113.6 . . ?
H3B C1D H1D1 106.6 . . ?
O3 C1D H1D2 100.9 . . ?
H3B C1D H1D2 81.1 . . ?
H1D1 C1D H1D2 109.5 . . ?
O3 C1D H1D3 113.5 . . ?
H3B C1D H1D3 135.7 . . ?
H1D1 C1D H1D3 109.5 . . ?
H1D2 C1D H1D3 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
Co3 O11 N11 C141 106.1(6) . . . . ?
Co1 O11 N11 C141 -151.8(5) . . . . ?
Co3 O11 N11 Co2 -73.4(5) . . . . ?
Co1 O11 N11 Co2 28.7(6) . . . . ?
C151 N21 C11 C21 179.5(8) . . . . ?
Co2 N21 C11 C21 1.7(16) . . . . ?
C151 N21 C11 C61 0.4(13) . . . . ?
Co2 N21 C11 C61 -177.4(8) . . . . ?
N21 C11 C21 C31 -176.4(9) . . . . ?
C61 C11 C21 C31 2.7(15) . . . . ?
C11 C21 C31 C41 -6.5(15) . . . . ?
C21 C31 C41 C51 9.7(17) . . . . ?
C31 C41 C51 C61 -9.5(18) . . . . ?
C71 N31 C61 C51 -177.4(9) . . . . ?
C71 N31 C61 C11 0.1(14) . . . . ?
C41 C51 C61 N31 -176.7(11) . . . . ?
C41 C51 C61 C11 5.6(16) . . . . ?
N21 C11 C61 N31 -0.7(16) . . . . ?
C21 C11 C61 N31 -179.7(9) . . . . ?
N21 C11 C61 C51 176.9(9) . . . . ?
C21 C11 C61 C51 -2.2(15) . . . . ?
C61 N31 C71 C151 0.6(12) . . . . ?
C61 N31 C71 C81 -177.2(9) . . . . ?
N31 C71 C81 C131 178.1(8) . . . . ?
C151 C71 C81 C131 0.1(10) . . . . ?
N31 C71 C81 C91 -1.7(16) . . . . ?
C151 C71 C81 C91 -179.7(9) . . . . ?
C131 C81 C91 C101 1.3(13) . . . . ?
C71 C81 C91 C101 -178.9(10) . . . . ?
C81 C91 C101 C111 -0.2(15) . . . . ?
C91 C101 C111 C121 -1.4(15) . . . . ?
C101 C111 C121 C131 1.8(13) . . . . ?
C111 C121 C131 C81 -0.5(13) . . . . ?
C111 C121 C131 C141 179.4(8) . . . . ?
C91 C81 C131 C121 -1.0(13) . . . . ?
C71 C81 C131 C121 179.2(8) . . . . ?
C91 C81 C131 C141 179.1(8) . . . . ?
C71 C81 C131 C141 -0.8(10) . . . . ?
O11 N11 C141 C131 3.1(14) . . . . ?
Co2 N11 C141 C131 -177.4(9) . . . . ?
O11 N11 C141 C151 -171.9(6) . . . . ?
Co2 N11 C141 C151 7.6(9) . . . . ?
C121 C131 C141 N11 6.1(17) . . . . ?
C81 C131 C141 N11 -174.0(10) . . . . ?
C121 C131 C141 C151 -178.8(8) . . . . ?
C81 C131 C141 C151 1.1(9) . . . . ?
C11 N21 C151 C71 0.4(13) . . . . ?
Co2 N21 C151 C71 179.0(8) . . . . ?
C11 N21 C151 C141 176.4(8) . . . . ?
Co2 N21 C151 C141 -5.0(10) . . . . ?
N31 C71 C151 N21 -1.0(15) . . . . ?
C81 C71 C151 N21 177.1(9) . . . . ?
N31 C71 C151 C141 -177.5(8) . . . . ?
C81 C71 C151 C141 0.6(9) . . . . ?
N11 C141 C151 N21 -1.4(12) . . . . ?
C131 C141 C151 N21 -177.9(8) . . . . ?
N11 C141 C151 C71 175.5(7) . . . . ?
C131 C141 C151 C71 -1.0(9) . . . . ?
Co4 O12 N12 C142 -173.4(5) . . . . ?
Co4 O12 N12 Co3 7.0(8) . . . . ?
C152 N22 C12 C22 -179.7(7) . . . . ?
Co3 N22 C12 C22 10.9(12) . . . . ?
C152 N22 C12 C62 -0.7(9) . . . . ?
Co3 N22 C12 C62 -170.0(6) . . . . ?
N22 C12 C22 C32 -179.5(7) . . . . ?
C62 C12 C22 C32 1.5(11) . . . . ?
C12 C22 C32 C42 -1.3(13) . . . . ?
C22 C32 C42 C52 1.4(14) . . . . ?
C32 C42 C52 C62 -1.8(14) . . . . ?
C72 N32 C62 C52 -178.7(7) . . . . ?
C72 N32 C62 C12 -1.4(11) . . . . ?
C42 C52 C62 N32 179.5(8) . . . . ?
C42 C52 C62 C12 1.9(12) . . . . ?
N22 C12 C62 N32 1.8(11) . . . . ?
C22 C12 C62 N32 -179.1(8) . . . . ?
N22 C12 C62 C52 179.2(7) . . . . ?
C22 C12 C62 C52 -1.7(11) . . . . ?
C62 N32 C72 C152 0.0(11) . . . . ?
C62 N32 C72 C82 179.4(8) . . . . ?
N32 C72 C82 C92 1.1(14) . . . . ?
C152 C72 C82 C92 -179.4(8) . . . . ?
N32 C72 C82 C132 -177.7(8) . . . . ?
C152 C72 C82 C132 1.8(9) . . . . ?
C132 C82 C92 C102 -2.4(14) . . . . ?
C72 C82 C92 C102 179.1(8) . . . . ?
C82 C92 C102 C112 0.6(14) . . . . ?
C92 C102 C112 C122 0.6(13) . . . . ?
C102 C112 C122 C132 -0.2(12) . . . . ?
C112 C122 C132 C82 -1.3(12) . . . . ?
C112 C122 C132 C142 -178.8(8) . . . . ?
C92 C82 C132 C122 2.8(13) . . . . ?
C72 C82 C132 C122 -178.5(7) . . . . ?
C92 C82 C132 C142 -179.3(8) . . . . ?
C72 C82 C132 C142 -0.5(9) . . . . ?
O12 N12 C142 C152 177.8(6) . . . . ?
Co3 N12 C142 C152 -2.6(8) . . . . ?
O12 N12 C142 C132 6.0(12) . . . . ?
Co3 N12 C142 C132 -174.3(7) . . . . ?
C122 C132 C142 N12 -10.9(15) . . . . ?
C82 C132 C142 N12 171.5(8) . . . . ?
C122 C132 C142 C152 176.6(8) . . . . ?
C82 C132 C142 C152 -1.0(9) . . . . ?
C12 N22 C152 C142 -176.0(7) . . . . ?
Co3 N22 C152 C142 -2.9(8) . . . . ?
C12 N22 C152 C72 -0.6(10) . . . . ?
Co3 N22 C152 C72 172.5(6) . . . . ?
N12 C142 C152 N22 4.1(11) . . . . ?
C132 C142 C152 N22 178.1(7) . . . . ?
N12 C142 C152 C72 -171.8(7) . . . . ?
C132 C142 C152 C72 2.1(8) . . . . ?
N32 C72 C152 N22 1.1(12) . . . . ?
C82 C72 C152 N22 -178.5(7) . . . . ?
N32 C72 C152 C142 177.1(7) . . . . ?
C82 C72 C152 C142 -2.5(8) . . . . ?
Co2 O13 N13 C143 -176.9(5) . . . . ?
Co2 O13 N13 Co3 12.6(8) . . . . ?
C153 N23 C13 C23 176.7(7) . . . . ?
Co3 N23 C13 C23 -4.5(13) . . . . ?
C153 N23 C13 C63 -3.5(11) . . . . ?
Co3 N23 C13 C63 175.3(6) . . . . ?
N23 C13 C23 C33 179.8(7) . . . . ?
C63 C13 C23 C33 0.0(13) . . . . ?
C13 C23 C33 C43 -3.2(15) . . . . ?
C23 C33 C43 C53 5.6(18) . . . . ?
C33 C43 C53 C63 -4.7(19) . . . . ?
C73 N33 C63 C53 -177.6(8) . . . . ?
C73 N33 C63 C13 4.8(13) . . . . ?
C43 C53 C63 N33 -176.4(10) . . . . ?
C43 C53 C63 C13 1.4(16) . . . . ?
C23 C13 C63 N33 178.6(8) . . . . ?
N23 C13 C63 N33 -1.2(13) . . . . ?
C23 C13 C63 C53 0.9(13) . . . . ?
N23 C13 C63 C53 -178.9(8) . . . . ?
C63 N33 C73 C153 -3.8(12) . . . . ?
C63 N33 C73 C83 176.3(8) . . . . ?
N33 C73 C83 C93 3.4(16) . . . . ?
C153 C73 C83 C93 -176.5(8) . . . . ?
N33 C73 C83 C133 -180.0(9) . . . . ?
C153 C73 C83 C133 0.2(9) . . . . ?
C133 C83 C93 C103 3.0(13) . . . . ?
C73 C83 C93 C103 179.3(8) . . . . ?
C83 C93 C103 C113 -3.1(14) . . . . ?
C93 C103 C113 C123 3.9(15) . . . . ?
C103 C113 C123 C133 -4.1(14) . . . . ?
C113 C123 C133 C83 3.7(13) . . . . ?
C113 C123 C133 C143 -179.4(9) . . . . ?
C93 C83 C133 C123 -3.4(13) . . . . ?
C73 C83 C133 C123 179.6(8) . . . . ?
C93 C83 C133 C143 179.0(8) . . . . ?
C73 C83 C133 C143 2.1(9) . . . . ?
O13 N13 C143 C153 179.4(6) . . . . ?
Co3 N13 C143 C153 -7.8(9) . . . . ?
O13 N13 C143 C133 -3.3(13) . . . . ?
Co3 N13 C143 C133 169.4(8) . . . . ?
C123 C133 C143 N13 1.8(17) . . . . ?
C83 C133 C143 N13 179.0(9) . . . . ?
C123 C133 C143 C153 179.3(9) . . . . ?
C83 C133 C143 C153 -3.5(9) . . . . ?
C13 N23 C153 C143 -173.8(7) . . . . ?
Co3 N23 C153 C143 7.0(9) . . . . ?
C13 N23 C153 C73 4.5(11) . . . . ?
Co3 N23 C153 C73 -174.7(6) . . . . ?
N13 C143 C153 N23 0.2(12) . . . . ?
C133 C143 C153 N23 -177.8(7) . . . . ?
N13 C143 C153 C73 -178.4(7) . . . . ?
C133 C143 C153 C73 3.7(9) . . . . ?
N33 C73 C153 N23 -0.8(13) . . . . ?
C83 C73 C153 N23 179.0(7) . . . . ?
N33 C73 C153 C143 177.7(8) . . . . ?
C83 C73 C153 C143 -2.4(9) . . . . ?
Co3 O14 N14 C144 111.3(6) . . . . ?
Co1 O14 N14 C144 -143.5(5) . . . . ?
Co3 O14 N14 Co4 -76.8(5) . . . . ?
Co1 O14 N14 Co4 28.3(6) . . . . ?
C154 N24 C14 C24 177.8(7) . . . . ?
Co4 N24 C14 C24 22.4(11) . . . . ?
C154 N24 C14 C64 3.0(9) . . . . ?
Co4 N24 C14 C64 -152.4(5) . . . . ?
N24 C14 C24 C34 -173.3(6) . . . . ?
C64 C14 C24 C34 1.6(11) . . . . ?
C14 C24 C34 C44 -0.1(11) . . . . ?
C24 C34 C44 C54 -2.2(11) . . . . ?
C34 C44 C54 C64 2.8(11) . . . . ?
C74 N34 C64 C14 2.9(10) . . . . ?
C74 N34 C64 C54 -176.7(6) . . . . ?
N24 C14 C64 N34 -5.6(11) . . . . ?
C24 C14 C64 N34 179.4(7) . . . . ?
N24 C14 C64 C54 174.0(6) . . . . ?
C24 C14 C64 C54 -1.0(10) . . . . ?
C44 C54 C64 N34 178.4(7) . . . . ?
C44 C54 C64 C14 -1.2(11) . . . . ?
C64 N34 C74 C154 1.8(10) . . . . ?
C64 N34 C74 C84 179.2(7) . . . . ?
N34 C74 C84 C94 8.0(14) . . . . ?
C154 C74 C84 C94 -174.2(8) . . . . ?
N34 C74 C84 C134 -173.9(7) . . . . ?
C154 C74 C84 C134 4.0(8) . . . . ?
C134 C84 C94 C104 0.7(12) . . . . ?
C74 C84 C94 C104 178.7(8) . . . . ?
C84 C94 C104 C114 -0.5(14) . . . . ?
C94 C104 C114 C124 0.5(13) . . . . ?
C104 C114 C124 C134 -0.9(11) . . . . ?
C114 C124 C134 C84 1.2(12) . . . . ?
C114 C124 C134 C144 -178.1(7) . . . . ?
C94 C84 C134 C124 -1.2(12) . . . . ?
C74 C84 C134 C124 -179.4(7) . . . . ?
C94 C84 C134 C144 178.3(7) . . . . ?
C74 C84 C134 C144 0.1(9) . . . . ?
O14 N14 C144 C154 177.7(6) . . . . ?
Co4 N14 C144 C154 5.1(8) . . . . ?
O14 N14 C144 C134 0.5(12) . . . . ?
Co4 N14 C144 C134 -172.1(7) . . . . ?
C124 C134 C144 N14 -7.3(15) . . . . ?
C84 C134 C144 N14 173.3(8) . . . . ?
C124 C134 C144 C154 175.3(8) . . . . ?
C84 C134 C144 C154 -4.1(8) . . . . ?
C14 N24 C154 C74 1.4(10) . . . . ?
Co4 N24 C154 C74 164.9(6) . . . . ?
C14 N24 C154 C144 -173.7(6) . . . . ?
Co4 N24 C154 C144 -10.2(8) . . . . ?
N34 C74 C154 N24 -4.2(11) . . . . ?
C84 C74 C154 N24 177.7(7) . . . . ?
N34 C74 C154 C144 171.5(7) . . . . ?
C84 C74 C154 C144 -6.6(8) . . . . ?
N14 C144 C154 N24 4.6(11) . . . . ?
C134 C144 C154 N24 -177.5(7) . . . . ?
N14 C144 C154 C74 -171.1(6) . . . . ?
C134 C144 C154 C74 6.9(8) . . . . ?
C145 N15 O15 Co4 -156.8(8) . . . . ?
C145 N15 O15 Co5 36(3) . . . . ?
C155 N25 C15 C25 -174.8(12) . . . . ?
Co5 N25 C15 C25 6.8(16) . . . . ?
C155 N25 C15 C65 3.9(15) . . . . ?
Co5 N25 C15 C65 -174.5(10) . . . . ?
N25 C15 C25 C35 179.4(13) . . . . ?
C65 C15 C25 C35 1(2) . . . . ?
C15 C25 C35 C45 -5(2) . . . . ?
C25 C35 C45 C55 5(2) . . . . ?
C35 C45 C55 C65 0(2) . . . . ?
C75 N35 C65 C55 171.1(13) . . . . ?
C75 N35 C65 C15 -5.7(16) . . . . ?
C45 C55 C65 N35 178.8(14) . . . . ?
C45 C55 C65 C15 -4(2) . . . . ?
N25 C15 C65 N35 2.2(19) . . . . ?
C25 C15 C65 N35 -179.1(12) . . . . ?
N25 C15 C65 C55 -174.7(12) . . . . ?
C25 C15 C65 C55 4.0(18) . . . . ?
C65 N35 C75 C155 3.3(16) . . . . ?
C65 N35 C75 C85 -173.9(13) . . . . ?
N35 C75 C85 C135 176.7(13) . . . . ?
C155 C75 C85 C135 -0.9(15) . . . . ?
N35 C75 C85 C95 0(2) . . . . ?
C155 C75 C85 C95 -177.8(15) . . . . ?
C135 C85 C95 C105 5(2) . . . . ?
C75 C85 C95 C105 -178.1(15) . . . . ?
C85 C95 C105 C115 -5(2) . . . . ?
C95 C105 C115 C125 4(2) . . . . ?
C105 C115 C125 C135 -3(2) . . . . ?
C115 C125 C135 C85 4(2) . . . . ?
C115 C125 C135 C145 -176.9(13) . . . . ?
C95 C85 C135 C125 -5(2) . . . . ?
C75 C85 C135 C125 177.8(13) . . . . ?
C95 C85 C135 C145 175.7(13) . . . . ?
C75 C85 C135 C145 -1.7(14) . . . . ?
C125 C135 C145 C155 -176.0(14) . . . . ?
C85 C135 C145 C155 3.6(13) . . . . ?
C125 C135 C145 N15 5(2) . . . . ?
C85 C135 C145 N15 -175.9(11) . . . . ?
O15 N15 C145 C135 178.1(11) . . . . ?
O15 N15 C145 C155 -1.3(17) . . . . ?
C15 N25 C155 C75 -6.9(16) . . . . ?
Co5 N25 C155 C75 171.5(11) . . . . ?
C15 N25 C155 C145 171.1(11) . . . . ?
Co5 N25 C155 C145 -10.4(15) . . . . ?
N35 C75 C155 N25 4(2) . . . . ?
C85 C75 C155 N25 -178.7(12) . . . . ?
N35 C75 C155 C145 -174.7(12) . . . . ?
C85 C75 C155 C145 3.0(13) . . . . ?
C135 C145 C155 N25 177.5(11) . . . . ?
N15 C145 C155 N25 -3(2) . . . . ?
C135 C145 C155 C75 -4.0(12) . . . . ?
N15 C145 C155 C75 175.4(13) . . . . ?
Co4 O1K N1K C14K 144.4(14) . . . . ?
Co4 O1K N1K Co5 -42.6(7) . . . . ?
C15K N025 C1K C2K -175.5(11) . . . . ?
C15K N025 C1K C6K 0.4(15) . . . . ?
N025 C1K C2K C3K -179.5(12) . . . . ?
C6K C1K C2K C3K 4.4(19) . . . . ?
C1K C2K C3K C4K -5(2) . . . . ?
C2K C3K C4K C5K 4.7(19) . . . . ?
C3K C4K C5K C6K -5.0(18) . . . . ?
C7K N035 C6K C5K 179.3(11) . . . . ?
C7K N035 C6K C1K -1.2(17) . . . . ?
C4K C5K C6K N035 -175.7(13) . . . . ?
C4K C5K C6K C1K 4.8(18) . . . . ?
N025 C1K C6K N035 0.3(19) . . . . ?
C2K C1K C6K N035 176.1(13) . . . . ?
N025 C1K C6K C5K 179.8(11) . . . . ?
C2K C1K C6K C5K -4.4(17) . . . . ?
C6K N035 C7K C15K 1.3(15) . . . . ?
C6K N035 C7K C8K -174.3(13) . . . . ?
N035 C7K C8K C9K -9(2) . . . . ?
C15K C7K C8K C9K 175.1(15) . . . . ?
N035 C7K C8K C13K 174.3(12) . . . . ?
C15K C7K C8K C13K -1.7(14) . . . . ?
C13K C8K C9K C10K -4(2) . . . . ?
C7K C8K C9K C10K 179.6(14) . . . . ?
C8K C9K C10K C11K 4(2) . . . . ?
C9K C10K C11K C12K -3(2) . . . . ?
C10K C11K C12K C13K 0.9(18) . . . . ?
C11K C12K C13K C8K -0.6(17) . . . . ?
C11K C12K C13K C14K 174.9(11) . . . . ?
C9K C8K C13K C12K 2.0(18) . . . . ?
C7K C8K C13K C12K 179.4(11) . . . . ?
C9K C8K C13K C14K -174.4(12) . . . . ?
C7K C8K C13K C14K 3.0(13) . . . . ?
O1K N1K C14K C13K 0(2) . . . . ?
Co5 N1K C14K C13K -172.1(8) . . . . ?
O1K N1K C14K C15K -175.2(10) . . . . ?
Co5 N1K C14K C15K 13.2(17) . . . . ?
C12K C13K C14K N1K 5(2) . . . . ?
C8K C13K C14K N1K -178.4(14) . . . . ?
C12K C13K C14K C15K -179.2(11) . . . . ?
C8K C13K C14K C15K -3.2(12) . . . . ?
C1K N025 C15K C7K -0.3(17) . . . . ?
C1K N025 C15K C14K 174.9(10) . . . . ?
N035 C7K C15K N025 -0.7(19) . . . . ?
C8K C7K C15K N025 175.6(12) . . . . ?
N035 C7K C15K C14K -176.6(10) . . . . ?
C8K C7K C15K C14K -0.3(12) . . . . ?
N1K C14K C15K N025 1.5(18) . . . . ?
C13K C14K C15K N025 -174.2(11) . . . . ?
N1K C14K C15K C7K 177.7(12) . . . . ?
C13K C14K C15K C7K 2.1(11) . . . . ?
Co6 O16 N16 C146 100.7(6) . . . . ?
Co5 O16 N16 C146 -124.7(5) . . . . ?
Co6 O16 N16 Co1 -85.5(3) . . . . ?
Co5 O16 N16 Co1 49.2(5) . . . . ?
C156 N26 C16 C26 177.6(7) . . . . ?
C156 N26 C16 C66 2.7(10) . . . . ?
N26 C16 C26 C36 -177.5(7) . . . . ?
C66 C16 C26 C36 -2.8(12) . . . . ?
C16 C26 C36 C46 1.7(13) . . . . ?
C26 C36 C46 C56 -0.5(14) . . . . ?
C36 C46 C56 C66 0.2(14) . . . . ?
C76 N36 C66 C16 3.1(11) . . . . ?
C76 N36 C66 C56 -178.8(7) . . . . ?
C26 C16 C66 N36 -179.3(7) . . . . ?
N26 C16 C66 N36 -4.7(12) . . . . ?
C26 C16 C66 C56 2.5(12) . . . . ?
N26 C16 C66 C56 177.1(7) . . . . ?
C46 C56 C66 N36 -179.4(8) . . . . ?
C46 C56 C66 C16 -1.1(13) . . . . ?
C66 N36 C76 C156 0.3(11) . . . . ?
C66 N36 C76 C86 -174.2(7) . . . . ?
N36 C76 C86 C96 -3.7(13) . . . . ?
C156 C76 C86 C96 -178.8(7) . . . . ?
N36 C76 C86 C136 176.0(7) . . . . ?
C156 C76 C86 C136 0.9(8) . . . . ?
C136 C86 C96 C106 0.1(10) . . . . ?
C76 C86 C96 C106 179.7(7) . . . . ?
C86 C96 C106 C116 -1.0(11) . . . . ?
C96 C106 C116 C126 1.2(11) . . . . ?
C106 C116 C126 C136 -0.6(10) . . . . ?
C116 C126 C136 C86 -0.3(9) . . . . ?
C116 C126 C136 C146 178.3(6) . . . . ?
C96 C86 C136 C126 0.6(10) . . . . ?
C76 C86 C136 C126 -179.1(6) . . . . ?
C96 C86 C136 C146 -178.4(6) . . . . ?
C76 C86 C136 C146 1.9(8) . . . . ?
O16 N16 C146 C136 7.4(10) . . . . ?
Co1 N16 C146 C136 -163.8(5) . . . . ?
O16 N16 C146 C156 -169.0(6) . . . . ?
Co1 N16 C146 C156 19.7(11) . . . . ?
C126 C136 C146 N16 0.5(13) . . . . ?
C86 C136 C146 N16 179.3(7) . . . . ?
C126 C136 C146 C156 177.4(7) . . . . ?
C86 C136 C146 C156 -3.8(7) . . . . ?
C16 N26 C156 C76 0.5(10) . . . . ?
C16 N26 C156 C146 176.3(7) . . . . ?
N36 C76 C156 N26 -2.2(12) . . . . ?
C86 C76 C156 N26 173.2(6) . . . . ?
N36 C76 C156 C146 -178.6(7) . . . . ?
C86 C76 C156 C146 -3.3(8) . . . . ?
N16 C146 C156 N26 5.3(12) . . . . ?
C136 C146 C156 N26 -171.9(7) . . . . ?
N16 C146 C156 C76 -178.4(6) . . . . ?
C136 C146 C156 C76 4.4(7) . . . . ?
Co7 O17 N17 C147 -173.0(5) . . . . ?
Co7 O17 N17 Co6 19.0(8) . . . . ?
C157 N27 C17 C27 -178.3(7) . . . . ?
Co6 N27 C17 C27 -2.5(13) . . . . ?
C157 N27 C17 C67 2.1(10) . . . . ?
Co6 N27 C17 C67 177.9(5) . . . . ?
N27 C17 C27 C37 -177.7(7) . . . . ?
C67 C17 C27 C37 1.9(12) . . . . ?
C17 C27 C37 C47 1.0(13) . . . . ?
C27 C37 C47 C57 -3.5(15) . . . . ?
C37 C47 C57 C67 2.9(15) . . . . ?
C77 N37 C67 C57 -178.5(7) . . . . ?
C77 N37 C67 C17 2.9(12) . . . . ?
C47 C57 C67 N37 -179.0(9) . . . . ?
C47 C57 C67 C17 -0.3(13) . . . . ?
C27 C17 C67 N37 176.5(8) . . . . ?
N27 C17 C67 N37 -3.9(11) . . . . ?
C27 C17 C67 C57 -2.2(11) . . . . ?
N27 C17 C67 C57 177.4(7) . . . . ?
C67 N37 C77 C157 -0.3(12) . . . . ?
C67 N37 C77 C87 -176.5(8) . . . . ?
N37 C77 C87 C97 3.6(15) . . . . ?
C157 C77 C87 C97 -173.0(8) . . . . ?
N37 C77 C87 C137 179.7(8) . . . . ?
C157 C77 C87 C137 3.0(9) . . . . ?
C137 C87 C97 C107 0.9(13) . . . . ?
C77 C87 C97 C107 176.4(8) . . . . ?
C87 C97 C107 C117 -0.4(16) . . . . ?
C97 C107 C117 C127 -0.5(17) . . . . ?
C107 C117 C127 C137 0.9(15) . . . . ?
C117 C127 C137 C87 -0.5(12) . . . . ?
C117 C127 C137 C147 -175.9(8) . . . . ?
C97 C87 C137 C127 -0.4(12) . . . . ?
C77 C87 C137 C127 -176.8(7) . . . . ?
C97 C87 C137 C147 175.9(7) . . . . ?
C77 C87 C137 C147 -0.5(9) . . . . ?
O17 N17 C147 C157 -177.7(6) . . . . ?
Co6 N17 C147 C157 -7.8(8) . . . . ?
O17 N17 C147 C137 1.2(13) . . . . ?
Co6 N17 C147 C137 171.1(7) . . . . ?
C127 C137 C147 N17 -5.3(15) . . . . ?
C87 C137 C147 N17 178.9(8) . . . . ?
C127 C137 C147 C157 173.6(8) . . . . ?
C87 C137 C147 C157 -2.2(8) . . . . ?
C17 N27 C157 C77 0.2(10) . . . . ?
Co6 N27 C157 C77 -177.1(6) . . . . ?
C17 N27 C157 C147 -179.7(6) . . . . ?
Co6 N27 C157 C147 3.0(8) . . . . ?
N37 C77 C157 N27 -1.3(12) . . . . ?
C87 C77 C157 N27 175.7(7) . . . . ?
N37 C77 C157 C147 178.7(7) . . . . ?
C87 C77 C157 C147 -4.4(8) . . . . ?
N17 C147 C157 N27 3.2(11) . . . . ?
C137 C147 C157 N27 -176.0(7) . . . . ?
N17 C147 C157 C77 -176.8(6) . . . . ?
C137 C147 C157 C77 4.1(8) . . . . ?
Co5 O18 N18 C148 179.8(5) . . . . ?
Co5 O18 N18 Co6 7.7(7) . . . . ?
C158 N28 C18 C28 177.3(8) . . . . ?
Co6 N28 C18 C28 -9.8(13) . . . . ?
C158 N28 C18 C68 -4.4(12) . . . . ?
Co6 N28 C18 C68 168.6(6) . . . . ?
N28 C18 C28 C38 -176.8(7) . . . . ?
C68 C18 C28 C38 4.8(12) . . . . ?
C18 C28 C38 C48 -5.2(12) . . . . ?
C28 C38 C48 C58 3.0(14) . . . . ?
C38 C48 C58 C68 -0.6(14) . . . . ?
C78 N38 C68 C18 -1.3(13) . . . . ?
C78 N38 C68 C58 -176.6(8) . . . . ?
N28 C18 C68 N38 4.3(14) . . . . ?
C28 C18 C68 N38 -177.3(8) . . . . ?
N28 C18 C68 C58 179.3(7) . . . . ?
C28 C18 C68 C58 -2.3(13) . . . . ?
C48 C58 C68 N38 175.8(8) . . . . ?
C48 C58 C68 C18 0.2(13) . . . . ?
C68 N38 C78 C158 -1.3(13) . . . . ?
C68 N38 C78 C88 -179.2(9) . . . . ?
N38 C78 C88 C98 1.5(19) . . . . ?
C158 C78 C88 C98 -176.7(11) . . . . ?
N38 C78 C88 C138 176.7(9) . . . . ?
C158 C78 C88 C138 -1.5(11) . . . . ?
C138 C88 C98 C108 5.7(16) . . . . ?
C78 C88 C98 C108 -179.4(11) . . . . ?
C88 C98 C108 C118 -2(2) . . . . ?
C98 C108 C118 C128 -3(2) . . . . ?
C108 C118 C128 C138 3.4(19) . . . . ?
C118 C128 C138 C148 176.0(11) . . . . ?
C118 C128 C138 C88 0.9(15) . . . . ?
C98 C88 C138 C128 -5.4(14) . . . . ?
C78 C88 C138 C128 178.4(8) . . . . ?
C98 C88 C138 C148 178.3(9) . . . . ?
C78 C88 C138 C148 2.2(10) . . . . ?
O18 N18 C148 C138 -2.1(14) . . . . ?
Co6 N18 C148 C138 171.4(8) . . . . ?
O18 N18 C148 C158 -175.5(6) . . . . ?
Co6 N18 C148 C158 -2.1(9) . . . . ?
C128 C138 C148 N18 8.6(18) . . . . ?
C88 C138 C148 N18 -175.8(9) . . . . ?
C128 C138 C148 C158 -177.8(9) . . . . ?
C88 C138 C148 C158 -2.2(10) . . . . ?
C18 N28 C158 C78 2.0(13) . . . . ?
Co6 N28 C158 C78 -173.5(8) . . . . ?
C18 N28 C158 C148 -179.2(8) . . . . ?
Co6 N28 C158 C148 5.2(11) . . . . ?
N38 C78 C158 N28 1.0(16) . . . . ?
C88 C78 C158 N28 179.1(9) . . . . ?
N38 C78 C158 C148 -178.0(9) . . . . ?
C88 C78 C158 C148 0.1(11) . . . . ?
N18 C148 C158 N28 -2.6(14) . . . . ?
C138 C148 C158 N28 -177.6(9) . . . . ?
N18 C148 C158 C78 176.3(8) . . . . ?
C138 C148 C158 C78 1.3(10) . . . . ?
Co6 O19 N19 C159 101.9(7) . . . . ?
Co7 O19 N19 C159 -121.7(6) . . . . ?
Co6 O19 N19 Co1 -84.3(4) . . . . ?
Co7 O19 N19 Co1 52.1(4) . . . . ?
C99 N29 C19 C29 -178.5(7) . . . . ?
C99 N29 C19 C69 -0.4(11) . . . . ?
N29 C19 C29 C39 177.7(7) . . . . ?
C69 C19 C29 C39 -0.5(12) . . . . ?
C19 C29 C39 C49 0.3(12) . . . . ?
C29 C39 C49 C59 2.5(13) . . . . ?
C39 C49 C59 C69 -5.2(14) . . . . ?
C49 C59 C69 N39 -178.4(8) . . . . ?
C49 C59 C69 C19 5.1(13) . . . . ?
C79 N39 C69 C59 -178.3(8) . . . . ?
C79 N39 C69 C19 -1.8(13) . . . . ?
C29 C19 C69 C59 -2.1(12) . . . . ?
N29 C19 C69 C59 179.7(7) . . . . ?
C29 C19 C69 N39 -178.7(8) . . . . ?
N29 C19 C69 N39 3.1(12) . . . . ?
C69 N39 C79 C99 -1.9(14) . . . . ?
C69 N39 C79 C89 -175.5(9) . . . . ?
N39 C79 C89 C149 174.1(10) . . . . ?
C99 C79 C89 C149 -0.3(11) . . . . ?
N39 C79 C89 C109 -8.2(19) . . . . ?
C99 C79 C89 C109 177.5(11) . . . . ?
C19 N29 C99 C79 -3.4(11) . . . . ?
C19 N29 C99 C159 175.0(7) . . . . ?
N39 C79 C99 N29 4.9(14) . . . . ?
C89 C79 C99 N29 179.7(8) . . . . ?
N39 C79 C99 C159 -173.7(8) . . . . ?
C89 C79 C99 C159 1.0(10) . . . . ?
C149 C89 C109 C119 2.6(16) . . . . ?
C79 C89 C109 C119 -175.0(10) . . . . ?
C89 C109 C119 C129 -0.7(18) . . . . ?
C109 C119 C129 C139 -1.1(19) . . . . ?
C119 C129 C139 C149 1.1(16) . . . . ?
C129 C139 C149 C89 0.9(16) . . . . ?
C129 C139 C149 C159 175.6(10) . . . . ?
C109 C89 C149 C139 -2.8(17) . . . . ?
C79 C89 C149 C139 175.1(9) . . . . ?
C109 C89 C149 C159 -178.5(9) . . . . ?
C79 C89 C149 C159 -0.5(12) . . . . ?
O19 N19 C159 C149 7.3(13) . . . . ?
Co1 N19 C159 C149 -163.8(7) . . . . ?
O19 N19 C159 C99 -160.1(7) . . . . ?
Co1 N19 C159 C99 28.8(13) . . . . ?
C139 C149 C159 N19 16.4(17) . . . . ?
C89 C149 C159 N19 -168.3(9) . . . . ?
C139 C149 C159 C99 -174.3(10) . . . . ?
C89 C149 C159 C99 1.1(10) . . . . ?
N29 C99 C159 N19 -9.9(14) . . . . ?
C79 C99 C159 N19 168.7(8) . . . . ?
N29 C99 C159 C149 -179.8(8) . . . . ?
C79 C99 C159 C149 -1.2(9) . . . . ?
Co7 O2A C1A O1A -20.2(18) . . . . ?
Co7 O2A C1A C2A 169.8(6) . . . . ?
Co2 O1A C1A O2A 5.5(17) . . . . ?
Co2 O1A C1A C2A 175.9(6) . . . . ?
Co4 O1B C1B O2B -23.9(12) . . . . ?
Co4 O1B C1B C2B 156.3(5) . . . . ?
Co5 O2B C1B O1B -5.7(11) . . . . ?
Co5 O2B C1B C2B 174.1(5) . . . . ?
Co7 O1C C1C O2C -1(3) . . . . ?
Co7 O1C C1C C2C 179.7(7) . . . . ?


loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 N29 0.84 2.04 2.807(7) 150.6 .
O2 H2 N26 0.84 1.98 2.770(8) 155.8 .
O3 H3A O3M 0.85 2.10 2.717(10) 129.4 .
C21 H21A O1A 0.95 2.49 3.325(10) 146.3 .
C21 H21A O6W 0.95 2.35 3.08(3) 132.9 .
C22 H22A O13 0.95 2.39 3.295(10) 158.8 .
C22 H22A N13 0.95 2.41 3.224(10) 143.8 .
C23 H23A O12 0.95 2.42 3.367(10) 172.3 .
C23 H23A N12 0.95 2.51 3.302(10) 141.4 .
C24 H24A O1B 0.95 2.53 3.301(9) 138.4 .
C25 H25A O18 0.95 2.07 2.852(11) 138.8 .
C26 H26B O13 0.95 2.49 3.407(10) 162.7 .
C28 H28A N17 0.95 2.68 3.513(10) 147.4 .
C2A H2AA O6W 0.98 2.52 3.21(3) 127.3 .
C2A H2AB O9M 0.98 2.46 3.29(2) 141.7 2_656
C1D H1D3 O2W 0.98 2.29 2.86(4) 116.3 .
O1M H1M O1C 0.84 2.42 3.055(15) 133.0 2_656
C1M H1M1 O2A 0.98 1.94 2.709(16) 133.3 2_656
C1M H1M2 O5W 0.98 2.13 2.84(4) 128.5 .
O9M H1M3 O1M 0.32 1.85 2.12(2) 145.7 .
O9M H1M3 O2A 0.32 2.69 2.80(2) 107.2 2_656
O2M H2M O1W 0.84 2.27 2.896(9) 131.1 2_666
C2M H2M1 O7W 0.98 1.98 2.63(3) 120.8 .
O3M H3M O2W 0.84 1.99 2.822(12) 168.5 .
C3M H3M1 O3W 0.98 2.14 2.73(3) 117.3 2_556
C4M H4M2 O7M 0.98 1.39 2.32(3) 154.8 .
O6M H6M N39 0.84 2.18 2.95(2) 151.7 1_655
C6M H6M3 O7W 0.98 2.50 3.15(5) 124.2 .
O7M H7M O5M 0.84 2.55 3.01(2) 115.4 .
O7M H7M O5W 0.84 2.12 2.91(4) 155.4 2_666
O7M H7M O6W 0.84 2.21 3.03(3) 165.0 2_666

_refine_diff_density_max         0.502
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.080

_shelxl_version_number           2013-2



# start Validation Reply Form
_vrf_PLAT026_I                   
;
PROBLEM: Ratio Observed / Unique Reflections too Low ....         22 %     
RESPONSE: The crystal was very small and the quality of the crystal was very 
poor and we were not able to obtain better data.
;
_vrf_PLAT222_I                   
;
PROBLEM: Large Non-Solvent    H    Uiso(max)/Uiso(min) ..       10.0 Ratio 
RESPONSE: Such effect is often observed in case of poor data and probably additional 
disorder occur on terminal aromatic carbon atoms of ligand.
;
# end Validation Reply Form

_database_code_depnum_ccdc_archive 'CCDC 989902'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_at578a

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C210.40 H116.80 Co10 N42 O18), 2 (Cl O4),8.05(C H4 O), 5.75 (H2 O)'
_chemical_formula_sum            'C218.45 H160.50 Cl2 Co10 N42 O39.80'
_chemical_formula_weight         4670.78

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   18.982(5)
_cell_length_b                   23.662(6)
_cell_length_c                   25.681(6)
_cell_angle_alpha                77.95(3)
_cell_angle_beta                 73.89(3)
_cell_angle_gamma                72.97(3)
_cell_volume                     10493(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    11426
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      26.0

_exptl_crystal_description       block
_exptl_crystal_colour            pink-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_F_000             4775
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.880
_shelx_estimated_absorpt_T_min   0.748
_shelx_estimated_absorpt_T_max   0.858
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Analytical numeric absorption correction using a
multifaceted crystal model based on expressions
 derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur with CCD Ruby detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            87729
_diffrn_reflns_av_unetI/netI     0.1520
_diffrn_reflns_av_R_equivalents  0.0765
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.797
_diffrn_reflns_theta_max         26.057
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             41142
_reflns_number_gt                19457
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlis CCD (Agilent, 2013)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2013)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1520P)²+13.2772P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         41142
_refine_ls_number_parameters     2864
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.2025
_refine_ls_R_factor_gt           0.1006
_refine_ls_wR_factor_ref         0.3258
_refine_ls_wR_factor_gt          0.2487
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.011
_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 0.74030(6) 0.75757(5) 0.69150(4) 0.0331(3) Uani 1 1 d . . . . .
Co2 Co 0.63718(6) 0.74872(5) 0.82866(4) 0.0324(3) Uani 1 1 d . . . . .
Co3 Co 0.86536(7) 0.81153(6) 0.57182(5) 0.0441(3) Uani 1 1 d . . . . .
Co4 Co 0.65873(6) 0.90654(5) 0.62830(5) 0.0371(3) Uani 1 1 d . . . . .
Co5 Co 0.59531(7) 0.86425(5) 0.75528(4) 0.0375(3) Uani 1 1 d . . . . .
Co6 Co 0.52962(7) 0.86412(5) 0.89047(4) 0.0381(3) Uani 1 1 d . . . . .
Co7 Co 0.61617(7) 0.73693(5) 0.95781(5) 0.0417(3) Uani 1 1 d . . . . .
Co8 Co 0.65487(7) 0.61584(5) 0.89799(5) 0.0408(3) Uani 1 1 d . . . . .
Co9 Co 0.76907(7) 0.62673(5) 0.77077(5) 0.0400(3) Uani 1 1 d . . . . .
Co10 Co 0.89959(7) 0.65314(6) 0.64708(5) 0.0422(3) Uani 1 1 d . . . . .
O1 O 0.6911(3) 0.7994(2) 0.7633(2) 0.0313(12) Uani 1 1 d . . . . .
H1 H 0.7230 0.8128 0.7721 0.038 Uiso 1 1 calc R U . . .
O2 O 0.5413(3) 0.8222(2) 0.8265(2) 0.0357(13) Uani 1 1 d . . . . .
H2 H 0.5011 0.8135 0.8248 0.043 Uiso 1 1 calc R U . . .
O3 O 0.5932(3) 0.6992(2) 0.8994(2) 0.0361(13) Uani 1 1 d . . . . .
H3 H 0.5456 0.7024 0.9038 0.043 Uiso 1 1 calc R U . . .
O1A O 0.8053(3) 0.8187(2) 0.6567(2) 0.0389(13) Uani 1 1 d . . . . .
N1A N 0.7628(4) 0.8762(3) 0.6536(3) 0.0386(17) Uani 1 1 d . . . . .
C0A C 0.7855(5) 0.9162(4) 0.6675(3) 0.036(2) Uani 1 1 d . . . . .
C1A C 0.8467(5) 0.9168(4) 0.6919(3) 0.044(2) Uani 1 1 d . . . . .
C2A C 0.8991(5) 0.8708(4) 0.7139(3) 0.046(2) Uani 1 1 d . . . . .
H2A H 0.8998 0.8303 0.7148 0.055 Uiso 1 1 calc R U . . .
C3A C 0.9508(6) 0.8854(5) 0.7345(4) 0.060(3) Uani 1 1 d . . . . .
H3A H 0.9860 0.8543 0.7509 0.072 Uiso 1 1 calc R U . . .
C4A C 0.9524(6) 0.9439(6) 0.7318(4) 0.064(3) Uani 1 1 d . . . . .
H4A H 0.9898 0.9520 0.7453 0.076 Uiso 1 1 calc R U . . .
C5A C 0.9003(6) 0.9918(5) 0.7097(4) 0.060(3) Uani 1 1 d . . . . .
H5A H 0.9020 1.0319 0.7078 0.072 Uiso 1 1 calc R U . . .
C6A C 0.8455(5) 0.9780(4) 0.6906(3) 0.042(2) Uani 1 1 d . . . . .
C7A C 0.7853(6) 1.0165(4) 0.6640(3) 0.046(2) Uani 1 1 d . . . . .
N2A N 0.7664(5) 1.0740(4) 0.6512(3) 0.054(2) Uani 1 1 d . . . . .
N3A N 0.6956(4) 0.9955(3) 0.6236(3) 0.0433(18) Uani 1 1 d . . . . .
C8A C 0.7104(6) 1.0947(4) 0.6220(4) 0.050(2) Uani 1 1 d . . . . .
C9A C 0.6888(7) 1.1563(5) 0.6032(5) 0.069(3) Uani 1 1 d . . . . .
H9A H 0.7113 1.1830 0.6119 0.083 Uiso 1 1 calc R U . . .
C10A C 0.6363(8) 1.1775(5) 0.5727(5) 0.085(4) Uani 1 1 d . . . . .
H10A H 0.6223 1.2191 0.5605 0.102 Uiso 1 1 calc R U . . .
C11A C 0.6020(7) 1.1393(5) 0.5588(5) 0.084(4) Uani 1 1 d . . . . .
H11A H 0.5660 1.1554 0.5369 0.101 Uiso 1 1 calc R U . . .
C12A C 0.6197(6) 1.0794(5) 0.5763(4) 0.060(3) Uani 1 1 d . . . . .
H12A H 0.5952 1.0540 0.5678 0.072 Uiso 1 1 calc R U . . .
C13A C 0.6752(6) 1.0562(4) 0.6072(4) 0.052(2) Uani 1 1 d . . . . .
C14A C 0.7477(5) 0.9775(4) 0.6511(3) 0.043(2) Uani 1 1 d . . . . .
O1B O 0.6506(3) 0.8145(2) 0.6580(2) 0.0321(12) Uani 1 1 d . . . . .
N1B N 0.5836(4) 0.8175(3) 0.6963(3) 0.0315(15) Uani 1 1 d . . . . .
C0B C 0.5306(4) 0.8054(3) 0.6806(3) 0.0326(18) Uani 1 1 d . . . . .
C1B C 0.5298(5) 0.7891(4) 0.6288(3) 0.0363(19) Uani 1 1 d . . . . .
C2B C 0.5850(5) 0.7803(4) 0.5811(3) 0.038(2) Uani 1 1 d . . . . .
H2B H 0.6342 0.7849 0.5779 0.046 Uiso 1 1 calc R U . . .
C3B C 0.5676(6) 0.7647(4) 0.5375(4) 0.049(2) Uani 1 1 d . . . . .
H3B H 0.6055 0.7591 0.5046 0.059 Uiso 1 1 calc R U . . .
C4B C 0.4971(6) 0.7570(5) 0.5408(4) 0.057(3) Uani 1 1 d . . . . .
H4B H 0.4875 0.7447 0.5111 0.068 Uiso 1 1 calc R U . . .
C5B C 0.4404(6) 0.7676(4) 0.5877(4) 0.055(3) Uani 1 1 d . . . . .
H5B H 0.3910 0.7640 0.5900 0.066 Uiso 1 1 calc R U . . .
C6B C 0.4569(5) 0.7836(4) 0.6319(3) 0.043(2) Uani 1 1 d . . . . .
C7B C 0.4093(5) 0.7952(4) 0.6859(4) 0.046(2) Uani 1 1 d . . . . .
N2B N 0.3383(4) 0.7942(4) 0.7056(3) 0.056(2) Uani 1 1 d . . . . .
N3B N 0.4276(4) 0.8215(3) 0.7664(3) 0.0344(16) Uani 1 1 d . . . . .
C8B C 0.3069(5) 0.8080(5) 0.7586(4) 0.055(3) Uani 1 1 d . . . . .
C9B C 0.2325(6) 0.8081(6) 0.7834(4) 0.075(4) Uani 1 1 d . . . . .
H9B H 0.2023 0.7993 0.7637 0.091 Uiso 1 1 calc R U . . .
C10B C 0.2019(6) 0.8206(6) 0.8348(5) 0.074(3) Uani 1 1 d . . . . .
H10B H 0.1504 0.8204 0.8507 0.089 Uiso 1 1 calc R U . . .
C11B C 0.2434(6) 0.8335(4) 0.8651(4) 0.057(3) Uani 1 1 d . . . . .
H11B H 0.2210 0.8418 0.9015 0.068 Uiso 1 1 calc R U . . .
C12B C 0.3189(5) 0.8344(4) 0.8414(4) 0.045(2) Uani 1 1 d . . . . .
H12B H 0.3477 0.8440 0.8618 0.054 Uiso 1 1 calc R U . . .
C13B C 0.3525(5) 0.8213(4) 0.7883(4) 0.042(2) Uani 1 1 d . . . . .
C14B C 0.4542(5) 0.8087(4) 0.7163(3) 0.0346(19) Uani 1 1 d . . . . .
O1C O 0.6854(3) 0.6907(2) 0.7344(2) 0.0356(13) Uani 1 1 d . . . . .
N1C N 0.6195(4) 0.7018(3) 0.7735(3) 0.0332(15) Uani 1 1 d . . . . .
C0C C 0.5662(5) 0.6815(3) 0.7684(3) 0.0324(18) Uani 1 1 d . . . . .
C1C C 0.5618(5) 0.6547(4) 0.7227(3) 0.039(2) Uani 1 1 d . . . . .
C2C C 0.6168(5) 0.6354(4) 0.6766(3) 0.045(2) Uani 1 1 d . . . . .
H2C H 0.6671 0.6391 0.6701 0.054 Uiso 1 1 calc R U . . .
C3C C 0.5955(6) 0.6108(5) 0.6409(4) 0.059(3) Uani 1 1 d . . . . .
H3C H 0.6321 0.5971 0.6095 0.071 Uiso 1 1 calc R U . . .
C4C C 0.5223(7) 0.6055(5) 0.6496(4) 0.067(3) Uani 1 1 d . . . . .
H4C H 0.5094 0.5894 0.6236 0.080 Uiso 1 1 calc R U . . .
C5C C 0.4686(6) 0.6229(5) 0.6945(4) 0.053(3) Uani 1 1 d . . . . .
H5C H 0.4186 0.6188 0.7003 0.064 Uiso 1 1 calc R U . . .
C6C C 0.4881(5) 0.6467(4) 0.7319(4) 0.046(2) Uani 1 1 d . . . . .
C7C C 0.4458(5) 0.6646(4) 0.7848(3) 0.041(2) Uani 1 1 d . . . . .
N2C N 0.3754(4) 0.6606(3) 0.8094(3) 0.0440(18) Uani 1 1 d . . . . .
N3C N 0.4694(4) 0.6992(3) 0.8584(3) 0.0368(16) Uani 1 1 d . . . . .
C8C C 0.3499(5) 0.6773(4) 0.8613(4) 0.042(2) Uani 1 1 d . . . . .
C9C C 0.2772(6) 0.6746(4) 0.8904(4) 0.054(3) Uani 1 1 d . . . . .
H9C H 0.2457 0.6630 0.8738 0.064 Uiso 1 1 calc R U . . .
C10C C 0.2500(6) 0.6885(4) 0.9427(4) 0.053(2) Uani 1 1 d . . . . .
H10C H 0.2005 0.6859 0.9625 0.063 Uiso 1 1 calc R U . . .
C11C C 0.2970(5) 0.7070(4) 0.9670(4) 0.047(2) Uani 1 1 d . . . . .
H11C H 0.2778 0.7175 1.0029 0.056 Uiso 1 1 calc R U . . .
C12C C 0.3674(5) 0.7098(4) 0.9403(3) 0.040(2) Uani 1 1 d . . . . .
H12C H 0.3978 0.7215 0.9578 0.048 Uiso 1 1 calc R U . . .
C13C C 0.3975(5) 0.6954(4) 0.8858(3) 0.039(2) Uani 1 1 d . . . . .
C14C C 0.4921(5) 0.6840(3) 0.8087(3) 0.0370(19) Uani 1 1 d . . . . .
O1D O 0.8348(3) 0.6903(2) 0.7168(2) 0.0355(13) Uani 1 1 d . . . . .
N1D N 0.8629(4) 0.7151(3) 0.7490(3) 0.0377(17) Uani 1 1 d . . . . .
C0D C 0.9308(5) 0.6883(4) 0.7542(3) 0.0351(19) Uani 1 1 d . . . . .
C1D C 0.9648(5) 0.7058(4) 0.7909(3) 0.0357(19) Uani 1 1 d . . . . .
C2D C 0.9372(5) 0.7523(4) 0.8222(4) 0.047(2) Uani 1 1 d . . . . .
H2D H 0.8894 0.7794 0.8212 0.057 Uiso 1 1 calc R U . . .
C3D C 0.9806(6) 0.7587(4) 0.8552(4) 0.052(2) Uani 1 1 d . . . . .
H3D H 0.9622 0.7905 0.8765 0.062 Uiso 1 1 calc R U . . .
C4D C 1.0504(6) 0.7192(4) 0.8574(4) 0.053(3) Uani 1 1 d . . . . .
H4D H 1.0790 0.7238 0.8805 0.064 Uiso 1 1 calc R U . . .
C5D C 1.0782(5) 0.6733(4) 0.8259(4) 0.047(2) Uani 1 1 d . . . . .
H5D H 1.1268 0.6471 0.8261 0.057 Uiso 1 1 calc R U . . .
C6D C 1.0343(5) 0.6660(4) 0.7939(3) 0.040(2) Uani 1 1 d . . . . .
C7D C 1.0482(5) 0.6205(4) 0.7591(3) 0.039(2) Uani 1 1 d . . . . .
N2D N 1.1062(4) 0.5741(3) 0.7498(3) 0.0477(19) Uani 1 1 d . . . . .
N3D N 0.9837(4) 0.6050(3) 0.6951(3) 0.0385(17) Uani 1 1 d . . . . .
C8D C 1.1043(5) 0.5407(4) 0.7131(4) 0.046(2) Uani 1 1 d . . . . .
C9D C 1.1632(6) 0.4899(5) 0.7020(4) 0.065(3) Uani 1 1 d . . . . .
H9D H 1.2025 0.4786 0.7211 0.078 Uiso 1 1 calc R U . . .
C10D C 1.1651(6) 0.4568(5) 0.6650(5) 0.079(4) Uani 1 1 d . . . . .
H10D H 1.2060 0.4227 0.6583 0.094 Uiso 1 1 calc R U . . .
C11D C 1.1092(6) 0.4712(5) 0.6364(4) 0.063(3) Uani 1 1 d . . . . .
H11D H 1.1125 0.4476 0.6097 0.076 Uiso 1 1 calc R U . . .
C12D C 1.0482(5) 0.5198(4) 0.6467(4) 0.051(2) Uani 1 1 d . . . . .
H12D H 1.0087 0.5289 0.6279 0.061 Uiso 1 1 calc R U . . .
C13D C 1.0449(5) 0.5557(4) 0.6847(3) 0.041(2) Uani 1 1 d . . . . .
C14D C 0.9854(5) 0.6350(4) 0.7327(3) 0.0332(18) Uani 1 1 d . . . . .
O1E O 0.7917(5) 0.7127(4) 0.6191(3) 0.074(2) Uani 1 1 d . . . . .
N1E N 0.8201(5) 0.7418(4) 0.5783(5) 0.081(3) Uani 1 1 d . . . . .
C0E C 0.8198(7) 0.7270(4) 0.5267(4) 0.063(3) Uani 1 1 d . . . . .
C1E C 0.7868(6) 0.6946(4) 0.5044(4) 0.058(3) Uani 1 1 d . . . . .
C2E C 0.7366(7) 0.6614(5) 0.5295(5) 0.071(3) Uani 1 1 d . . . . .
C3E C 0.7107(7) 0.6360(6) 0.4979(5) 0.083(4) Uani 1 1 d . . . . .
H3E H 0.6744 0.6135 0.5152 0.099 Uiso 1 1 calc R U . . .
C4E C 0.7357(7) 0.6419(5) 0.4412(6) 0.082(4) Uani 1 1 d . . . . .
H4E H 0.7166 0.6230 0.4208 0.098 Uiso 1 1 calc R U . . .
C5E C 0.7887(7) 0.6754(5) 0.4134(5) 0.074(3) Uani 1 1 d . . . . .
H5E H 0.8062 0.6803 0.3747 0.088 Uiso 1 1 calc R U . . .
C6E C 0.8141(6) 0.7015(4) 0.4478(4) 0.057(3) Uani 1 1 d . . . . .
C7E C 0.8701(6) 0.7368(4) 0.4326(4) 0.053(2) Uani 1 1 d . . . . .
N2E N 0.9129(6) 0.7523(4) 0.3864(4) 0.070(3) Uani 1 1 d . . . . .
N3E N 0.9170(5) 0.7853(4) 0.4863(4) 0.069(3) Uani 1 1 d . . . . .
C8E C 0.9613(9) 0.7826(7) 0.3900(6) 0.101(5) Uani 1 1 d . . . . .
C9E C 1.0151(11) 0.7962(8) 0.3417(7) 0.132(7) Uani 1 1 d . . . . .
H9E H 1.0131 0.7858 0.3084 0.158 Uiso 1 1 calc R U . . .
C10E C 1.0687(10) 0.8230(8) 0.3408(7) 0.131(7) Uani 1 1 d . . . . .
H10E H 1.1031 0.8315 0.3072 0.157 Uiso 1 1 calc R U . . .
C11E C 1.0746(9) 0.8388(8) 0.3892(8) 0.130(7) Uani 1 1 d . . . . .
H11E H 1.1141 0.8558 0.3894 0.155 Uiso 1 1 calc R U . . .
C12E C 1.0204(9) 0.8286(7) 0.4362(7) 0.107(5) Uani 1 1 d . . . . .
H12E H 1.0206 0.8414 0.4688 0.128 Uiso 1 1 calc R U . . .
C13E C 0.9653(7) 0.7999(6) 0.4372(5) 0.075(3) Uani 1 1 d . . . . .
C14E C 0.8724(6) 0.7552(5) 0.4817(4) 0.061(3) Uani 1 1 d . . . . .
O1F O 0.6419(3) 0.7979(2) 0.8922(2) 0.0395(14) Uani 1 1 d . . . . .
N1F N 0.7017(4) 0.8257(3) 0.8793(3) 0.0413(17) Uani 1 1 d . . . . .
C0F C 0.7235(5) 0.8304(4) 0.9215(4) 0.041(2) Uani 1 1 d . . . . .
C1F C 0.7817(5) 0.8641(4) 0.9148(4) 0.046(2) Uani 1 1 d . . . . .
C2F C 0.8187(6) 0.8944(4) 0.8694(4) 0.052(2) Uani 1 1 d . . . . .
H2F H 0.8117 0.8943 0.8341 0.063 Uiso 1 1 calc R U . . .
C3F C 0.8677(6) 0.9259(5) 0.8761(5) 0.065(3) Uani 1 1 d . . . . .
H3F H 0.8941 0.9473 0.8450 0.078 Uiso 1 1 calc R U . . .
C4F C 0.8772(7) 0.9258(5) 0.9270(5) 0.078(4) Uani 1 1 d . . . . .
H4F H 0.9094 0.9482 0.9305 0.094 Uiso 1 1 calc R U . . .
C5F C 0.8423(7) 0.8947(5) 0.9730(5) 0.073(3) Uani 1 1 d . . . . .
H5F H 0.8514 0.8940 1.0077 0.088 Uiso 1 1 calc R U . . .
C6F C 0.7922(6) 0.8635(4) 0.9674(4) 0.059(3) Uani 1 1 d . . . . .
C7F C 0.7440(6) 0.8290(4) 1.0087(4) 0.053(3) Uani 1 1 d . . . . .
N2F N 0.7390(5) 0.8159(4) 1.0613(4) 0.064(2) Uani 1 1 d . . . . .
N3F N 0.6531(5) 0.7772(3) 1.0066(3) 0.0482(19) Uani 1 1 d . . . . .
C8F C 0.6882(6) 0.7837(5) 1.0888(4) 0.057(3) Uani 1 1 d . . . . .
C9F C 0.6773(8) 0.7690(6) 1.1457(5) 0.082(4) Uani 1 1 d . . . . .
H9F H 0.7053 0.7820 1.1644 0.098 Uiso 1 1 calc R U . . .
C10F C 0.6269(8) 0.7362(6) 1.1747(5) 0.083(4) Uani 1 1 d . . . . .
H10F H 0.6202 0.7264 1.2133 0.099 Uiso 1 1 calc R U . . .
C11F C 0.5848(7) 0.7169(5) 1.1474(4) 0.076(3) Uani 1 1 d . . . . .
H11F H 0.5503 0.6937 1.1676 0.091 Uiso 1 1 calc R U . . .
C12F C 0.5934(6) 0.7312(5) 1.0930(4) 0.064(3) Uani 1 1 d . . . . .
H12F H 0.5642 0.7187 1.0750 0.076 Uiso 1 1 calc R U . . .
C13F C 0.6448(6) 0.7643(4) 1.0627(4) 0.052(2) Uani 1 1 d . . . . .
C14F C 0.7004(5) 0.8104(4) 0.9801(4) 0.046(2) Uani 1 1 d . . . . .
O1G O 0.7327(3) 0.6774(2) 0.8353(2) 0.0400(14) Uani 1 1 d . . . . .
N1G N 0.7715(4) 0.6869(3) 0.8699(3) 0.0471(19) Uani 1 1 d . . . . .
C0G C 0.8305(5) 0.6463(4) 0.8776(3) 0.041(2) Uani 1 1 d . . . . .
C1G C 0.8691(5) 0.6459(4) 0.9206(4) 0.049(2) Uani 1 1 d . . . . .
C2G C 0.8538(6) 0.6855(5) 0.9562(4) 0.062(3) Uani 1 1 d . . . . .
H2G H 0.8149 0.7213 0.9540 0.074 Uiso 1 1 calc R U . . .
C3G C 0.8958(7) 0.6733(6) 0.9961(5) 0.077(3) Uani 1 1 d . . . . .
H3G H 0.8864 0.7013 1.0204 0.092 Uiso 1 1 calc R U . . .
C4G C 0.9511(7) 0.6202(6) 1.0000(4) 0.072(3) Uani 1 1 d . . . . .
H4G H 0.9787 0.6120 1.0276 0.086 Uiso 1 1 calc R U . . .
C5G C 0.9667(6) 0.5795(5) 0.9649(4) 0.060(3) Uani 1 1 d . . . . .
H5G H 1.0045 0.5432 0.9682 0.072 Uiso 1 1 calc R U . . .
C6G C 0.9265(6) 0.5921(5) 0.9247(4) 0.054(3) Uani 1 1 d . . . . .
C7G C 0.9295(5) 0.5587(4) 0.8824(4) 0.054(3) Uani 1 1 d . . . . .
N2G N 0.9765(5) 0.5075(4) 0.8708(4) 0.060(2) Uani 1 1 d . . . . .
N3G N 0.8590(4) 0.5709(3) 0.8126(3) 0.0423(18) Uani 1 1 d . . . . .
C8G C 0.9645(6) 0.4859(4) 0.8297(4) 0.057(3) Uani 1 1 d . . . . .
C9G C 1.0124(7) 0.4312(5) 0.8147(5) 0.074(3) Uani 1 1 d . . . . .
H9G H 1.0516 0.4109 0.8332 0.089 Uiso 1 1 calc R U . . .
C10G C 1.0033(8) 0.4058(5) 0.7726(6) 0.092(4) Uani 1 1 d . . . . .
H10G H 1.0379 0.3700 0.7615 0.110 Uiso 1 1 calc R U . . .
C11G C 0.9449(7) 0.4329(5) 0.7484(4) 0.064(3) Uani 1 1 d . . . . .
H11G H 0.9371 0.4137 0.7222 0.077 Uiso 1 1 calc R U . . .
C12G C 0.8953(6) 0.4880(4) 0.7602(4) 0.060(3) Uani 1 1 d . . . . .
H12G H 0.8555 0.5065 0.7418 0.073 Uiso 1 1 calc R U . . .
C13G C 0.9066(6) 0.5152(4) 0.8004(4) 0.054(3) Uani 1 1 d . . . . .
C14G C 0.8705(5) 0.5901(4) 0.8528(3) 0.041(2) Uani 1 1 d . . . . .
O1H O 0.7916(4) 0.8676(3) 0.5306(3) 0.0562(17) Uani 1 1 d . . . . .
N1H N 0.7177(4) 0.8870(3) 0.5487(3) 0.0429(18) Uani 1 1 d . . . . .
C0H C 0.6752(5) 0.8990(4) 0.5142(4) 0.039(2) Uani 1 1 d . . . . .
C1H C 0.6881(5) 0.8899(4) 0.4566(4) 0.046(2) Uani 1 1 d . . . . .
C2H C 0.7532(6) 0.8729(4) 0.4178(4) 0.057(3) Uani 1 1 d . . . . .
H2H H 0.8018 0.8655 0.4250 0.069 Uiso 1 1 calc R U . . .
C3H C 0.7447(7) 0.8670(5) 0.3672(4) 0.071(3) Uani 1 1 d . . . . .
H3H H 0.7889 0.8555 0.3394 0.085 Uiso 1 1 calc R U . . .
C4H C 0.6739(8) 0.8773(5) 0.3558(5) 0.069(3) Uani 1 1 d . . . . .
H4H H 0.6710 0.8722 0.3208 0.083 Uiso 1 1 calc R U . . .
C5H C 0.6083(7) 0.8946(4) 0.3945(4) 0.061(3) Uani 1 1 d . . . . .
H5H H 0.5601 0.9015 0.3868 0.074 Uiso 1 1 calc R U . . .
C6H C 0.6149(6) 0.9018(4) 0.4455(4) 0.046(2) Uani 1 1 d . . . . .
C7H C 0.5558(6) 0.9174(4) 0.4953(4) 0.049(2) Uani 1 1 d . . . . .
N2H N 0.4813(5) 0.9297(3) 0.5052(4) 0.056(2) Uani 1 1 d . . . . .
N3H N 0.5604(4) 0.9281(3) 0.5855(3) 0.0417(17) Uani 1 1 d . . . . .
C8H C 0.4440(5) 0.9395(4) 0.5577(4) 0.047(2) Uani 1 1 d . . . . .
C9H C 0.3650(6) 0.9497(4) 0.5716(5) 0.057(3) Uani 1 1 d . . . . .
H9H H 0.3394 0.9508 0.5443 0.068 Uiso 1 1 calc R U . . .
C10H C 0.3247(6) 0.9579(4) 0.6227(5) 0.062(3) Uani 1 1 d . . . . .
H10H H 0.2713 0.9636 0.6316 0.074 Uiso 1 1 calc R U . . .
C11H C 0.3626(6) 0.9580(5) 0.6631(5) 0.067(3) Uani 1 1 d . . . . .
H11H H 0.3342 0.9642 0.6992 0.081 Uiso 1 1 calc R U . . .
C12H C 0.4406(6) 0.9493(4) 0.6506(4) 0.058(3) Uani 1 1 d . . . . .
H12H H 0.4652 0.9503 0.6779 0.070 Uiso 1 1 calc R U . . .
C13H C 0.4828(5) 0.9392(4) 0.5983(4) 0.044(2) Uani 1 1 d . . . . .
C14H C 0.5938(5) 0.9175(4) 0.5363(4) 0.040(2) Uani 1 1 d . . . . .
O1I O 0.6105(4) 0.9300(3) 0.7935(3) 0.069(2) Uani 1 1 d . . . . .
N1I N 0.5887(5) 0.9241(4) 0.8444(4) 0.066(2) Uani 1 1 d . . . . .
C0I C 0.6080(6) 0.9595(5) 0.8714(6) 0.071(4) Uani 1 1 d . . . . .
C1I C 0.6551(7) 0.9999(5) 0.8535(5) 0.070(3) Uani 1 1 d . . . . .
C2I C 0.6863(7) 1.0274(6) 0.8048(6) 0.084(4) Uani 1 1 d . . . . .
H2I H 0.6782 1.0190 0.7726 0.101 Uiso 1 1 calc R U . . .
C3I C 0.7306(8) 1.0683(7) 0.7990(6) 0.103(5) Uani 1 1 d . . . . .
H3I H 0.7521 1.0872 0.7642 0.123 Uiso 1 1 calc R U . . .
C4I C 0.7408(8) 1.0795(7) 0.8489(8) 0.112(6) Uani 1 1 d . . . . .
H4I H 0.7698 1.1069 0.8465 0.135 Uiso 1 1 calc R U . . .
C5I C 0.7106(8) 1.0524(7) 0.9006(7) 0.100(5) Uani 1 1 d . . . . .
H5I H 0.7192 1.0600 0.9329 0.120 Uiso 1 1 calc R U . . .
C6I C 0.6667(7) 1.0130(5) 0.9023(6) 0.084(4) Uani 1 1 d . . . . .
C7I C 0.6263(7) 0.9798(5) 0.9496(6) 0.073(3) Uani 1 1 d . . . . .
N2I N 0.6228(7) 0.9746(4) 1.0008(5) 0.082(3) Uani 1 1 d . . . . .
N3I N 0.5456(6) 0.9138(4) 0.9584(5) 0.074(3) Uani 1 1 d . . . . .
C8I C 0.5789(8) 0.9388(6) 1.0351(6) 0.079(4) Uani 1 1 d . . . . .
C9I C 0.5751(10) 0.9320(7) 1.0901(7) 0.097(5) Uani 1 1 d . . . . .
H9I H 0.6047 0.9496 1.1032 0.116 Uiso 1 1 calc R U . . .
C10I C 0.5305(10) 0.9010(7) 1.1241(7) 0.104(6) Uani 1 1 d . . . . .
H10I H 0.5275 0.8971 1.1622 0.124 Uiso 1 1 calc R U . . .
C11I C 0.4856(8) 0.8726(6) 1.1064(6) 0.095(5) Uani 1 1 d . . . . .
H11I H 0.4529 0.8510 1.1323 0.114 Uiso 1 1 calc R U . . .
C12I C 0.4905(8) 0.8771(6) 1.0526(6) 0.084(4) Uani 1 1 d . . . . .
H12I H 0.4616 0.8579 1.0405 0.100 Uiso 1 1 calc R U . . .
C13I C 0.5368(8) 0.9091(5) 1.0146(6) 0.082(4) Uani 1 1 d . . . . .
C14I C 0.5882(7) 0.9479(5) 0.9290(5) 0.062(3) Uani 1 1 d . . . . .
O1J O 0.5041(4) 0.7634(3) 0.9883(2) 0.0500(16) Uani 1 1 d . . . . .
N1J N 0.4739(4) 0.8118(3) 0.9576(3) 0.0414(17) Uani 1 1 d . . . . .
C0J C 0.4015(5) 0.8363(4) 0.9718(4) 0.042(2) Uani 1 1 d . . . . .
C1J C 0.3375(5) 0.8234(4) 1.0148(4) 0.048(2) Uani 1 1 d . . . . .
C2J C 0.3334(6) 0.7801(5) 1.0601(4) 0.057(3) Uani 1 1 d . . . . .
H2J H 0.3779 0.7522 1.0680 0.068 Uiso 1 1 calc R U . . .
C3J C 0.2611(7) 0.7783(5) 1.0947(4) 0.067(3) Uani 1 1 d . . . . .
H3J H 0.2573 0.7488 1.1260 0.081 Uiso 1 1 calc R U . . .
C4J C 0.1964(7) 0.8187(5) 1.0836(5) 0.065(3) Uani 1 1 d . . . . .
H4J H 0.1485 0.8163 1.1069 0.078 Uiso 1 1 calc R U . . .
C5J C 0.2007(6) 0.8625(5) 1.0387(4) 0.061(3) Uani 1 1 d . . . . .
H5J H 0.1559 0.8906 1.0315 0.073 Uiso 1 1 calc R U . . .
C6J C 0.2709(5) 0.8654(5) 1.0041(4) 0.053(3) Uani 1 1 d . . . . .
C7J C 0.2915(6) 0.9085(4) 0.9546(4) 0.049(2) Uani 1 1 d . . . . .
N2J N 0.2491(5) 0.9558(4) 0.9304(4) 0.065(2) Uani 1 1 d . . . . .
N3J N 0.4121(4) 0.9145(3) 0.8937(3) 0.0437(18) Uani 1 1 d . . . . .
C8J C 0.2912(6) 0.9823(5) 0.8848(5) 0.059(3) Uani 1 1 d . . . . .
C9J C 0.2526(8) 1.0322(5) 0.8545(5) 0.083(4) Uani 1 1 d . . . . .
H9J H 0.1994 1.0463 0.8671 0.099 Uiso 1 1 calc R U . . .
C10J C 0.2880(8) 1.0609(6) 0.8084(6) 0.097(4) Uani 1 1 d . . . . .
H10J H 0.2599 1.0951 0.7895 0.116 Uiso 1 1 calc R U . . .
C11J C 0.3658(8) 1.0406(5) 0.7882(5) 0.078(3) Uani 1 1 d . . . . .
H11J H 0.3904 1.0602 0.7550 0.094 Uiso 1 1 calc R U . . .
C12J C 0.4059(6) 0.9930(5) 0.8160(4) 0.058(3) Uani 1 1 d . . . . .
H12J H 0.4591 0.9797 0.8026 0.070 Uiso 1 1 calc R U . . .
C13J C 0.3699(5) 0.9632(4) 0.8644(4) 0.049(2) Uani 1 1 d . . . . .
C14J C 0.3728(5) 0.8893(4) 0.9360(4) 0.041(2) Uani 1 1 d . . . . .
O1K O 0.6731(4) 0.6620(3) 0.9886(2) 0.0509(16) Uani 1 1 d . . . . .
N1K N 0.6972(4) 0.6110(3) 0.9648(3) 0.0462(19) Uani 1 1 d . . . . .
C0K C 0.7401(6) 0.5661(5) 0.9892(4) 0.055(3) Uani 1 1 d . . . . .
C1K C 0.7641(5) 0.5596(5) 1.0413(4) 0.054(3) Uani 1 1 d . . . . .
C2K C 0.7465(6) 0.5978(6) 1.0791(4) 0.071(3) Uani 1 1 d . . . . .
H2K H 0.7152 0.6371 1.0742 0.085 Uiso 1 1 calc R U . . .
C3K C 0.7773(7) 0.5759(7) 1.1255(5) 0.096(5) Uani 1 1 d . . . . .
H3K H 0.7646 0.6012 1.1528 0.116 Uiso 1 1 calc R U . . .
C4K C 0.8237(7) 0.5213(7) 1.1335(5) 0.096(5) Uani 1 1 d . . . . .
H4K H 0.8443 0.5094 1.1650 0.115 Uiso 1 1 calc R U . . .
C5K C 0.8412(6) 0.4824(6) 1.0952(5) 0.078(4) Uani 1 1 d . . . . .
H5K H 0.8735 0.4435 1.1002 0.094 Uiso 1 1 calc R U . . .
C6K C 0.8104(6) 0.5018(5) 1.0495(4) 0.067(3) Uani 1 1 d . . . . .
C7K C 0.8178(6) 0.4712(5) 1.0048(5) 0.070(4) Uani 1 1 d . . . . .
N2K N 0.8568(6) 0.4178(5) 0.9943(4) 0.087(3) Uani 1 1 d . . . . .
N3K N 0.7641(5) 0.4962(4) 0.9232(4) 0.059(2) Uani 1 1 d . . . . .
C8K C 0.8482(7) 0.4012(5) 0.9492(6) 0.078(4) Uani 1 1 d . . . . .
C9K C 0.8889(9) 0.3442(7) 0.9340(7) 0.110(6) Uani 1 1 d . . . . .
H9K H 0.9238 0.3189 0.9545 0.132 Uiso 1 1 calc R U . . .
C10K C 0.8791(11) 0.3253(7) 0.8910(8) 0.117(7) Uani 1 1 d . . . . .
H10K H 0.9035 0.2853 0.8845 0.141 Uiso 1 1 calc R U . . .
C11K C 0.8348(11) 0.3616(8) 0.8556(8) 0.128(7) Uani 1 1 d . . . . .
H11K H 0.8314 0.3484 0.8240 0.154 Uiso 1 1 calc R U . . .
C12K C 0.7948(7) 0.4196(6) 0.8695(6) 0.088(4) Uani 1 1 d . . . . .
H12K H 0.7617 0.4448 0.8477 0.105 Uiso 1 1 calc R U . . .
C13K C 0.8022(7) 0.4399(5) 0.9125(5) 0.072(3) Uani 1 1 d . . . . .
C14K C 0.7725(6) 0.5104(5) 0.9675(4) 0.055(3) Uani 1 1 d . . . . .
O1L O 0.6879(4) 0.5842(3) 0.8279(3) 0.0546(17) Uani 1 1 d . . . . .
N1L N 0.6580(5) 0.5524(4) 0.8068(4) 0.064(2) Uani 1 1 d . . . . .
C0L C 0.5928(6) 0.5396(4) 0.8393(4) 0.052(3) Uani 1 1 d . . . . .
C1L C 0.5534(6) 0.5078(4) 0.8175(5) 0.063(3) Uani 1 1 d . . . . .
C2L C 0.5710(7) 0.4837(5) 0.7704(5) 0.072(3) Uani 1 1 d . . . . .
H2L H 0.6174 0.4846 0.7443 0.086 Uiso 1 1 calc R U . . .
C3L C 0.5193(8) 0.4578(6) 0.7616(6) 0.085(4) Uani 1 1 d . . . . .
H3L H 0.5309 0.4409 0.7289 0.102 Uiso 1 1 calc R U . . .
C4L C 0.4520(8) 0.4556(6) 0.7986(6) 0.086(4) Uani 1 1 d . . . . .
H4L H 0.4178 0.4380 0.7908 0.103 Uiso 1 1 calc R U . . .
C5L C 0.4341(7) 0.4783(5) 0.8459(5) 0.071(3) Uani 1 1 d . . . . .
H5L H 0.3877 0.4765 0.8716 0.086 Uiso 1 1 calc R U . . .
C6L C 0.4857(6) 0.5052(5) 0.8568(5) 0.066(3) Uani 1 1 d . . . . .
C7L C 0.4807(6) 0.5320(4) 0.9039(5) 0.057(3) Uani 1 1 d . . . . .
N2L N 0.4277(5) 0.5390(3) 0.9482(4) 0.058(2) Uani 1 1 d . . . . .
N3L N 0.5626(4) 0.5784(3) 0.9280(3) 0.050(2) Uani 1 1 d . . . . .
C8L C 0.4405(6) 0.5665(4) 0.9855(5) 0.057(3) Uani 1 1 d . . . . .
C9L C 0.3841(6) 0.5768(5) 1.0355(5) 0.066(3) Uani 1 1 d . . . . .
H9L H 0.3389 0.5642 1.0424 0.080 Uiso 1 1 calc R U . . .
C10L C 0.3945(7) 0.6039(5) 1.0726(5) 0.067(3) Uani 1 1 d . . . . .
H10X H 0.3569 0.6100 1.1056 0.080 Uiso 1 1 calc R U . . .
C11L C 0.4612(7) 0.6235(4) 1.0630(5) 0.064(3) Uani 1 1 d . . . . .
H11X H 0.4677 0.6434 1.0892 0.076 Uiso 1 1 calc R U . . .
C12L C 0.5162(7) 0.6139(4) 1.0162(4) 0.060(3) Uani 1 1 d . . . . .
H12X H 0.5615 0.6259 1.0109 0.072 Uiso 1 1 calc R U . . .
C13L C 0.5072(6) 0.5868(4) 0.9761(4) 0.054(3) Uani 1 1 d . . . . .
C14L C 0.5493(6) 0.5526(4) 0.8932(4) 0.053(3) Uani 1 1 d . . . . .
O1N O 0.7848(4) 0.5819(3) 0.7089(3) 0.0618(18) Uani 1 1 d . . . . .
N1N N 0.8345(5) 0.5921(3) 0.6653(4) 0.054(2) Uani 1 1 d . . . . .
C0N C 0.8401(6) 0.5625(5) 0.6236(4) 0.060(3) Uani 1 1 d . . . . .
C1N C 0.8041(7) 0.5217(5) 0.6129(5) 0.066(3) Uani 1 1 d . . . . .
C2N C 0.7535(7) 0.4921(6) 0.6468(6) 0.088(4) Uani 1 1 d . . . . .
H2N H 0.7356 0.4973 0.6843 0.105 Uiso 1 1 calc R U . . .
C3N C 0.7299(8) 0.4560(8) 0.6267(6) 0.115(6) Uani 1 1 d . . . . .
H3N H 0.6970 0.4335 0.6510 0.138 Uiso 1 1 calc R U . . .
C4N C 0.7503(8) 0.4497(7) 0.5733(8) 0.111(6) Uani 1 1 d . . . . .
H4N H 0.7282 0.4254 0.5607 0.133 Uiso 1 1 calc R U . . .
C5N C 0.8033(9) 0.4781(6) 0.5351(6) 0.100(5) Uani 1 1 d . . . . .
H5N H 0.8187 0.4737 0.4974 0.120 Uiso 1 1 calc R U . . .
C6N C 0.8307(6) 0.5129(5) 0.5578(5) 0.068(3) Uani 1 1 d . . . . .
C7N C 0.8873(6) 0.5485(5) 0.5319(4) 0.067(3) Uani 1 1 d . . . . .
N2N N 0.9296(6) 0.5554(4) 0.4809(4) 0.069(3) Uani 1 1 d . . . . .
N3N N 0.9382(4) 0.6117(4) 0.5675(3) 0.049(2) Uani 1 1 d . . . . .
C8N C 0.9756(7) 0.5903(5) 0.4727(4) 0.068(3) Uani 1 1 d . . . . .
C9N C 1.0195(8) 0.5987(6) 0.4200(5) 0.086(4) Uani 1 1 d . . . . .
H9N H 1.0152 0.5798 0.3922 0.104 Uiso 1 1 calc R U . . .
C10N C 1.0691(9) 0.6341(6) 0.4078(5) 0.104(5) Uani 1 1 d . . . . .
H10N H 1.0978 0.6402 0.3713 0.125 Uiso 1 1 calc R U . . .
C11N C 1.0787(9) 0.6619(6) 0.4481(6) 0.100(5) Uani 1 1 d . . . . .
H11N H 1.1140 0.6857 0.4391 0.120 Uiso 1 1 calc R U . . .
C12N C 1.0343(8) 0.6533(5) 0.5026(4) 0.080(4) Uani 1 1 d . . . . .
H12N H 1.0402 0.6719 0.5300 0.096 Uiso 1 1 calc R U . . .
C13N C 0.9824(7) 0.6183(5) 0.5165(5) 0.063(3) Uani 1 1 d . . . . .
C14N C 0.8928(5) 0.5779(4) 0.5732(4) 0.048(2) Uani 1 1 d . . . . .
O1O O 0.9732(4) 0.7034(3) 0.6238(3) 0.0609(18) Uani 1 1 d . . . . .
N1O N 0.9561(4) 0.7595(4) 0.6048(3) 0.053(2) Uani 1 1 d . . . . .
C0O C 1.0049(6) 0.7913(5) 0.6062(4) 0.054(3) Uani 1 1 d . . . . .
C1O C 1.0714(6) 0.7786(6) 0.6283(4) 0.070(3) Uani 1 1 d . . . . .
C2O C 1.1136(7) 0.7268(8) 0.6501(4) 0.091(4) Uani 1 1 d . . . . .
H2O H 1.0994 0.6907 0.6531 0.109 Uiso 1 1 calc R U . . .
C3O C 1.1745(8) 0.7250(9) 0.6674(5) 0.105(5) Uani 1 1 d . . . . .
H3O H 1.2029 0.6884 0.6832 0.127 Uiso 1 1 calc R U . . .
C4O C 1.1947(8) 0.7764(8) 0.6618(6) 0.093(4) Uani 1 1 d . . . . .
H4O H 1.2395 0.7739 0.6727 0.111 Uiso 1 1 calc R U . . .
C5O C 1.1555(7) 0.8333(9) 0.6413(5) 0.107(6) Uani 1 1 d . . . . .
H5O H 1.1700 0.8690 0.6395 0.128 Uiso 1 1 calc R U . . .
C6O C 1.0900(7) 0.8315(7) 0.6232(4) 0.074(4) Uani 1 1 d . . . . .
C7O C 1.0355(7) 0.8788(6) 0.6007(4) 0.060(3) Uani 1 1 d . . . . .
N2O N 1.0243(6) 0.9360(6) 0.5926(4) 0.075(3) Uani 1 1 d . . . . .
N3O N 0.9259(5) 0.8808(4) 0.5655(3) 0.049(2) Uani 1 1 d . . . . .
C8O C 0.9658(7) 0.9692(5) 0.5709(5) 0.071(4) Uani 1 1 d . . . . .
C9O C 0.9507(8) 1.0319(7) 0.5602(5) 0.090(4) Uani 1 1 d . . . . .
H9O H 0.9807 1.0515 0.5706 0.108 Uiso 1 1 calc R U . . .
C10O C 0.8949(8) 1.0647(6) 0.5355(5) 0.077(4) Uani 1 1 d . . . . .
H10O H 0.8864 1.1069 0.5305 0.093 Uiso 1 1 calc R U . . .
C11O C 0.8482(7) 1.0410(5) 0.5167(4) 0.068(3) Uani 1 1 d . . . . .
H11O H 0.8115 1.0662 0.4977 0.082 Uiso 1 1 calc R U . . .
C12O C 0.8579(7) 0.9779(5) 0.5270(4) 0.072(3) Uani 1 1 d . . . . .
H12O H 0.8262 0.9602 0.5162 0.086 Uiso 1 1 calc R U . . .
C13O C 0.9153(6) 0.9420(5) 0.5535(4) 0.063(3) Uani 1 1 d . . . . .
C14O C 0.9837(6) 0.8528(5) 0.5883(4) 0.053(3) Uani 1 1 d . . . . .
O1M O 0.5885(3) 0.9300(2) 0.6958(2) 0.0415(14) Uani 0.4 1 d . . P A 1
C1M C 0.5556(15) 0.9975(11) 0.6956(12) 0.068(8) Uani 0.4 1 d . . P A 1
H1M1 H 0.5209 1.0052 0.7311 0.102 Uiso 0.4 1 calc R U P A 1
H1M2 H 0.5280 1.0135 0.6665 0.102 Uiso 0.4 1 calc R U P A 1
H1M3 H 0.5968 1.0170 0.6892 0.102 Uiso 0.4 1 calc R U P A 1
O1W O 0.5885(3) 0.9300(2) 0.6958(2) 0.0415(14) Uani 0.6 1 d . . P A 2
H1W H 0.5553 0.9685 0.6993 0.050 Uiso 0.6 1 calc R U P A 2
O2W O 0.5674(19) 1.0402(15) 0.7268(10) 0.054(9) Uani 0.2 1 d . . P B 2
Cl1 Cl 1.3844(4) 0.4062(3) 0.6912(3) 0.158(2) Uani 1 1 d . . . . .
O11 O 1.4078(17) 0.4659(9) 0.6616(8) 0.355(17) Uani 1 1 d . . . . .
O21 O 1.4464(9) 0.3531(7) 0.7081(6) 0.188(6) Uani 1 1 d . . . . .
O31 O 1.3538(11) 0.3930(10) 0.6522(11) 0.351(16) Uani 1 1 d . . . . .
O41 O 1.3284(8) 0.4166(9) 0.7415(6) 0.228(9) Uani 1 1 d . . . . .
Cl2 Cl 0.7924(7) 0.3107(6) 0.7390(5) 0.188(4) Uiso 0.65 1 d . . P . .
O12 O 0.8342(15) 0.2518(11) 0.7756(10) 0.186(9) Uiso 0.65 1 d . . P . .
O22 O 0.7129(18) 0.3375(13) 0.7795(12) 0.226(11) Uiso 0.65 1 d . . P . .
O32 O 0.7836(17) 0.3002(13) 0.6873(13) 0.229(12) Uiso 0.65 1 d . . P . .
O42 O 0.851(2) 0.3411(15) 0.7238(14) 0.269(14) Uiso 0.65 1 d . . P . .
Cl21 Cl 0.785(2) 0.2584(17) 0.7506(15) 0.179(12) Uiso 0.2 1 d . . P . .
Cl22 Cl 0.757(3) 0.229(2) 0.722(2) 0.195(17) Uiso 0.15 1 d . . P . .
O2M O 0.2725(4) 0.6345(4) 0.7589(3) 0.078(2) Uani 1 1 d . . . . .
H2M H 0.3079 0.6462 0.7632 0.118 Uiso 1 1 d R U . . .
C2M C 0.2902(7) 0.5723(5) 0.7665(6) 0.100(5) Uani 1 1 d . . . . .
H2M1 H 0.2856 0.5572 0.8055 0.150 Uiso 1 1 d R U . . .
H2M2 H 0.3423 0.5569 0.7463 0.150 Uiso 1 1 d R U . . .
H2M3 H 0.2553 0.5589 0.7528 0.150 Uiso 1 1 d R U . . .
O3M O 0.2357(8) 0.2673(9) 0.7390(5) 0.197(7) Uani 1 1 d . . . . .
H3M H 0.1941 0.2672 0.7328 0.296 Uiso 1 1 d R U . . .
C3M C 0.2236(16) 0.3247(12) 0.7531(11) 0.227(12) Uiso 1 1 d . . . . .
H3M1 H 0.2660 0.3403 0.7297 0.340 Uiso 1 1 d R U . . .
H3M2 H 0.2246 0.3215 0.7916 0.340 Uiso 1 1 d R U . . .
H3M3 H 0.1758 0.3518 0.7467 0.340 Uiso 1 1 d R U . . .
O4M O 0.4649(17) 1.1381(11) 0.7239(11) 0.137(9) Uiso 0.5 1 d D . P C 20
H4M H 0.4289 1.1673 0.7179 0.206 Uiso 0.5 1 d R U P C 20
C4M C 0.518(2) 1.1621(17) 0.7346(18) 0.25(4) Uani 0.5 1 d D . P C 20
H4M1 H 0.5506 1.1311 0.7556 0.372 Uiso 0.5 1 calc R U P C 20
H4M2 H 0.4917 1.1953 0.7558 0.372 Uiso 0.5 1 calc R U P C 20
H4M3 H 0.5495 1.1766 0.7000 0.372 Uiso 0.5 1 calc R U P C 20
O5M O 0.6095(15) 0.2980(10) 0.8168(11) 0.140(9) Uani 0.5 1 d . . P D 11
H5M H 0.5781 0.3247 0.8019 0.210 Uiso 0.5 1 calc R U P D 11
C5M C 0.620(3) 0.249(2) 0.7998(17) 0.20(2) Uani 0.5 1 d . . P D 11
H5M1 H 0.6705 0.2392 0.7759 0.297 Uiso 0.5 1 calc R U P D 11
H5M2 H 0.5817 0.2532 0.7792 0.297 Uiso 0.5 1 calc R U P D 11
H5M3 H 0.6149 0.2177 0.8310 0.297 Uiso 0.5 1 calc R U P D 11
O6M O 0.3873(12) 1.2178(12) 0.6906(10) 0.144(11) Uani 0.5 1 d . . P E 11
H6M H 0.3412 1.2323 0.7056 0.216 Uiso 0.5 1 d R U P E 11
C6M C 0.4159(17) 1.2490(13) 0.6320(15) 0.125(14) Uani 0.5 1 d . . P E 11
H6M1 H 0.4164 1.2902 0.6326 0.187 Uiso 0.5 1 d R U P E 11
H6M2 H 0.3811 1.2491 0.6101 0.187 Uiso 0.5 1 d R U P E 11
H6M3 H 0.4671 1.2267 0.6158 0.187 Uiso 0.5 1 d R U P E 11
O7M O 0.0469(10) 0.8133(8) 0.9827(7) 0.197(7) Uani 1 1 d . . . F 11
H7M H 0.0862 0.7928 0.9931 0.296 Uiso 1 1 calc R U . F 11
C7M C 0.0271(15) 0.8682(11) 0.9983(11) 0.216(14) Uani 1 1 d . . . F 11
H7M1 H 0.0198 0.8620 1.0382 0.324 Uiso 1 1 d R U . F 11
H7M2 H -0.0206 0.8915 0.9885 0.324 Uiso 1 1 d R U . F 11
H7M3 H 0.0664 0.8899 0.9816 0.324 Uiso 1 1 d R U . F 11
O8M O 0.1302(7) -0.0184(6) 0.6288(6) 0.147(5) Uani 1 1 d . . . G 11
H8M H 0.0980 -0.0318 0.6219 0.220 Uiso 1 1 calc R U . G 11
C8M C 0.1007(10) 0.0423(8) 0.6331(7) 0.127(6) Uani 1 1 d . . . G 11
H8M1 H 0.0493 0.0485 0.6564 0.191 Uiso 1 1 d R U . G 11
H8M2 H 0.0992 0.0649 0.5967 0.191 Uiso 1 1 d R U . G 11
H8M3 H 0.1326 0.0561 0.6494 0.191 Uiso 1 1 d R U . G 11
O9M O 0.1600(19) 0.7832(15) 0.4917(13) 0.122(10) Uiso 0.35 1 d . . P H 1
H9M H 0.1767 0.7634 0.4653 0.184 Uiso 0.35 1 calc R U P H 1
C9M C 0.223(3) 0.7747(19) 0.5213(17) 0.107(13) Uiso 0.35 1 d . . P H 1
H9M1 H 0.2493 0.8066 0.5064 0.160 Uiso 0.35 1 calc R U P H 1
H9M2 H 0.2590 0.7359 0.5161 0.160 Uiso 0.35 1 calc R U P H 1
H9M3 H 0.2008 0.7761 0.5605 0.160 Uiso 0.35 1 calc R U P H 1
O10M O 0.2013(14) 0.7413(11) 0.5014(11) 0.115(8) Uiso 0.4 1 d D . P I 2
H10M H 0.2142 0.7476 0.5280 0.172 Uiso 0.4 1 calc R U P I 2
C10M C 0.2581(14) 0.6971(10) 0.4752(10) 0.058(7) Uiso 0.4 1 d D . P I 2
H10L H 0.3056 0.6930 0.4854 0.087 Uiso 0.4 1 calc R U P I 2
H10Q H 0.2650 0.7080 0.4355 0.087 Uiso 0.4 1 calc R U P I 2
H10R H 0.2437 0.6590 0.4863 0.087 Uiso 0.4 1 calc R U P I 2
O3W O 0.0963(10) 0.2655(7) 0.7195(5) 0.149(6) Uani 0.8 1 d . . P J 3
O4W O 0.0574(12) 0.9074(11) 1.1938(9) 0.146(10) Uani 0.55 1 d . . P K 3
O5W O 0.015(3) 0.8996(19) 1.1933(18) 0.101(14) Uiso 0.25 1 d . . P K 3
O6W O 0.009(3) 0.929(2) 1.226(2) 0.100(14) Uiso 0.2 1 d . . P K 3
O7W O 0.1662(14) 0.9724(9) 0.7626(9) 0.123(7) Uiso 0.5 1 d . . P L 3
O8W O 0.0911(14) 0.9716(10) 0.7902(9) 0.128(7) Uiso 0.5 1 d . . P L 3
O11M O 0.571(2) 0.5461(17) 0.5209(16) 0.179(15) Uiso 0.4 1 d . . P M 4
H11M H 0.5450 0.5563 0.4975 0.269 Uiso 0.4 1 calc R U P M 4
C11M C 0.544(3) 0.4876(19) 0.5681(17) 0.135(15) Uiso 0.4 1 d . . P M 4
H11L H 0.5624 0.4839 0.6011 0.203 Uiso 0.4 1 calc R U P M 4
H11Q H 0.5655 0.4504 0.5521 0.203 Uiso 0.4 1 calc R U P M 4
H11R H 0.4886 0.4957 0.5779 0.203 Uiso 0.4 1 calc R U P M 4
O12M O 0.639(3) 0.534(2) 0.4517(16) 0.095(13) Uiso 0.2 1 d D . P N 5
H12M H 0.6548 0.5015 0.4396 0.143 Uiso 0.2 1 calc R U P N 5
C12M C 0.614(4) 0.525(3) 0.5088(16) 0.066(16) Uiso 0.2 1 d D . P N 5
H12L H 0.6473 0.5356 0.5257 0.099 Uiso 0.2 1 calc R U P N 5
H12Q H 0.6144 0.4823 0.5208 0.099 Uiso 0.2 1 calc R U P N 5
H12R H 0.5619 0.5491 0.5199 0.099 Uiso 0.2 1 calc R U P N 5
C13M C 0.747(4) 0.429(3) 0.423(4) 0.12(3) Uiso 0.2 1 d D . P O 6
H13A H 0.7973 0.4258 0.4283 0.182 Uiso 0.2 1 calc R U P O 6
H13B H 0.7503 0.4264 0.3851 0.182 Uiso 0.2 1 calc R U P O 6
H13C H 0.7261 0.3970 0.4473 0.182 Uiso 0.2 1 calc R U P O 6
O13M O 0.699(2) 0.4844(18) 0.4365(16) 0.080(11) Uiso 0.2 1 d D . P O 6
H13M H 0.6797 0.4814 0.4703 0.119 Uiso 0.2 1 calc R U P O 6
O14M O 0.4065(17) 0.6604(13) 0.5075(12) 0.133(10) Uiso 0.4 1 d . . P P 7
H14M H 0.4018 0.6975 0.5022 0.200 Uiso 0.4 1 calc R U P P 7
C14M C 0.375(2) 0.6420(17) 0.5641(15) 0.114(12) Uiso 0.4 1 d . . P P 7
H14A H 0.4029 0.6512 0.5869 0.171 Uiso 0.4 1 calc R U P P 7
H14B H 0.3799 0.5989 0.5701 0.171 Uiso 0.4 1 calc R U P P 7
H14C H 0.3217 0.6632 0.5739 0.171 Uiso 0.4 1 calc R U P P 7
O15M O 0.512(3) 0.646(2) 0.4551(17) 0.100(14) Uiso 0.2 1 d D . P Q 8
H15M H 0.5292 0.6228 0.4314 0.150 Uiso 0.2 1 calc R U P Q 8
C15M C 0.481(4) 0.616(3) 0.5051(19) 0.082(18) Uiso 0.2 1 d D . P Q 8
H15A H 0.4887 0.6312 0.5351 0.122 Uiso 0.2 1 calc R U P Q 8
H15B H 0.5060 0.5730 0.5065 0.122 Uiso 0.2 1 calc R U P Q 8
H15C H 0.4267 0.6218 0.5085 0.122 Uiso 0.2 1 calc R U P Q 8
O16M O 0.0734(18) 0.9540(13) 0.9139(12) 0.139(10) Uiso 0.4 1 d D . P R 9
H16M H 0.1100 0.9280 0.9236 0.209 Uiso 0.4 1 calc R U P R 9
C16M C 0.058(3) 1.0039(16) 0.9392(17) 0.148(17) Uiso 0.4 1 d D . P R 9
H16A H 0.0152 1.0036 0.9706 0.222 Uiso 0.4 1 calc R U P R 9
H16B H 0.0467 1.0400 0.9132 0.222 Uiso 0.4 1 calc R U P R 9
H16C H 0.1030 1.0034 0.9518 0.222 Uiso 0.4 1 calc R U P R 9
O9W O 0.782(4) 0.406(3) 0.424(3) 0.10(2) Uiso 0.15 1 d . . P S 10
O10W O 0.8859(19) 0.7893(16) 1.1074(13) 0.144(11) Uiso 0.4 1 d . . P T 10
O11W O 0.897(3) 0.740(3) 1.120(2) 0.20(2) Uiso 0.3 1 d . . P T 10
O12W O 0.952(3) 0.8309(19) 1.1133(18) 0.159(15) Uiso 0.3 1 d . . P U 10
O13W O 0.308(2) 0.6955(14) 0.3709(12) 0.139(10) Uiso 0.4 1 d . . P V 10
O14W O 0.378(3) 0.6723(17) 0.3635(15) 0.129(12) Uiso 0.3 1 d . . P V 10
O15W O 0.225(3) 0.7341(19) 0.4017(18) 0.155(15) Uiso 0.3 1 d . . P V 10
O16W O 0.098(3) 0.1455(18) 0.7802(17) 0.151(15) Uiso 0.3 1 d . . P W 10
O17W O 0.528(2) 1.1358(19) 0.729(2) 0.110(14) Uiso 0.3 1 d . . P X 10


_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 O1A 2.075(5) . ?
Co1 O1C 2.100(5) . ?
Co1 O1B 2.107(5) . ?
Co1 O1 2.125(5) . ?
Co1 O1D 2.172(6) . ?
Co1 O1E 2.179(7) . ?
Co2 O3 2.051(5) . ?
Co2 O1 2.057(5) . ?
Co2 O1G 2.103(6) . ?
Co2 N1C 2.118(6) . ?
Co2 O2 2.121(6) . ?
Co2 O1F 2.226(5) . ?
Co3 O1H 1.997(6) . ?
Co3 N1E 2.031(9) . ?
Co3 N1O 2.081(8) . ?
Co3 O1A 2.178(6) . ?
Co3 N3O 2.218(7) . ?
Co3 N3E 2.279(9) . ?
Co4 O1M 1.943(6) . ?
Co4 N1H 2.114(7) . ?
Co4 N1A 2.128(7) . ?
Co4 O1B 2.187(5) . ?
Co4 N3H 2.301(7) . ?
Co4 N3A 2.377(7) . ?
Co5 O1M 1.942(6) . ?
Co5 O1 2.035(5) . ?
Co5 O2 2.045(5) . ?
Co5 O1I 2.127(7) . ?
Co5 N1B 2.144(6) . ?
Co6 O2 2.021(5) . ?
Co6 N1I 2.041(9) . ?
Co6 N1J 2.119(7) . ?
Co6 N3J 2.188(8) . ?
Co6 O1F 2.252(6) . ?
Co6 N3I 2.424(9) . ?
Co7 O1K 1.925(6) . ?
Co7 O1J 2.008(7) . ?
Co7 O1F 2.024(6) . ?
Co7 N3F 2.084(7) . ?
Co7 O3 2.095(5) . ?
Co8 O1L 1.963(7) . ?
Co8 O3 1.980(5) . ?
Co8 N1K 2.056(8) . ?
Co8 N3L 2.078(8) . ?
Co9 O1N 1.997(7) . ?
Co9 O1G 2.091(5) . ?
Co9 O1C 2.124(6) . ?
Co9 O1L 2.138(7) . ?
Co9 N3G 2.219(7) . ?
Co9 O1D 2.239(5) . ?
Co10 O1O 1.983(7) . ?
Co10 N1N 2.067(8) . ?
Co10 O1D 2.071(5) . ?
Co10 N3D 2.192(7) . ?
Co10 N3N 2.294(7) . ?
Co10 O1E 2.324(8) . ?
O1 H1 0.8600 . ?
O2 H2 0.8600 . ?
O3 H3 0.8600 . ?
O1A N1A 1.363(9) . ?
N1A C0A 1.292(10) . ?
C0A C14A 1.450(12) . ?
C0A C1A 1.470(11) . ?
C1A C2A 1.383(13) . ?
C1A C6A 1.436(12) . ?
C2A C3A 1.387(12) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.381(14) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.403(15) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.408(12) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.470(13) . ?
C7A N2A 1.298(12) . ?
C7A C14A 1.454(12) . ?
N2A C8A 1.384(12) . ?
N3A C14A 1.293(11) . ?
N3A C13A 1.377(12) . ?
C8A C9A 1.412(14) . ?
C8A C13A 1.436(12) . ?
C9A C10A 1.353(15) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.407(15) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.363(14) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.410(13) . ?
C12A H12A 0.9500 . ?
O1B N1B 1.369(8) . ?
N1B C0B 1.305(9) . ?
C0B C1B 1.464(11) . ?
C0B C14B 1.475(11) . ?
C1B C2B 1.381(11) . ?
C1B C6B 1.408(12) . ?
C2B C3B 1.395(11) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.379(13) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.386(14) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.405(12) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.460(12) . ?
C7B N2B 1.307(11) . ?
C7B C14B 1.441(10) . ?
N2B C8B 1.393(12) . ?
N3B C14B 1.309(10) . ?
N3B C13B 1.382(11) . ?
C8B C9B 1.378(14) . ?
C8B C13B 1.431(12) . ?
C9B C10B 1.342(14) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.380(14) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.396(13) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.395(12) . ?
C12B H12B 0.9500 . ?
O1C N1C 1.364(8) . ?
N1C C0C 1.287(10) . ?
C0C C1C 1.479(11) . ?
C0C C14C 1.490(12) . ?
C1C C2C 1.399(12) . ?
C1C C6C 1.416(12) . ?
C2C C3C 1.382(12) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.384(14) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.356(13) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.386(12) . ?
C5C H5C 0.9500 . ?
C6C C7C 1.451(12) . ?
C7C N2C 1.330(11) . ?
C7C C14C 1.419(11) . ?
N2C C8C 1.386(11) . ?
N3C C14C 1.319(10) . ?
N3C C13C 1.369(10) . ?
C8C C9C 1.387(13) . ?
C8C C13C 1.431(12) . ?
C9C C10C 1.371(13) . ?
C9C H9C 0.9500 . ?
C10C C11C 1.421(12) . ?
C10C H10C 0.9500 . ?
C11C C12C 1.337(12) . ?
C11C H11C 0.9500 . ?
C12C C13C 1.430(11) . ?
C12C H12C 0.9500 . ?
O1D N1D 1.394(8) . ?
N1D C0D 1.289(10) . ?
C0D C1D 1.461(11) . ?
C0D C14D 1.476(11) . ?
C1D C2D 1.388(12) . ?
C1D C6D 1.391(11) . ?
C2D C3D 1.388(12) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.387(13) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.381(13) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.386(11) . ?
C5D H5D 0.9500 . ?
C6D C7D 1.459(12) . ?
C7D N2D 1.315(11) . ?
C7D C14D 1.454(11) . ?
N2D C8D 1.363(11) . ?
N3D C14D 1.324(10) . ?
N3D C13D 1.395(11) . ?
C8D C9D 1.398(13) . ?
C8D C13D 1.431(12) . ?
C9D C10D 1.338(13) . ?
C9D H9D 0.9500 . ?
C10D C11D 1.378(14) . ?
C10D H10D 0.9500 . ?
C11D C12D 1.382(12) . ?
C11D H11D 0.9500 . ?
C12D C13D 1.399(12) . ?
C12D H12D 0.9500 . ?
O1E N1E 1.210(11) . ?
N1E C0E 1.442(14) . ?
C0E C1E 1.405(14) . ?
C0E C14E 1.485(16) . ?
C1E C2E 1.351(15) . ?
C1E C6E 1.393(14) . ?
C2E C3E 1.365(16) . ?
C3E C4E 1.391(16) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.407(16) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.426(14) . ?
C5E H5E 0.9500 . ?
C6E C7E 1.461(14) . ?
C7E N2E 1.288(12) . ?
C7E C14E 1.431(13) . ?
N2E C8E 1.350(15) . ?
N3E C14E 1.297(13) . ?
N3E C13E 1.382(14) . ?
C8E C13E 1.384(16) . ?
C8E C9E 1.416(19) . ?
C9E C10E 1.34(2) . ?
C9E H9E 0.9500 . ?
C10E C11E 1.41(2) . ?
C10E H10E 0.9500 . ?
C11E C12E 1.381(19) . ?
C11E H11E 0.9500 . ?
C12E C13E 1.397(16) . ?
C12E H12E 0.9500 . ?
O1F N1F 1.403(9) . ?
N1F C0F 1.298(10) . ?
C0F C14F 1.462(12) . ?
C0F C1F 1.496(12) . ?
C1F C2F 1.363(13) . ?
C1F C6F 1.418(12) . ?
C2F C3F 1.414(13) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.370(15) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.365(16) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.414(14) . ?
C5F H5F 0.9500 . ?
C6F C7F 1.472(15) . ?
C7F N2F 1.305(12) . ?
C7F C14F 1.451(12) . ?
N2F C8F 1.354(13) . ?
N3F C14F 1.318(12) . ?
N3F C13F 1.384(11) . ?
C8F C9F 1.401(14) . ?
C8F C13F 1.410(13) . ?
C9F C10F 1.368(17) . ?
C9F H9F 0.9500 . ?
C10F C11F 1.415(16) . ?
C10F H10F 0.9500 . ?
C11F C12F 1.341(14) . ?
C11F H11F 0.9500 . ?
C12F C13F 1.396(14) . ?
C12F H12F 0.9500 . ?
O1G N1G 1.388(8) . ?
N1G C0G 1.276(11) . ?
C0G C1G 1.484(12) . ?
C0G C14G 1.498(12) . ?
C1G C2G 1.360(13) . ?
C1G C6G 1.419(13) . ?
C2G C3G 1.400(13) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.386(16) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.370(14) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.384(13) . ?
C5G H5G 0.9500 . ?
C6G C7G 1.451(14) . ?
C7G N2G 1.313(12) . ?
C7G C14G 1.461(12) . ?
N2G C8G 1.361(13) . ?
N3G C14G 1.301(11) . ?
N3G C13G 1.403(11) . ?
C8G C9G 1.406(14) . ?
C8G C13G 1.431(14) . ?
C9G C10G 1.411(17) . ?
C9G H9G 0.9500 . ?
C10G C11G 1.352(17) . ?
C10G H10G 0.9500 . ?
C11G C12G 1.403(14) . ?
C11G H11G 0.9500 . ?
C12G C13G 1.416(14) . ?
C12G H12G 0.9500 . ?
O1H N1H 1.321(9) . ?
N1H C0H 1.293(10) . ?
C0H C14H 1.457(12) . ?
C0H C1H 1.482(12) . ?
C1H C2H 1.369(13) . ?
C1H C6H 1.430(13) . ?
C2H C3H 1.390(13) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.397(15) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.374(16) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.400(13) . ?
C5H H5H 0.9500 . ?
C6H C7H 1.480(14) . ?
C7H N2H 1.319(12) . ?
C7H C14H 1.433(12) . ?
N2H C8H 1.369(12) . ?
N3H C14H 1.289(11) . ?
N3H C13H 1.374(11) . ?
C8H C9H 1.400(13) . ?
C8H C13H 1.433(12) . ?
C9H C10H 1.344(14) . ?
C9H H9H 0.9500 . ?
C10H C11H 1.419(15) . ?
C10H H10H 0.9500 . ?
C11H C12H 1.386(14) . ?
C11H H11H 0.9500 . ?
C12H C13H 1.388(14) . ?
C12H H12H 0.9500 . ?
O1I N1I 1.249(10) . ?
N1I C0I 1.372(13) . ?
C0I C14I 1.409(16) . ?
C0I C1I 1.418(17) . ?
C1I C2I 1.348(17) . ?
C1I C6I 1.437(15) . ?
C2I C3I 1.420(17) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.433(18) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.39(2) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.408(18) . ?
C5I H5I 0.9500 . ?
C6I C7I 1.456(18) . ?
C7I N2I 1.280(15) . ?
C7I C14I 1.437(15) . ?
N2I C8I 1.371(17) . ?
N3I C14I 1.290(15) . ?
N3I C13I 1.391(16) . ?
C8I C9I 1.372(18) . ?
C8I C13I 1.459(17) . ?
C9I C10I 1.31(2) . ?
C9I H9I 0.9500 . ?
C10I C11I 1.437(19) . ?
C10I H10I 0.9500 . ?
C11I C12I 1.342(17) . ?
C11I H11I 0.9500 . ?
C12I C13I 1.378(18) . ?
C12I H12I 0.9500 . ?
O1J N1J 1.324(9) . ?
N1J C0J 1.304(11) . ?
C0J C14J 1.452(12) . ?
C0J C1J 1.456(13) . ?
C1J C2J 1.381(13) . ?
C1J C6J 1.416(13) . ?
C2J C3J 1.420(14) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.377(15) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.383(15) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.393(14) . ?
C5J H5J 0.9500 . ?
C6J C7J 1.493(14) . ?
C7J N2J 1.320(13) . ?
C7J C14J 1.444(13) . ?
N2J C8J 1.368(13) . ?
N3J C14J 1.278(11) . ?
N3J C13J 1.402(11) . ?
C8J C9J 1.401(15) . ?
C8J C13J 1.408(14) . ?
C9J C10J 1.343(17) . ?
C9J H9J 0.9500 . ?
C10J C11J 1.394(18) . ?
C10J H10J 0.9500 . ?
C11J C12J 1.351(15) . ?
C11J H11J 0.9500 . ?
C12J C13J 1.397(14) . ?
C12J H12J 0.9500 . ?
O1K N1K 1.369(9) . ?
N1K C0K 1.298(12) . ?
C0K C14K 1.439(14) . ?
C0K C1K 1.495(13) . ?
C1K C2K 1.372(15) . ?
C1K C6K 1.402(14) . ?
C2K C3K 1.407(15) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.345(18) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.394(17) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.387(15) . ?
C5K H5K 0.9500 . ?
C6K C7K 1.437(16) . ?
C7K N2K 1.304(14) . ?
C7K C14K 1.462(14) . ?
N2K C8K 1.363(16) . ?
N3K C14K 1.311(13) . ?
N3K C13K 1.362(14) . ?
C8K C9K 1.417(18) . ?
C8K C13K 1.455(18) . ?
C9K C10K 1.35(2) . ?
C9K H9K 0.9500 . ?
C10K C11K 1.40(2) . ?
C10K H10K 0.9500 . ?
C11K C12K 1.424(19) . ?
C11K H11K 0.9500 . ?
C12K C13K 1.348(17) . ?
C12K H12K 0.9500 . ?
O1L N1L 1.333(10) . ?
N1L C0L 1.364(13) . ?
C0L C14L 1.445(14) . ?
C0L C1L 1.475(14) . ?
C1L C2L 1.360(15) . ?
C1L C6L 1.405(15) . ?
C2L C3L 1.388(15) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.371(17) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.348(16) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.424(15) . ?
C5L H5L 0.9500 . ?
C6L C7L 1.448(15) . ?
C7L N2L 1.295(13) . ?
C7L C14L 1.458(14) . ?
N2L C8L 1.372(13) . ?
N3L C14L 1.297(12) . ?
N3L C13L 1.391(12) . ?
C8L C13L 1.425(14) . ?
C8L C9L 1.438(15) . ?
C9L C10L 1.337(15) . ?
C9L H9L 0.9500 . ?
C10L C11L 1.415(15) . ?
C10L H10X 0.9500 . ?
C11L C12L 1.365(15) . ?
C11L H11X 0.9500 . ?
C12L C13L 1.392(14) . ?
C12L H12X 0.9500 . ?
O1N N1N 1.280(10) . ?
N1N C0N 1.361(12) . ?
C0N C1N 1.441(15) . ?
C0N C14N 1.453(14) . ?
C1N C2N 1.357(16) . ?
C1N C6N 1.403(15) . ?
C2N C3N 1.315(16) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.35(2) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.41(2) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.380(15) . ?
C5N H5N 0.9500 . ?
C6N C7N 1.486(16) . ?
C7N N2N 1.338(14) . ?
C7N C14N 1.426(13) . ?
N2N C8N 1.318(15) . ?
N3N C14N 1.298(12) . ?
N3N C13N 1.350(13) . ?
C8N C9N 1.388(16) . ?
C8N C13N 1.470(15) . ?
C9N C10N 1.37(2) . ?
C9N H9N 0.9500 . ?
C10N C11N 1.411(19) . ?
C10N H10N 0.9500 . ?
C11N C12N 1.428(17) . ?
C11N H11N 0.9500 . ?
C12N C13N 1.395(16) . ?
C12N H12N 0.9500 . ?
O1O N1O 1.293(10) . ?
N1O C0O 1.364(12) . ?
C0O C14O 1.406(14) . ?
C0O C1O 1.453(14) . ?
C1O C2O 1.359(17) . ?
C1O C6O 1.368(16) . ?
C2O C3O 1.336(16) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.348(19) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.41(2) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.457(15) . ?
C5O H5O 0.9500 . ?
C6O C7O 1.430(17) . ?
C7O N2O 1.286(14) . ?
C7O C14O 1.434(13) . ?
N2O C8O 1.345(16) . ?
N3O C14O 1.325(12) . ?
N3O C13O 1.382(13) . ?
C8O C9O 1.409(18) . ?
C8O C13O 1.501(16) . ?
C9O C10O 1.346(18) . ?
C9O H9O 0.9500 . ?
C10O C11O 1.405(16) . ?
C10O H10O 0.9500 . ?
C11O C12O 1.426(15) . ?
C11O H11O 0.9500 . ?
C12O C13O 1.415(15) . ?
C12O H12O 0.9500 . ?
O1M C1M 1.54(2) . ?
C1M H1M1 0.9800 . ?
C1M H1M2 0.9800 . ?
C1M H1M3 0.9800 . ?
Cl1 O31 1.41(3) . ?
Cl1 O41 1.442(14) . ?
Cl1 O21 1.531(15) . ?
Cl1 O11 1.581(17) . ?
Cl2 Cl21 1.25(3) . ?
Cl2 O42 1.42(3) . ?
Cl2 O32 1.46(3) . ?
Cl2 O22 1.61(3) . ?
Cl2 O12 1.64(3) . ?
Cl2 Cl22 2.37(5) . ?
O12 Cl21 1.24(4) . ?
O22 Cl21 2.11(5) . ?
O32 Cl21 1.72(4) . ?
O32 Cl22 1.87(5) . ?
Cl21 Cl22 1.39(5) . ?
O2M C2M 1.394(13) . ?
O2M H2M 0.8403 . ?
C2M H2M1 0.9800 . ?
C2M H2M2 0.9800 . ?
C2M H2M3 0.9799 . ?
O3M C3M 1.42(3) . ?
O3M H3M 0.8495 . ?
C3M H3M1 0.9800 . ?
C3M H3M2 0.9800 . ?
C3M H3M3 0.9799 . ?
O4M C4M 1.407(10) . ?
O4M H4M 0.8401 . ?
C4M H4M1 0.9800 . ?
C4M H4M2 0.9800 . ?
C4M H4M3 0.9800 . ?
O5M C5M 1.26(4) . ?
O5M H5M 0.8400 . ?
C5M H5M1 0.9800 . ?
C5M H5M2 0.9800 . ?
C5M H5M3 0.9800 . ?
O6M C6M 1.56(4) . ?
O6M H6M 0.8503 . ?
C6M H6M1 0.9802 . ?
C6M H6M2 0.9800 . ?
C6M H6M3 0.9800 . ?
O7M C7M 1.36(2) . ?
O7M H7M 0.8400 . ?
C7M H7M1 0.9800 . ?
C7M H7M2 0.9800 . ?
C7M H7M3 0.9800 . ?
O8M C8M 1.396(18) . ?
O8M H8M 0.8400 . ?
C8M H8M1 0.9799 . ?
C8M H8M2 0.9802 . ?
C8M H8M3 0.9800 . ?
O9M C9M 1.53(5) . ?
O9M H9M 0.8400 . ?
C9M H9M1 0.9800 . ?
C9M H9M2 0.9800 . ?
C9M H9M3 0.9800 . ?
O10M C10M 1.394(10) . ?
O10M H10M 0.8400 . ?
C10M H10L 0.9800 . ?
C10M H10Q 0.9800 . ?
C10M H10R 0.9800 . ?
O4W O5W 0.87(4) . ?
O4W O6W 1.13(5) . ?
O5W O6W 1.16(6) . ?
O7W O8W 1.41(3) . ?
O11M C11M 1.74(5) . ?
O11M H11M 0.8400 . ?
C11M H11L 0.9800 . ?
C11M H11Q 0.9800 . ?
C11M H11R 0.9800 . ?
O12M C12M 1.402(10) . ?
O12M H12M 0.8400 . ?
C12M H12L 0.9800 . ?
C12M H12Q 0.9800 . ?
C12M H12R 0.9800 . ?
C13M O13M 1.399(10) . ?
C13M H13A 0.9800 . ?
C13M H13B 0.9800 . ?
C13M H13C 0.9800 . ?
O13M H13M 0.8400 . ?
O14M C14M 1.44(4) . ?
O14M H14M 0.8400 . ?
C14M H14A 0.9800 . ?
C14M H14B 0.9800 . ?
C14M H14C 0.9800 . ?
O15M C15M 1.396(10) . ?
O15M H15M 0.8400 . ?
C15M H15A 0.9800 . ?
C15M H15B 0.9800 . ?
C15M H15C 0.9800 . ?
O16M C16M 1.385(10) . ?
O16M H16M 0.8400 . ?
C16M H16A 0.9800 . ?
C16M H16B 0.9800 . ?
C16M H16C 0.9800 . ?
O10W O11W 1.12(5) . ?
O13W O14W 1.27(4) . ?
O13W O15W 1.65(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1A Co1 O1C 171.6(2) . . ?
O1A Co1 O1B 90.0(2) . . ?
O1C Co1 O1B 97.9(2) . . ?
O1A Co1 O1 92.2(2) . . ?
O1C Co1 O1 85.3(2) . . ?
O1B Co1 O1 87.83(19) . . ?
O1A Co1 O1D 92.7(2) . . ?
O1C Co1 O1D 79.9(2) . . ?
O1B Co1 O1D 171.26(19) . . ?
O1 Co1 O1D 100.36(19) . . ?
O1A Co1 O1E 88.5(3) . . ?
O1C Co1 O1E 93.9(3) . . ?
O1B Co1 O1E 93.3(2) . . ?
O1 Co1 O1E 178.6(3) . . ?
O1D Co1 O1E 78.5(2) . . ?
O3 Co2 O1 172.4(2) . . ?
O3 Co2 O1G 79.9(2) . . ?
O1 Co2 O1G 96.5(2) . . ?
O3 Co2 N1C 96.8(2) . . ?
O1 Co2 N1C 89.5(2) . . ?
O1G Co2 N1C 85.7(2) . . ?
O3 Co2 O2 98.6(2) . . ?
O1 Co2 O2 84.6(2) . . ?
O1G Co2 O2 176.4(2) . . ?
N1C Co2 O2 97.7(2) . . ?
O3 Co2 O1F 78.4(2) . . ?
O1 Co2 O1F 95.6(2) . . ?
O1G Co2 O1F 98.1(2) . . ?
N1C Co2 O1F 173.2(2) . . ?
O2 Co2 O1F 78.5(2) . . ?
O1H Co3 N1E 93.1(4) . . ?
O1H Co3 N1O 170.2(3) . . ?
N1E Co3 N1O 93.9(4) . . ?
O1H Co3 O1A 102.5(2) . . ?
N1E Co3 O1A 86.7(4) . . ?
N1O Co3 O1A 84.7(3) . . ?
O1H Co3 N3O 92.2(3) . . ?
N1E Co3 N3O 174.1(4) . . ?
N1O Co3 N3O 80.5(3) . . ?
O1A Co3 N3O 94.6(2) . . ?
O1H Co3 N3E 79.2(3) . . ?
N1E Co3 N3E 80.0(4) . . ?
N1O Co3 N3E 95.3(3) . . ?
O1A Co3 N3E 166.7(3) . . ?
N3O Co3 N3E 98.5(3) . . ?
O1M Co4 N1H 169.6(3) . . ?
O1M Co4 N1A 100.8(2) . . ?
N1H Co4 N1A 89.5(3) . . ?
O1M Co4 O1B 88.8(2) . . ?
N1H Co4 O1B 93.0(2) . . ?
N1A Co4 O1B 83.8(2) . . ?
O1M Co4 N3H 90.9(3) . . ?
N1H Co4 N3H 78.8(3) . . ?
N1A Co4 N3H 167.7(3) . . ?
O1B Co4 N3H 93.0(2) . . ?
O1M Co4 N3A 84.4(2) . . ?
N1H Co4 N3A 97.7(3) . . ?
N1A Co4 N3A 75.9(3) . . ?
O1B Co4 N3A 156.9(2) . . ?
N3H Co4 N3A 109.1(3) . . ?
O1M Co5 O1 125.1(2) . . ?
O1M Co5 O2 147.8(2) . . ?
O1 Co5 O2 87.2(2) . . ?
O1M Co5 O1I 81.3(3) . . ?
O1 Co5 O1I 99.3(2) . . ?
O2 Co5 O1I 94.6(3) . . ?
O1M Co5 N1B 82.1(2) . . ?
O1 Co5 N1B 88.0(2) . . ?
O2 Co5 N1B 100.9(2) . . ?
O1I Co5 N1B 163.2(3) . . ?
O2 Co6 N1I 93.9(3) . . ?
O2 Co6 N1J 102.9(2) . . ?
N1I Co6 N1J 162.7(3) . . ?
O2 Co6 N3J 96.4(2) . . ?
N1I Co6 N3J 102.4(3) . . ?
N1J Co6 N3J 80.3(3) . . ?
O2 Co6 O1F 79.9(2) . . ?
N1I Co6 O1F 87.5(3) . . ?
N1J Co6 O1F 91.1(3) . . ?
N3J Co6 O1F 169.7(2) . . ?
O2 Co6 N3I 167.0(3) . . ?
N1I Co6 N3I 76.8(4) . . ?
N1J Co6 N3I 85.9(3) . . ?
N3J Co6 N3I 94.5(3) . . ?
O1F Co6 N3I 90.5(2) . . ?
O1K Co7 O1J 119.5(3) . . ?
O1K Co7 O1F 133.8(3) . . ?
O1J Co7 O1F 106.4(3) . . ?
O1K Co7 N3F 86.8(3) . . ?
O1J Co7 N3F 98.9(3) . . ?
O1F Co7 N3F 91.1(3) . . ?
O1K Co7 O3 93.9(2) . . ?
O1J Co7 O3 88.4(2) . . ?
O1F Co7 O3 82.1(2) . . ?
N3F Co7 O3 171.3(3) . . ?
O1L Co8 O3 117.8(2) . . ?
O1L Co8 N1K 138.5(3) . . ?
O3 Co8 N1K 96.3(3) . . ?
O1L Co8 N3L 95.4(3) . . ?
O3 Co8 N3L 94.6(3) . . ?
N1K Co8 N3L 105.4(3) . . ?
O1N Co9 O1G 170.0(3) . . ?
O1N Co9 O1C 85.2(3) . . ?
O1G Co9 O1C 86.9(2) . . ?
O1N Co9 O1L 97.1(3) . . ?
O1G Co9 O1L 77.3(2) . . ?
O1C Co9 O1L 93.1(2) . . ?
O1N Co9 N3G 101.8(3) . . ?
O1G Co9 N3G 86.6(2) . . ?
O1C Co9 N3G 171.8(2) . . ?
O1L Co9 N3G 90.3(3) . . ?
O1N Co9 O1D 91.7(3) . . ?
O1G Co9 O1D 92.6(2) . . ?
O1C Co9 O1D 77.9(2) . . ?
O1L Co9 O1D 166.9(2) . . ?
N3G Co9 O1D 97.4(2) . . ?
O1O Co10 N1N 172.0(3) . . ?
O1O Co10 O1D 98.1(3) . . ?
N1N Co10 O1D 89.2(3) . . ?
O1O Co10 N3D 78.2(3) . . ?
N1N Co10 N3D 99.1(3) . . ?
O1D Co10 N3D 87.0(2) . . ?
O1O Co10 N3N 94.6(3) . . ?
N1N Co10 N3N 78.8(3) . . ?
O1D Co10 N3N 163.7(3) . . ?
N3D Co10 N3N 105.6(3) . . ?
O1O Co10 O1E 104.9(3) . . ?
N1N Co10 O1E 79.8(3) . . ?
O1D Co10 O1E 77.3(2) . . ?
N3D Co10 O1E 164.3(3) . . ?
N3N Co10 O1E 89.6(3) . . ?
Co5 O1 Co2 94.7(2) . . ?
Co5 O1 Co1 111.2(2) . . ?
Co2 O1 Co1 114.6(2) . . ?
Co5 O1 H1 111.7 . . ?
Co2 O1 H1 111.7 . . ?
Co1 O1 H1 111.7 . . ?
Co6 O2 Co5 110.8(2) . . ?
Co6 O2 Co2 105.6(2) . . ?
Co5 O2 Co2 92.5(2) . . ?
Co6 O2 H2 115.2 . . ?
Co5 O2 H2 115.2 . . ?
Co2 O2 H2 115.2 . . ?
Co8 O3 Co2 107.3(3) . . ?
Co8 O3 Co7 109.5(2) . . ?
Co2 O3 Co7 100.6(2) . . ?
Co8 O3 H3 112.9 . . ?
Co2 O3 H3 112.9 . . ?
Co7 O3 H3 112.9 . . ?
N1A O1A Co1 112.7(4) . . ?
N1A O1A Co3 102.3(4) . . ?
Co1 O1A Co3 114.5(2) . . ?
C0A N1A O1A 119.1(7) . . ?
C0A N1A Co4 116.1(6) . . ?
O1A N1A Co4 124.8(5) . . ?
N1A C0A C14A 115.3(7) . . ?
N1A C0A C1A 136.4(9) . . ?
C14A C0A C1A 107.9(7) . . ?
C2A C1A C6A 120.9(8) . . ?
C2A C1A C0A 131.4(8) . . ?
C6A C1A C0A 107.7(8) . . ?
C1A C2A C3A 118.3(9) . . ?
C1A C2A H2A 120.8 . . ?
C3A C2A H2A 120.8 . . ?
C4A C3A C2A 121.6(10) . . ?
C4A C3A H3A 119.2 . . ?
C2A C3A H3A 119.2 . . ?
C3A C4A C5A 121.8(9) . . ?
C3A C4A H4A 119.1 . . ?
C5A C4A H4A 119.1 . . ?
C4A C5A C6A 117.4(9) . . ?
C4A C5A H5A 121.3 . . ?
C6A C5A H5A 121.3 . . ?
C5A C6A C1A 119.8(9) . . ?
C5A C6A C7A 131.2(9) . . ?
C1A C6A C7A 108.8(7) . . ?
N2A C7A C14A 122.3(9) . . ?
N2A C7A C6A 130.5(8) . . ?
C14A C7A C6A 107.1(8) . . ?
C7A N2A C8A 114.4(8) . . ?
C14A N3A C13A 115.6(7) . . ?
C14A N3A Co4 102.3(6) . . ?
C13A N3A Co4 141.6(6) . . ?
N2A C8A C9A 119.0(9) . . ?
N2A C8A C13A 123.3(9) . . ?
C9A C8A C13A 117.6(9) . . ?
C10A C9A C8A 120.4(10) . . ?
C10A C9A H9A 119.8 . . ?
C8A C9A H9A 119.8 . . ?
C9A C10A C11A 121.5(11) . . ?
C9A C10A H10A 119.3 . . ?
C11A C10A H10A 119.3 . . ?
C12A C11A C10A 121.0(11) . . ?
C12A C11A H11A 119.5 . . ?
C10A C11A H11A 119.5 . . ?
C11A C12A C13A 118.5(9) . . ?
C11A C12A H12A 120.7 . . ?
C13A C12A H12A 120.7 . . ?
N3A C13A C12A 119.2(8) . . ?
N3A C13A C8A 119.8(9) . . ?
C12A C13A C8A 121.0(9) . . ?
N3A C14A C0A 126.6(8) . . ?
N3A C14A C7A 124.4(9) . . ?
C0A C14A C7A 108.4(8) . . ?
N1B O1B Co1 109.8(4) . . ?
N1B O1B Co4 106.6(4) . . ?
Co1 O1B Co4 116.0(2) . . ?
C0B N1B O1B 114.9(6) . . ?
C0B N1B Co5 139.6(6) . . ?
O1B N1B Co5 102.9(4) . . ?
N1B C0B C1B 131.3(8) . . ?
N1B C0B C14B 121.6(7) . . ?
C1B C0B C14B 107.0(7) . . ?
C2B C1B C6B 119.3(7) . . ?
C2B C1B C0B 132.0(8) . . ?
C6B C1B C0B 108.7(7) . . ?
C1B C2B C3B 119.2(8) . . ?
C1B C2B H2B 120.4 . . ?
C3B C2B H2B 120.4 . . ?
C4B C3B C2B 122.0(9) . . ?
C4B C3B H3B 119.0 . . ?
C2B C3B H3B 119.0 . . ?
C3B C4B C5B 119.6(9) . . ?
C3B C4B H4B 120.2 . . ?
C5B C4B H4B 120.2 . . ?
C4B C5B C6B 119.1(9) . . ?
C4B C5B H5B 120.4 . . ?
C6B C5B H5B 120.4 . . ?
C5B C6B C1B 120.8(8) . . ?
C5B C6B C7B 130.4(8) . . ?
C1B C6B C7B 108.8(7) . . ?
N2B C7B C14B 123.3(8) . . ?
N2B C7B C6B 128.5(7) . . ?
C14B C7B C6B 108.2(7) . . ?
C7B N2B C8B 115.9(7) . . ?
C14B N3B C13B 114.9(7) . . ?
C9B C8B N2B 120.6(8) . . ?
C9B C8B C13B 119.4(9) . . ?
N2B C8B C13B 120.0(8) . . ?
C10B C9B C8B 121.2(10) . . ?
C10B C9B H9B 119.4 . . ?
C8B C9B H9B 119.4 . . ?
C9B C10B C11B 121.6(10) . . ?
C9B C10B H10B 119.2 . . ?
C11B C10B H10B 119.2 . . ?
C10B C11B C12B 119.1(9) . . ?
C10B C11B H11B 120.5 . . ?
C12B C11B H11B 120.5 . . ?
C13B C12B C11B 120.7(8) . . ?
C13B C12B H12B 119.7 . . ?
C11B C12B H12B 119.7 . . ?
N3B C13B C12B 119.2(7) . . ?
N3B C13B C8B 122.8(8) . . ?
C12B C13B C8B 118.0(8) . . ?
N3B C14B C7B 123.2(8) . . ?
N3B C14B C0B 129.6(7) . . ?
C7B C14B C0B 107.3(7) . . ?
N1C O1C Co1 122.8(4) . . ?
N1C O1C Co9 108.4(4) . . ?
Co1 O1C Co9 103.6(2) . . ?
C0C N1C O1C 115.7(6) . . ?
C0C N1C Co2 137.7(6) . . ?
O1C N1C Co2 106.6(4) . . ?
N1C C0C C1C 129.5(7) . . ?
N1C C0C C14C 124.9(7) . . ?
C1C C0C C14C 105.6(7) . . ?
C2C C1C C6C 119.4(8) . . ?
C2C C1C C0C 131.4(8) . . ?
C6C C1C C0C 109.2(7) . . ?
C3C C2C C1C 117.9(9) . . ?
C3C C2C H2C 121.0 . . ?
C1C C2C H2C 121.0 . . ?
C2C C3C C4C 121.7(9) . . ?
C2C C3C H3C 119.1 . . ?
C4C C3C H3C 119.1 . . ?
C5C C4C C3C 121.2(9) . . ?
C5C C4C H4C 119.4 . . ?
C3C C4C H4C 119.4 . . ?
C4C C5C C6C 118.8(9) . . ?
C4C C5C H5C 120.6 . . ?
C6C C5C H5C 120.6 . . ?
C5C C6C C1C 120.8(8) . . ?
C5C C6C C7C 131.4(9) . . ?
C1C C6C C7C 107.7(7) . . ?
N2C C7C C14C 124.1(8) . . ?
N2C C7C C6C 125.9(8) . . ?
C14C C7C C6C 109.9(8) . . ?
C7C N2C C8C 114.3(7) . . ?
C14C N3C C13C 115.7(7) . . ?
N2C C8C C9C 118.7(8) . . ?
N2C C8C C13C 121.4(8) . . ?
C9C C8C C13C 119.9(8) . . ?
C10C C9C C8C 121.2(9) . . ?
C10C C9C H9C 119.4 . . ?
C8C C9C H9C 119.4 . . ?
C9C C10C C11C 119.1(9) . . ?
C9C C10C H10C 120.4 . . ?
C11C C10C H10C 120.4 . . ?
C12C C11C C10C 121.4(9) . . ?
C12C C11C H11C 119.3 . . ?
C10C C11C H11C 119.3 . . ?
C11C C12C C13C 120.8(8) . . ?
C11C C12C H12C 119.6 . . ?
C13C C12C H12C 119.6 . . ?
N3C C13C C12C 120.5(7) . . ?
N3C C13C C8C 121.9(8) . . ?
C12C C13C C8C 117.6(8) . . ?
N3C C14C C7C 122.6(8) . . ?
N3C C14C C0C 130.0(7) . . ?
C7C C14C C0C 107.4(7) . . ?
N1D O1D Co10 124.2(4) . . ?
N1D O1D Co1 108.0(4) . . ?
Co10 O1D Co1 105.7(2) . . ?
N1D O1D Co9 109.0(4) . . ?
Co10 O1D Co9 109.0(2) . . ?
Co1 O1D Co9 97.6(2) . . ?
C0D N1D O1D 115.4(6) . . ?
N1D C0D C1D 121.4(7) . . ?
N1D C0D C14D 131.9(7) . . ?
C1D C0D C14D 106.5(7) . . ?
C2D C1D C6D 119.5(8) . . ?
C2D C1D C0D 130.4(8) . . ?
C6D C1D C0D 110.0(7) . . ?
C1D C2D C3D 119.1(9) . . ?
C1D C2D H2D 120.4 . . ?
C3D C2D H2D 120.4 . . ?
C4D C3D C2D 121.0(9) . . ?
C4D C3D H3D 119.5 . . ?
C2D C3D H3D 119.5 . . ?
C5D C4D C3D 120.0(8) . . ?
C5D C4D H4D 120.0 . . ?
C3D C4D H4D 120.0 . . ?
C4D C5D C6D 119.2(9) . . ?
C4D C5D H5D 120.4 . . ?
C6D C5D H5D 120.4 . . ?
C5D C6D C1D 121.1(8) . . ?
C5D C6D C7D 130.4(9) . . ?
C1D C6D C7D 108.5(7) . . ?
N2D C7D C14D 122.2(8) . . ?
N2D C7D C6D 129.6(8) . . ?
C14D C7D C6D 108.1(8) . . ?
C7D N2D C8D 115.9(7) . . ?
C14D N3D C13D 115.1(7) . . ?
C14D N3D Co10 113.3(5) . . ?
C13D N3D Co10 130.0(5) . . ?
N2D C8D C9D 119.2(8) . . ?
N2D C8D C13D 122.9(8) . . ?
C9D C8D C13D 118.0(8) . . ?
C10D C9D C8D 121.3(9) . . ?
C10D C9D H9D 119.3 . . ?
C8D C9D H9D 119.3 . . ?
C9D C10D C11D 121.5(10) . . ?
C9D C10D H10D 119.2 . . ?
C11D C10D H10D 119.2 . . ?
C10D C11D C12D 120.1(9) . . ?
C10D C11D H11D 120.0 . . ?
C12D C11D H11D 120.0 . . ?
C11D C12D C13D 119.8(9) . . ?
C11D C12D H12D 120.1 . . ?
C13D C12D H12D 120.1 . . ?
N3D C13D C12D 120.1(7) . . ?
N3D C13D C8D 120.6(8) . . ?
C12D C13D C8D 119.3(8) . . ?
N3D C14D C7D 123.2(8) . . ?
N3D C14D C0D 130.0(7) . . ?
C7D C14D C0D 106.8(7) . . ?
N1E O1E Co1 116.4(8) . . ?
N1E O1E Co10 100.3(7) . . ?
Co1 O1E Co10 97.3(3) . . ?
O1E N1E C0E 116.4(10) . . ?
O1E N1E Co3 129.1(10) . . ?
C0E N1E Co3 114.4(8) . . ?
C1E C0E N1E 141.3(11) . . ?
C1E C0E C14E 108.9(9) . . ?
N1E C0E C14E 109.8(9) . . ?
C2E C1E C6E 121.7(10) . . ?
C2E C1E C0E 130.0(11) . . ?
C6E C1E C0E 108.4(10) . . ?
C1E C2E C3E 118.3(11) . . ?
C2E C3E C4E 122.3(12) . . ?
C2E C3E H3E 118.9 . . ?
C4E C3E H3E 118.9 . . ?
C3E C4E C5E 121.2(11) . . ?
C3E C4E H4E 119.4 . . ?
C5E C4E H4E 119.4 . . ?
C4E C5E C6E 114.8(11) . . ?
C4E C5E H5E 122.6 . . ?
C6E C5E H5E 122.6 . . ?
C1E C6E C5E 121.6(11) . . ?
C1E C6E C7E 109.6(9) . . ?
C5E C6E C7E 128.8(10) . . ?
N2E C7E C14E 120.4(10) . . ?
N2E C7E C6E 132.6(9) . . ?
C14E C7E C6E 107.0(9) . . ?
C7E N2E C8E 114.4(10) . . ?
C14E N3E C13E 113.1(9) . . ?
C14E N3E Co3 102.6(7) . . ?
C13E N3E Co3 142.2(7) . . ?
N2E C8E C13E 125.9(12) . . ?
N2E C8E C9E 117.6(12) . . ?
C13E C8E C9E 116.4(13) . . ?
C10E C9E C8E 123.0(15) . . ?
C10E C9E H9E 118.5 . . ?
C8E C9E H9E 118.5 . . ?
C9E C10E C11E 120.8(15) . . ?
C9E C10E H10E 119.6 . . ?
C11E C10E H10E 119.6 . . ?
C12E C11E C10E 117.0(14) . . ?
C12E C11E H11E 121.5 . . ?
C10E C11E H11E 121.5 . . ?
C11E C12E C13E 121.9(14) . . ?
C11E C12E H12E 119.0 . . ?
C13E C12E H12E 119.0 . . ?
N3E C13E C8E 119.4(11) . . ?
N3E C13E C12E 119.8(12) . . ?
C8E C13E C12E 120.7(12) . . ?
N3E C14E C7E 126.6(10) . . ?
N3E C14E C0E 127.1(10) . . ?
C7E C14E C0E 105.9(9) . . ?
N1F O1F Co7 127.5(4) . . ?
N1F O1F Co2 116.2(4) . . ?
Co7 O1F Co2 97.2(2) . . ?
N1F O1F Co6 112.2(4) . . ?
Co7 O1F Co6 103.2(2) . . ?
Co2 O1F Co6 94.9(2) . . ?
C0F N1F O1F 114.1(7) . . ?
N1F C0F C14F 133.0(8) . . ?
N1F C0F C1F 120.3(8) . . ?
C14F C0F C1F 106.7(7) . . ?
C2F C1F C6F 121.2(9) . . ?
C2F C1F C0F 130.8(8) . . ?
C6F C1F C0F 107.8(9) . . ?
C1F C2F C3F 118.2(9) . . ?
C1F C2F H2F 120.9 . . ?
C3F C2F H2F 120.9 . . ?
C4F C3F C2F 120.4(11) . . ?
C4F C3F H3F 119.8 . . ?
C2F C3F H3F 119.8 . . ?
C5F C4F C3F 122.6(10) . . ?
C5F C4F H4F 118.7 . . ?
C3F C4F H4F 118.7 . . ?
C4F C5F C6F 118.0(10) . . ?
C4F C5F H5F 121.0 . . ?
C6F C5F H5F 121.0 . . ?
C5F C6F C1F 119.5(11) . . ?
C5F C6F C7F 130.9(10) . . ?
C1F C6F C7F 109.5(8) . . ?
N2F C7F C14F 123.9(10) . . ?
N2F C7F C6F 129.0(9) . . ?
C14F C7F C6F 107.1(8) . . ?
C7F N2F C8F 115.2(8) . . ?
C14F N3F C13F 116.3(8) . . ?
C14F N3F Co7 115.6(6) . . ?
C13F N3F Co7 127.0(7) . . ?
N2F C8F C9F 119.2(10) . . ?
N2F C8F C13F 123.0(9) . . ?
C9F C8F C13F 117.9(11) . . ?
C10F C9F C8F 120.7(11) . . ?
C10F C9F H9F 119.6 . . ?
C8F C9F H9F 119.6 . . ?
C9F C10F C11F 120.1(11) . . ?
C9F C10F H10F 120.0 . . ?
C11F C10F H10F 120.0 . . ?
C12F C11F C10F 120.3(12) . . ?
C12F C11F H11F 119.9 . . ?
C10F C11F H11F 119.9 . . ?
C11F C12F C13F 120.4(10) . . ?
C11F C12F H12F 119.8 . . ?
C13F C12F H12F 119.8 . . ?
N3F C13F C12F 118.6(9) . . ?
N3F C13F C8F 120.8(10) . . ?
C12F C13F C8F 120.6(9) . . ?
N3F C14F C7F 120.8(8) . . ?
N3F C14F C0F 130.2(8) . . ?
C7F C14F C0F 108.8(9) . . ?
N1G O1G Co9 131.3(5) . . ?
N1G O1G Co2 110.9(4) . . ?
Co9 O1G Co2 113.5(2) . . ?
C0G N1G O1G 116.8(7) . . ?
N1G C0G C1G 121.8(8) . . ?
N1G C0G C14G 131.6(8) . . ?
C1G C0G C14G 106.3(8) . . ?
C2G C1G C6G 119.8(9) . . ?
C2G C1G C0G 130.2(9) . . ?
C6G C1G C0G 109.7(9) . . ?
C1G C2G C3G 119.6(10) . . ?
C1G C2G H2G 120.2 . . ?
C3G C2G H2G 120.2 . . ?
C4G C3G C2G 119.9(11) . . ?
C4G C3G H3G 120.0 . . ?
C2G C3G H3G 120.0 . . ?
C5G C4G C3G 121.2(10) . . ?
C5G C4G H4G 119.4 . . ?
C3G C4G H4G 119.4 . . ?
C4G C5G C6G 118.9(10) . . ?
C4G C5G H5G 120.5 . . ?
C6G C5G H5G 120.5 . . ?
C5G C6G C1G 120.4(10) . . ?
C5G C6G C7G 131.9(10) . . ?
C1G C6G C7G 107.7(8) . . ?
N2G C7G C6G 127.4(9) . . ?
N2G C7G C14G 122.5(10) . . ?
C6G C7G C14G 110.1(8) . . ?
C7G N2G C8G 114.2(9) . . ?
C14G N3G C13G 114.7(8) . . ?
C14G N3G Co9 118.9(6) . . ?
C13G N3G Co9 126.4(7) . . ?
N2G C8G C9G 117.9(10) . . ?
N2G C8G C13G 124.6(9) . . ?
C9G C8G C13G 117.5(11) . . ?
C8G C9G C10G 121.2(12) . . ?
C8G C9G H9G 119.4 . . ?
C10G C9G H9G 119.4 . . ?
C11G C10G C9G 119.4(12) . . ?
C11G C10G H10G 120.3 . . ?
C9G C10G H10G 120.3 . . ?
C10G C11G C12G 122.9(12) . . ?
C10G C11G H11G 118.5 . . ?
C12G C11G H11G 118.5 . . ?
C11G C12G C13G 117.8(11) . . ?
C11G C12G H12G 121.1 . . ?
C13G C12G H12G 121.1 . . ?
N3G C13G C12G 119.5(9) . . ?
N3G C13G C8G 119.6(9) . . ?
C12G C13G C8G 120.9(9) . . ?
N3G C14G C7G 124.3(9) . . ?
N3G C14G C0G 129.7(8) . . ?
C7G C14G C0G 106.0(8) . . ?
N1H O1H Co3 127.6(5) . . ?
C0H N1H O1H 118.3(7) . . ?
C0H N1H Co4 114.4(6) . . ?
O1H N1H Co4 127.2(5) . . ?
N1H C0H C14H 116.4(8) . . ?
N1H C0H C1H 134.7(9) . . ?
C14H C0H C1H 108.1(7) . . ?
C2H C1H C6H 121.7(9) . . ?
C2H C1H C0H 131.7(8) . . ?
C6H C1H C0H 106.6(8) . . ?
C1H C2H C3H 116.7(10) . . ?
C1H C2H H2H 121.6 . . ?
C3H C2H H2H 121.6 . . ?
C2H C3H C4H 122.6(11) . . ?
C2H C3H H3H 118.7 . . ?
C4H C3H H3H 118.7 . . ?
C5H C4H C3H 121.0(10) . . ?
C5H C4H H4H 119.5 . . ?
C3H C4H H4H 119.5 . . ?
C4H C5H C6H 117.8(10) . . ?
C4H C5H H5H 121.1 . . ?
C6H C5H H5H 121.1 . . ?
C5H C6H C1H 120.2(10) . . ?
C5H C6H C7H 130.2(9) . . ?
C1H C6H C7H 109.5(8) . . ?
N2H C7H C14H 121.6(9) . . ?
N2H C7H C6H 131.3(8) . . ?
C14H C7H C6H 107.1(8) . . ?
C7H N2H C8H 115.2(8) . . ?
C14H N3H C13H 115.8(8) . . ?
C14H N3H Co4 103.5(6) . . ?
C13H N3H Co4 139.7(6) . . ?
N2H C8H C9H 118.1(9) . . ?
N2H C8H C13H 122.5(9) . . ?
C9H C8H C13H 119.4(9) . . ?
C10H C9H C8H 121.5(9) . . ?
C10H C9H H9H 119.2 . . ?
C8H C9H H9H 119.2 . . ?
C9H C10H C11H 119.4(10) . . ?
C9H C10H H10H 120.3 . . ?
C11H C10H H10H 120.3 . . ?
C12H C11H C10H 120.8(11) . . ?
C12H C11H H11H 119.6 . . ?
C10H C11H H11H 119.6 . . ?
C11H C12H C13H 120.1(10) . . ?
C11H C12H H12H 120.0 . . ?
C13H C12H H12H 120.0 . . ?
N3H C13H C12H 121.2(8) . . ?
N3H C13H C8H 120.1(9) . . ?
C12H C13H C8H 118.8(9) . . ?
N3H C14H C7H 124.6(9) . . ?
N3H C14H C0H 126.5(8) . . ?
C7H C14H C0H 108.6(8) . . ?
N1I O1I Co5 115.2(7) . . ?
O1I N1I C0I 117.2(10) . . ?
O1I N1I Co6 125.0(7) . . ?
C0I N1I Co6 117.7(8) . . ?
N1I C0I C14I 115.5(11) . . ?
N1I C0I C1I 132.6(12) . . ?
C14I C0I C1I 111.1(10) . . ?
C2I C1I C0I 135.5(11) . . ?
C2I C1I C6I 118.4(12) . . ?
C0I C1I C6I 106.0(12) . . ?
C1I C2I C3I 123.3(12) . . ?
C1I C2I H2I 118.4 . . ?
C3I C2I H2I 118.4 . . ?
C2I C3I C4I 116.0(14) . . ?
C2I C3I H3I 122.0 . . ?
C4I C3I H3I 122.0 . . ?
C5I C4I C3I 123.7(13) . . ?
C5I C4I H4I 118.1 . . ?
C3I C4I H4I 118.1 . . ?
C4I C5I C6I 116.3(14) . . ?
C4I C5I H5I 121.9 . . ?
C6I C5I H5I 121.9 . . ?
C5I C6I C1I 122.3(15) . . ?
C5I C6I C7I 129.1(12) . . ?
C1I C6I C7I 108.6(11) . . ?
N2I C7I C14I 121.5(14) . . ?
N2I C7I C6I 131.7(12) . . ?
C14I C7I C6I 106.8(11) . . ?
C7I N2I C8I 116.7(11) . . ?
C14I N3I C13I 115.1(10) . . ?
C14I N3I Co6 102.3(8) . . ?
C13I N3I Co6 141.0(9) . . ?
N2I C8I C9I 117.6(13) . . ?
N2I C8I C13I 122.0(13) . . ?
C9I C8I C13I 120.4(16) . . ?
C10I C9I C8I 119.2(15) . . ?
C10I C9I H9I 120.4 . . ?
C8I C9I H9I 120.4 . . ?
C9I C10I C11I 122.7(15) . . ?
C9I C10I H10I 118.7 . . ?
C11I C10I H10I 118.7 . . ?
C12I C11I C10I 118.9(16) . . ?
C12I C11I H11I 120.5 . . ?
C10I C11I H11I 120.5 . . ?
C11I C12I C13I 121.1(13) . . ?
C11I C12I H12I 119.4 . . ?
C13I C12I H12I 119.4 . . ?
C12I C13I N3I 123.5(11) . . ?
C12I C13I C8I 117.6(13) . . ?
N3I C13I C8I 118.9(15) . . ?
N3I C14I C0I 126.9(10) . . ?
N3I C14I C7I 125.6(12) . . ?
C0I C14I C7I 107.4(12) . . ?
N1J O1J Co7 110.4(5) . . ?
C0J N1J O1J 119.1(7) . . ?
C0J N1J Co6 111.9(6) . . ?
O1J N1J Co6 128.5(6) . . ?
N1J C0J C14J 115.7(8) . . ?
N1J C0J C1J 136.5(9) . . ?
C14J C0J C1J 107.8(8) . . ?
C2J C1J C6J 120.3(10) . . ?
C2J C1J C0J 131.7(9) . . ?
C6J C1J C0J 108.0(9) . . ?
C1J C2J C3J 118.4(11) . . ?
C1J C2J H2J 120.8 . . ?
C3J C2J H2J 120.8 . . ?
C4J C3J C2J 121.1(11) . . ?
C4J C3J H3J 119.4 . . ?
C2J C3J H3J 119.4 . . ?
C3J C4J C5J 120.4(11) . . ?
C3J C4J H4J 119.8 . . ?
C5J C4J H4J 119.8 . . ?
C4J C5J C6J 119.7(11) . . ?
C4J C5J H5J 120.2 . . ?
C6J C5J H5J 120.2 . . ?
C5J C6J C1J 120.1(10) . . ?
C5J C6J C7J 130.6(10) . . ?
C1J C6J C7J 109.3(9) . . ?
N2J C7J C14J 123.6(9) . . ?
N2J C7J C6J 130.9(9) . . ?
C14J C7J C6J 105.5(9) . . ?
C7J N2J C8J 111.7(9) . . ?
C14J N3J C13J 114.8(8) . . ?
C14J N3J Co6 105.4(6) . . ?
C13J N3J Co6 139.8(7) . . ?
N2J C8J C9J 117.5(10) . . ?
N2J C8J C13J 126.0(10) . . ?
C9J C8J C13J 116.5(11) . . ?
C10J C9J C8J 122.5(13) . . ?
C10J C9J H9J 118.8 . . ?
C8J C9J H9J 118.8 . . ?
C9J C10J C11J 120.3(12) . . ?
C9J C10J H10J 119.9 . . ?
C11J C10J H10J 119.9 . . ?
C12J C11J C10J 119.8(12) . . ?
C12J C11J H11J 120.1 . . ?
C10J C11J H11J 120.1 . . ?
C11J C12J C13J 120.5(11) . . ?
C11J C12J H12J 119.7 . . ?
C13J C12J H12J 119.7 . . ?
C12J C13J N3J 120.3(9) . . ?
C12J C13J C8J 120.5(9) . . ?
N3J C13J C8J 119.2(9) . . ?
N3J C14J C7J 124.5(9) . . ?
N3J C14J C0J 126.2(9) . . ?
C7J C14J C0J 109.3(8) . . ?
N1K O1K Co7 124.0(5) . . ?
C0K N1K O1K 115.3(8) . . ?
C0K N1K Co8 129.8(7) . . ?
O1K N1K Co8 114.9(5) . . ?
N1K C0K C14K 121.6(9) . . ?
N1K C0K C1K 130.5(10) . . ?
C14K C0K C1K 107.9(9) . . ?
C2K C1K C6K 120.6(10) . . ?
C2K C1K C0K 131.7(10) . . ?
C6K C1K C0K 107.6(10) . . ?
C1K C2K C3K 116.7(13) . . ?
C1K C2K H2K 121.7 . . ?
C3K C2K H2K 121.7 . . ?
C4K C3K C2K 123.8(15) . . ?
C4K C3K H3K 118.1 . . ?
C2K C3K H3K 118.1 . . ?
C3K C4K C5K 119.5(12) . . ?
C3K C4K H4K 120.3 . . ?
C5K C4K H4K 120.3 . . ?
C6K C5K C4K 118.4(12) . . ?
C6K C5K H5K 120.8 . . ?
C4K C5K H5K 120.8 . . ?
C5K C6K C1K 121.0(12) . . ?
C5K C6K C7K 130.1(12) . . ?
C1K C6K C7K 108.9(10) . . ?
N2K C7K C6K 130.5(12) . . ?
N2K C7K C14K 120.3(13) . . ?
C6K C7K C14K 109.2(10) . . ?
C7K N2K C8K 115.4(12) . . ?
C14K N3K C13K 115.1(10) . . ?
N2K C8K C9K 119.6(15) . . ?
N2K C8K C13K 124.1(11) . . ?
C9K C8K C13K 116.1(15) . . ?
C10K C9K C8K 121.2(18) . . ?
C10K C9K H9K 119.4 . . ?
C8K C9K H9K 119.4 . . ?
C9K C10K C11K 123.1(17) . . ?
C9K C10K H10K 118.4 . . ?
C11K C10K H10K 118.4 . . ?
C10K C11K C12K 116.1(18) . . ?
C10K C11K H11K 121.9 . . ?
C12K C11K H11K 121.9 . . ?
C13K C12K C11K 122.5(17) . . ?
C13K C12K H12K 118.8 . . ?
C11K C12K H12K 118.8 . . ?
C12K C13K N3K 120.2(14) . . ?
C12K C13K C8K 120.5(12) . . ?
N3K C13K C8K 119.3(12) . . ?
N3K C14K C0K 128.0(10) . . ?
N3K C14K C7K 125.7(11) . . ?
C0K C14K C7K 106.3(10) . . ?
N1L O1L Co8 131.3(6) . . ?
N1L O1L Co9 115.5(6) . . ?
Co8 O1L Co9 111.4(3) . . ?
O1L N1L C0L 114.7(9) . . ?
N1L C0L C14L 133.1(9) . . ?
N1L C0L C1L 118.1(10) . . ?
C14L C0L C1L 108.8(9) . . ?
C2L C1L C6L 121.0(10) . . ?
C2L C1L C0L 132.7(11) . . ?
C6L C1L C0L 106.3(10) . . ?
C1L C2L C3L 118.0(12) . . ?
C1L C2L H2L 121.0 . . ?
C3L C2L H2L 121.0 . . ?
C4L C3L C2L 122.4(13) . . ?
C4L C3L H3L 118.8 . . ?
C2L C3L H3L 118.8 . . ?
C5L C4L C3L 120.4(12) . . ?
C5L C4L H4L 119.8 . . ?
C3L C4L H4L 119.8 . . ?
C4L C5L C6L 119.2(12) . . ?
C4L C5L H5L 120.4 . . ?
C6L C5L H5L 120.4 . . ?
C1L C6L C5L 118.9(12) . . ?
C1L C6L C7L 110.9(10) . . ?
C5L C6L C7L 130.2(11) . . ?
N2L C7L C6L 130.2(10) . . ?
N2L C7L C14L 122.9(10) . . ?
C6L C7L C14L 106.9(10) . . ?
C7L N2L C8L 115.8(9) . . ?
C14L N3L C13L 116.5(8) . . ?
C14L N3L Co8 114.6(7) . . ?
C13L N3L Co8 127.8(7) . . ?
N2L C8L C13L 122.3(10) . . ?
N2L C8L C9L 119.5(10) . . ?
C13L C8L C9L 118.1(10) . . ?
C10L C9L C8L 121.0(10) . . ?
C10L C9L H9L 119.5 . . ?
C8L C9L H9L 119.5 . . ?
C9L C10L C11L 120.3(11) . . ?
C9L C10L H10X 119.8 . . ?
C11L C10L H10X 119.8 . . ?
C12L C11L C10L 120.2(11) . . ?
C12L C11L H11X 119.9 . . ?
C10L C11L H11X 119.9 . . ?
C11L C12L C13L 121.3(10) . . ?
C11L C12L H12X 119.3 . . ?
C13L C12L H12X 119.3 . . ?
N3L C13L C12L 121.0(10) . . ?
N3L C13L C8L 120.0(10) . . ?
C12L C13L C8L 118.9(10) . . ?
N3L C14L C0L 130.5(9) . . ?
N3L C14L C7L 122.3(10) . . ?
C0L C14L C7L 107.1(9) . . ?
N1N O1N Co9 117.9(6) . . ?
O1N N1N C0N 115.2(8) . . ?
O1N N1N Co10 128.7(6) . . ?
C0N N1N Co10 115.8(7) . . ?
N1N C0N C1N 138.1(10) . . ?
N1N C0N C14N 114.3(9) . . ?
C1N C0N C14N 107.5(9) . . ?
C2N C1N C6N 119.8(11) . . ?
C2N C1N C0N 130.8(10) . . ?
C6N C1N C0N 109.4(11) . . ?
C3N C2N C1N 118.9(13) . . ?
C3N C2N H2N 120.6 . . ?
C1N C2N H2N 120.6 . . ?
C2N C3N C4N 122.8(16) . . ?
C2N C3N H3N 118.6 . . ?
C4N C3N H3N 118.6 . . ?
C3N C4N C5N 122.2(13) . . ?
C3N C4N H4N 118.9 . . ?
C5N C4N H4N 118.9 . . ?
C6N C5N C4N 113.8(13) . . ?
C6N C5N H5N 123.1 . . ?
C4N C5N H5N 123.1 . . ?
C5N C6N C1N 122.3(13) . . ?
C5N C6N C7N 130.0(12) . . ?
C1N C6N C7N 107.7(9) . . ?
N2N C7N C14N 120.8(12) . . ?
N2N C7N C6N 132.0(10) . . ?
C14N C7N C6N 107.2(9) . . ?
C8N N2N C7N 115.2(9) . . ?
C14N N3N C13N 113.7(8) . . ?
C14N N3N Co10 104.8(6) . . ?
C13N N3N Co10 140.5(7) . . ?
N2N C8N C9N 116.3(11) . . ?
N2N C8N C13N 122.9(10) . . ?
C9N C8N C13N 120.8(13) . . ?
C10N C9N C8N 120.2(13) . . ?
C10N C9N H9N 119.9 . . ?
C8N C9N H9N 119.9 . . ?
C9N C10N C11N 121.8(14) . . ?
C9N C10N H10N 119.1 . . ?
C11N C10N H10N 119.1 . . ?
C10N C11N C12N 118.7(14) . . ?
C10N C11N H11N 120.7 . . ?
C12N C11N H11N 120.7 . . ?
C13N C12N C11N 121.4(12) . . ?
C13N C12N H12N 119.3 . . ?
C11N C12N H12N 119.3 . . ?
N3N C13N C12N 121.8(10) . . ?
N3N C13N C8N 121.0(10) . . ?
C12N C13N C8N 117.2(11) . . ?
N3N C14N C7N 126.3(10) . . ?
N3N C14N C0N 125.4(9) . . ?
C7N C14N C0N 108.3(10) . . ?
N1O O1O Co10 123.7(6) . . ?
O1O N1O C0O 116.0(8) . . ?
O1O N1O Co3 131.1(6) . . ?
C0O N1O Co3 112.8(7) . . ?
N1O C0O C14O 115.7(9) . . ?
N1O C0O C1O 135.2(10) . . ?
C14O C0O C1O 108.6(9) . . ?
C2O C1O C6O 120.8(11) . . ?
C2O C1O C0O 131.8(12) . . ?
C6O C1O C0O 107.5(11) . . ?
C3O C2O C1O 122.0(16) . . ?
C3O C2O H2O 119.0 . . ?
C1O C2O H2O 119.0 . . ?
C2O C3O C4O 118.1(16) . . ?
C2O C3O H3O 120.9 . . ?
C4O C3O H3O 120.9 . . ?
C3O C4O C5O 126.1(13) . . ?
C3O C4O H4O 117.0 . . ?
C5O C4O H4O 117.0 . . ?
C4O C5O C6O 112.3(14) . . ?
C4O C5O H5O 123.8 . . ?
C6O C5O H5O 123.8 . . ?
C1O C6O C7O 109.3(9) . . ?
C1O C6O C5O 120.6(14) . . ?
C7O C6O C5O 130.0(14) . . ?
N2O C7O C6O 133.2(11) . . ?
N2O C7O C14O 119.0(12) . . ?
C6O C7O C14O 107.7(10) . . ?
C7O N2O C8O 118.8(10) . . ?
C14O N3O C13O 114.5(8) . . ?
C14O N3O Co3 104.7(6) . . ?
C13O N3O Co3 139.8(7) . . ?
N2O C8O C9O 121.9(12) . . ?
N2O C8O C13O 122.5(10) . . ?
C9O C8O C13O 115.6(13) . . ?
C10O C9O C8O 121.6(13) . . ?
C10O C9O H9O 119.2 . . ?
C8O C9O H9O 119.2 . . ?
C9O C10O C11O 124.7(13) . . ?
C9O C10O H10O 117.7 . . ?
C11O C10O H10O 117.7 . . ?
C10O C11O C12O 117.8(12) . . ?
C10O C11O H11O 121.1 . . ?
C12O C11O H11O 121.1 . . ?
C13O C12O C11O 119.2(11) . . ?
C13O C12O H12O 120.4 . . ?
C11O C12O H12O 120.4 . . ?
N3O C13O C12O 121.4(10) . . ?
N3O C13O C8O 117.5(10) . . ?
C12O C13O C8O 121.1(11) . . ?
N3O C14O C0O 125.8(8) . . ?
N3O C14O C7O 127.4(11) . . ?
C0O C14O C7O 106.7(10) . . ?
C1M O1M Co5 131.7(11) . . ?
C1M O1M Co4 115.1(11) . . ?
Co5 O1M Co4 111.0(3) . . ?
O1M C1M H1M1 109.5 . . ?
O1M C1M H1M2 109.5 . . ?
H1M1 C1M H1M2 109.5 . . ?
O1M C1M H1M3 109.5 . . ?
H1M1 C1M H1M3 109.5 . . ?
H1M2 C1M H1M3 109.5 . . ?
O31 Cl1 O41 111.4(13) . . ?
O31 Cl1 O21 111.1(10) . . ?
O41 Cl1 O21 104.3(10) . . ?
O31 Cl1 O11 102.2(16) . . ?
O41 Cl1 O11 110.2(12) . . ?
O21 Cl1 O11 117.8(14) . . ?
Cl21 Cl2 O42 139(3) . . ?
Cl21 Cl2 O32 78(2) . . ?
O42 Cl2 O32 105(2) . . ?
Cl21 Cl2 O22 94(2) . . ?
O42 Cl2 O22 120(2) . . ?
O32 Cl2 O22 113.3(18) . . ?
Cl21 Cl2 O12 48.6(18) . . ?
O42 Cl2 O12 97.8(19) . . ?
O32 Cl2 O12 115.4(17) . . ?
O22 Cl2 O12 104.9(15) . . ?
Cl21 Cl2 Cl22 27(2) . . ?
O42 Cl2 Cl22 144(2) . . ?
O32 Cl2 Cl22 52.1(16) . . ?
O22 Cl2 Cl22 96.2(17) . . ?
O12 Cl2 Cl22 74.4(16) . . ?
Cl21 O12 Cl2 49(2) . . ?
Cl2 O22 Cl21 36.4(12) . . ?
Cl2 O32 Cl21 45.5(15) . . ?
Cl2 O32 Cl22 90(2) . . ?
Cl21 O32 Cl22 45.2(17) . . ?
C2M O2M H2M 109.9 . . ?
O2M C2M H2M1 109.6 . . ?
O2M C2M H2M2 109.4 . . ?
H2M1 C2M H2M2 109.5 . . ?
O2M C2M H2M3 109.4 . . ?
H2M1 C2M H2M3 109.5 . . ?
H2M2 C2M H2M3 109.5 . . ?
C3M O3M H3M 104.9 . . ?
O3M C3M H3M1 105.4 . . ?
O3M C3M H3M2 110.2 . . ?
H3M1 C3M H3M2 109.5 . . ?
O3M C3M H3M3 112.7 . . ?
H3M1 C3M H3M3 109.5 . . ?
H3M2 C3M H3M3 109.5 . . ?
C4M O4M H4M 106.0 . . ?
O4M C4M H4M1 109.5 . . ?
O4M C4M H4M2 109.5 . . ?
H4M1 C4M H4M2 109.5 . . ?
O4M C4M H4M3 109.5 . . ?
H4M1 C4M H4M3 109.5 . . ?
H4M2 C4M H4M3 109.5 . . ?
C5M O5M H5M 109.5 . . ?
O5M C5M H5M1 109.5 . . ?
O5M C5M H5M2 109.5 . . ?
H5M1 C5M H5M2 109.5 . . ?
O5M C5M H5M3 109.5 . . ?
H5M1 C5M H5M3 109.5 . . ?
H5M2 C5M H5M3 109.5 . . ?
C6M O6M H6M 115.0 . . ?
O6M C6M H6M1 111.2 . . ?
O6M C6M H6M2 107.2 . . ?
H6M1 C6M H6M2 109.5 . . ?
O6M C6M H6M3 110.1 . . ?
H6M1 C6M H6M3 109.5 . . ?
H6M2 C6M H6M3 109.5 . . ?
C7M O7M H7M 109.5 . . ?
O7M C7M H7M1 106.5 . . ?
O7M C7M H7M2 110.0 . . ?
H7M1 C7M H7M2 109.5 . . ?
O7M C7M H7M3 111.9 . . ?
H7M1 C7M H7M3 109.5 . . ?
H7M2 C7M H7M3 109.5 . . ?
C8M O8M H8M 109.5 . . ?
O8M C8M H8M1 109.1 . . ?
O8M C8M H8M2 109.5 . . ?
H8M1 C8M H8M2 109.5 . . ?
O8M C8M H8M3 109.8 . . ?
H8M1 C8M H8M3 109.5 . . ?
H8M2 C8M H8M3 109.5 . . ?
C9M O9M H9M 109.5 . . ?
O9M C9M H9M1 109.5 . . ?
O9M C9M H9M2 109.5 . . ?
H9M1 C9M H9M2 109.5 . . ?
O9M C9M H9M3 109.5 . . ?
H9M1 C9M H9M3 109.5 . . ?
H9M2 C9M H9M3 109.5 . . ?
C10M O10M H10M 109.5 . . ?
O10M C10M H10L 109.5 . . ?
O10M C10M H10Q 109.5 . . ?
H10L C10M H10Q 109.5 . . ?
O10M C10M H10R 109.5 . . ?
H10L C10M H10R 109.5 . . ?
H10Q C10M H10R 109.5 . . ?
O5W O4W O6W 69(4) . . ?
O4W O5W O6W 66(4) . . ?
O4W O6W O5W 45(3) . . ?
C11M O11M H11M 109.5 . . ?
O11M C11M H11L 109.5 . . ?
O11M C11M H11Q 109.5 . . ?
H11L C11M H11Q 109.5 . . ?
O11M C11M H11R 109.5 . . ?
H11L C11M H11R 109.5 . . ?
H11Q C11M H11R 109.5 . . ?
C12M O12M H12M 109.5 . . ?
O12M C12M H12L 109.5 . . ?
O12M C12M H12Q 109.5 . . ?
H12L C12M H12Q 109.5 . . ?
O12M C12M H12R 109.5 . . ?
H12L C12M H12R 109.5 . . ?
H12Q C12M H12R 109.5 . . ?
O13M C13M H13A 109.5 . . ?
O13M C13M H13B 109.5 . . ?
H13A C13M H13B 109.5 . . ?
O13M C13M H13C 109.5 . . ?
H13A C13M H13C 109.5 . . ?
H13B C13M H13C 109.5 . . ?
C13M O13M H13M 109.5 . . ?
C14M O14M H14M 109.5 . . ?
O14M C14M H14A 109.5 . . ?
O14M C14M H14B 109.5 . . ?
H14A C14M H14B 109.5 . . ?
O14M C14M H14C 109.5 . . ?
H14A C14M H14C 109.5 . . ?
H14B C14M H14C 109.5 . . ?
C15M O15M H15M 109.5 . . ?
O15M C15M H15A 109.5 . . ?
O15M C15M H15B 109.5 . . ?
H15A C15M H15B 109.5 . . ?
O15M C15M H15C 109.5 . . ?
H15A C15M H15C 109.5 . . ?
H15B C15M H15C 109.5 . . ?
C16M O16M H16M 109.5 . . ?
O16M C16M H16A 109.5 . . ?
O16M C16M H16B 109.5 . . ?
H16A C16M H16B 109.5 . . ?
O16M C16M H16C 109.5 . . ?
H16A C16M H16C 109.5 . . ?
H16B C16M H16C 109.5 . . ?
O14W O13W O15W 156(4) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2 H2 N3B 0.86 2.26 2.985(8) 141.8 .
O3 H3 N3C 0.86 2.12 2.829(8) 139.2 .
C9A H9A O15W 0.95 2.51 3.42(4) 159.0 2_676
C12A H12A N2H 0.95 2.58 3.280(12) 130.9 2_676
C9D H9D O41 0.95 2.54 3.423(18) 154.6 .
C12D H12D N3N 0.95 2.53 3.328(12) 142.0 .
C12G H12G O1N 0.95 2.07 2.942(13) 151.2 .
C12G H12G N1N 0.95 2.54 3.276(13) 134.9 .
C12H H12H O1M 0.95 2.40 3.206(12) 142.1 .
C12I H12I N1J 0.95 2.51 3.273(14) 137.1 .
C9L H9L N3K 0.95 2.61 3.529(13) 163.8 2_667
C12L H12X O1K 0.95 2.39 3.340(13) 174.0 .
C12L H12X N1K 0.95 2.47 3.307(14) 146.7 .
C12N H12N O1O 0.95 2.54 3.340(13) 141.7 .
C12O H12O O1H 0.95 2.40 3.188(14) 140.6 .
C1M H1M3 N3A 0.98 2.16 2.78(3) 119.9 .
O1W H1W O2W 0.95 2.06 2.77(3) 130.0 .
O2M H2M N2C 0.84 2.11 2.887(10) 154.5 .
O3M H3M O3W 0.85 1.99 2.84(2) 178.9 .
C3M H3M1 O31 0.98 2.57 3.53(4) 165.5 1_455
C3M H3M1 O41 0.98 2.54 3.27(3) 131.8 1_455
C5M H5M1 Cl21 0.98 2.23 3.09(6) 144.7 .
C5M H5M1 Cl22 0.98 1.81 2.78(7) 169.8 .
O6M H6M O3M 0.85 1.95 2.80(3) 178.8 1_565
C6M H6M1 O31 0.98 2.46 3.36(3) 152.5 1_465
O8M H8M N2O 0.84 2.13 2.969(13) 172.1 1_445
C11M H11R O11 0.98 2.38 3.09(5) 128.9 1_455
C16M H16C N2J 0.98 2.62 3.42(5) 139.1 .

_refine_diff_density_max         1.570
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.128

_shelxl_version_number           2013-2


# start Validation Reply Form
_vrf_CELLZ01_at578a              
;
PROBLEM: Large difference may be due to a
RESPONSE: Hydrogen atoms from water molecules were not found. One of perchlorate
anion was disordered over three sites and we were not able to find oxygen atoms
of less occupied anions (Cl21 and Cl22).
;
# end Validation Reply Form

_database_code_depnum_ccdc_archive 'CCDC 989903'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_at578a

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C209.65 H116.40 Co10.05 N41.85 O17.95), 2 (Cl O4),8.05(C H4 O), 5.75 (H2 O)'
_chemical_formula_sum            'C217.70 H160.10 Cl2 Co10.05 N41.85 O39.75'
_chemical_formula_weight         4661.41

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   18.982(5)
_cell_length_b                   23.662(6)
_cell_length_c                   25.681(6)
_cell_angle_alpha                77.95(3)
_cell_angle_beta                 73.89(3)
_cell_angle_gamma                72.97(3)
_cell_volume                     10493(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    11426
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      26.0

_exptl_crystal_description       block
_exptl_crystal_colour            pink-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_F_000             4766
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.884
_shelx_estimated_absorpt_T_min   0.747
_shelx_estimated_absorpt_T_max   0.857
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Analytical numeric absorption correction using a
multifaceted crystal model based on expressions
 derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur with CCD Ruby detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            87729
_diffrn_reflns_av_unetI/netI     0.1520
_diffrn_reflns_av_R_equivalents  0.0765
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.797
_diffrn_reflns_theta_max         26.057
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             41142
_reflns_number_gt                19457
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlis CCD (Agilent, 2013)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2013)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1520P)²+13.2772P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         41142
_refine_ls_number_parameters     2868
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.2017
_refine_ls_R_factor_gt           0.0999
_refine_ls_wR_factor_ref         0.3244
_refine_ls_wR_factor_gt          0.2470
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001

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 0.74030(6) 0.75757(5) 0.69149(4) 0.0332(3) Uani 1 1 d . . . . .
Co2 Co 0.63718(6) 0.74872(5) 0.82865(4) 0.0325(3) Uani 1 1 d . . . . .
Co3 Co 0.86537(7) 0.81151(6) 0.57181(5) 0.0442(3) Uani 1 1 d . . . . .
Co4 Co 0.65873(6) 0.90654(5) 0.62829(5) 0.0371(3) Uani 1 1 d . . . . .
Co5 Co 0.59532(7) 0.86424(5) 0.75527(4) 0.0375(3) Uani 1 1 d . . . . .
Co6 Co 0.52961(7) 0.86413(5) 0.89047(4) 0.0382(3) Uani 1 1 d . . . . .
Co7 Co 0.61616(7) 0.73694(5) 0.95781(5) 0.0418(3) Uani 1 1 d . . . . .
Co8 Co 0.65487(7) 0.61584(5) 0.89799(5) 0.0409(3) Uani 1 1 d . . . . .
Co9 Co 0.76906(7) 0.62672(5) 0.77076(5) 0.0401(3) Uani 1 1 d . . . . .
Co10 Co 0.89961(7) 0.65315(6) 0.64708(5) 0.0423(3) Uani 1 1 d . . . . .
Co11 Co 0.7771(15) 0.7098(11) 0.5821(11) 0.043(6) Uiso 0.05 1 d . . P . .
O1 O 0.6911(3) 0.7994(2) 0.7632(2) 0.0314(12) Uani 1 1 d . . . . .
H1 H 0.7230 0.8128 0.7721 0.038 Uiso 1 1 calc R U . . .
O2 O 0.5413(3) 0.8221(2) 0.8265(2) 0.0361(13) Uani 1 1 d . . . . .
H2 H 0.5011 0.8134 0.8248 0.043 Uiso 1 1 calc R U . . .
O3 O 0.5931(3) 0.6993(2) 0.8993(2) 0.0362(13) Uani 1 1 d . . . . .
H3 H 0.5456 0.7024 0.9038 0.043 Uiso 1 1 calc R U . . .
O1A O 0.8054(3) 0.8187(2) 0.6568(2) 0.0391(13) Uani 1 1 d . . . . .
N1A N 0.7628(4) 0.8763(3) 0.6536(3) 0.0386(17) Uani 1 1 d . . . . .
C0A C 0.7855(5) 0.9162(4) 0.6675(3) 0.0364(19) Uani 1 1 d . . . . .
C1A C 0.8468(5) 0.9167(4) 0.6919(3) 0.044(2) Uani 1 1 d . . . . .
C2A C 0.8991(5) 0.8708(4) 0.7138(3) 0.046(2) Uani 1 1 d . . . . .
H2A H 0.8997 0.8303 0.7148 0.055 Uiso 1 1 calc R U . . .
C3A C 0.9509(6) 0.8852(5) 0.7345(4) 0.060(3) Uani 1 1 d . . . . .
H3A H 0.9862 0.8541 0.7508 0.072 Uiso 1 1 calc R U . . .
C4A C 0.9523(6) 0.9441(6) 0.7318(4) 0.064(3) Uani 1 1 d . . . . .
H4A H 0.9895 0.9522 0.7454 0.077 Uiso 1 1 calc R U . . .
C5A C 0.9004(6) 0.9917(5) 0.7097(4) 0.060(3) Uani 1 1 d . . . . .
H5A H 0.9021 1.0319 0.7077 0.072 Uiso 1 1 calc R U . . .
C6A C 0.8455(5) 0.9779(4) 0.6905(3) 0.042(2) Uani 1 1 d . . . . .
C7A C 0.7852(6) 1.0165(4) 0.6641(3) 0.046(2) Uani 1 1 d . . . . .
N2A N 0.7663(5) 1.0741(4) 0.6512(3) 0.054(2) Uani 1 1 d . . . . .
N3A N 0.6957(4) 0.9955(3) 0.6235(3) 0.0434(18) Uani 1 1 d . . . . .
C8A C 0.7103(6) 1.0947(4) 0.6221(4) 0.050(2) Uani 1 1 d . . . . .
C9A C 0.6889(7) 1.1561(5) 0.6031(5) 0.069(3) Uani 1 1 d . . . . .
H9A H 0.7113 1.1829 0.6118 0.083 Uiso 1 1 calc R U . . .
C10A C 0.6364(8) 1.1774(5) 0.5725(5) 0.085(4) Uani 1 1 d . . . . .
H10A H 0.6227 1.2190 0.5600 0.102 Uiso 1 1 calc R U . . .
C11A C 0.6021(7) 1.1394(5) 0.5588(5) 0.084(4) Uani 1 1 d . . . . .
H11A H 0.5659 1.1556 0.5369 0.101 Uiso 1 1 calc R U . . .
C12A C 0.6196(6) 1.0795(5) 0.5764(4) 0.060(3) Uani 1 1 d . . . . .
H12A H 0.5949 1.0541 0.5679 0.072 Uiso 1 1 calc R U . . .
C13A C 0.6753(6) 1.0560(4) 0.6073(4) 0.052(2) Uani 1 1 d . . . . .
C14A C 0.7477(5) 0.9776(4) 0.6511(3) 0.043(2) Uani 1 1 d . . . . .
O1B O 0.6506(3) 0.8146(2) 0.6580(2) 0.0321(12) Uani 1 1 d . . . . .
N1B N 0.5835(4) 0.8175(3) 0.6964(3) 0.0317(15) Uani 1 1 d . . . . .
C0B C 0.5304(4) 0.8055(3) 0.6807(3) 0.0325(18) Uani 1 1 d . . . . .
C1B C 0.5298(5) 0.7891(4) 0.6288(3) 0.0366(19) Uani 1 1 d . . . . .
C2B C 0.5851(5) 0.7802(4) 0.5810(3) 0.038(2) Uani 1 1 d . . . . .
H2B H 0.6343 0.7846 0.5779 0.046 Uiso 1 1 calc R U . . .
C3B C 0.5675(6) 0.7647(4) 0.5376(4) 0.049(2) Uani 1 1 d . . . . .
H3B H 0.6053 0.7592 0.5046 0.059 Uiso 1 1 calc R U . . .
C4B C 0.4970(6) 0.7572(5) 0.5408(4) 0.056(3) Uani 1 1 d . . . . .
H4B H 0.4873 0.7450 0.5110 0.068 Uiso 1 1 calc R U . . .
C5B C 0.4404(6) 0.7675(4) 0.5876(4) 0.055(3) Uani 1 1 d . . . . .
H5B H 0.3911 0.7638 0.5899 0.066 Uiso 1 1 calc R U . . .
C6B C 0.4569(5) 0.7837(4) 0.6319(3) 0.043(2) Uani 1 1 d . . . . .
C7B C 0.4092(5) 0.7953(4) 0.6859(4) 0.046(2) Uani 1 1 d . . . . .
N2B N 0.3382(4) 0.7943(4) 0.7056(3) 0.056(2) Uani 1 1 d . . . . .
N3B N 0.4276(4) 0.8215(3) 0.7664(3) 0.0344(15) Uani 1 1 d . . . . .
C8B C 0.3069(5) 0.8080(5) 0.7585(4) 0.055(3) Uani 1 1 d . . . . .
C9B C 0.2327(6) 0.8080(6) 0.7833(4) 0.076(4) Uani 1 1 d . . . . .
H9B H 0.2025 0.7990 0.7637 0.091 Uiso 1 1 calc R U . . .
C10B C 0.2019(6) 0.8205(5) 0.8348(5) 0.074(3) Uani 1 1 d . . . . .
H10B H 0.1504 0.8204 0.8507 0.088 Uiso 1 1 calc R U . . .
C11B C 0.2434(6) 0.8336(4) 0.8653(4) 0.057(3) Uani 1 1 d . . . . .
H11B H 0.2210 0.8419 0.9018 0.068 Uiso 1 1 calc R U . . .
C12B C 0.3189(5) 0.8344(4) 0.8414(4) 0.045(2) Uani 1 1 d . . . . .
H12B H 0.3477 0.8441 0.8616 0.054 Uiso 1 1 calc R U . . .
C13B C 0.3526(5) 0.8212(4) 0.7882(4) 0.042(2) Uani 1 1 d . . . . .
C14B C 0.4542(5) 0.8088(4) 0.7164(3) 0.0348(19) Uani 1 1 d . . . . .
O1C O 0.6853(3) 0.6907(2) 0.7344(2) 0.0357(13) Uani 1 1 d . . . . .
N1C N 0.6195(4) 0.7018(3) 0.7736(3) 0.0333(15) Uani 1 1 d . . . . .
C0C C 0.5663(5) 0.6814(3) 0.7684(3) 0.0325(18) Uani 1 1 d . . . . .
C1C C 0.5619(5) 0.6547(4) 0.7226(3) 0.039(2) Uani 1 1 d . . . . .
C2C C 0.6167(5) 0.6354(4) 0.6766(3) 0.045(2) Uani 1 1 d . . . . .
H2C H 0.6671 0.6392 0.6700 0.054 Uiso 1 1 calc R U . . .
C3C C 0.5953(6) 0.6108(5) 0.6411(4) 0.059(3) Uani 1 1 d . . . . .
H3C H 0.6319 0.5970 0.6097 0.071 Uiso 1 1 calc R U . . .
C4C C 0.5222(7) 0.6055(5) 0.6496(4) 0.067(3) Uani 1 1 d . . . . .
H4C H 0.5094 0.5895 0.6235 0.080 Uiso 1 1 calc R U . . .
C5C C 0.4685(6) 0.6229(4) 0.6945(4) 0.053(3) Uani 1 1 d . . . . .
H5C H 0.4185 0.6189 0.7003 0.064 Uiso 1 1 calc R U . . .
C6C C 0.4883(5) 0.6465(4) 0.7319(4) 0.047(2) Uani 1 1 d . . . . .
C7C C 0.4458(5) 0.6645(4) 0.7848(3) 0.041(2) Uani 1 1 d . . . . .
N2C N 0.3755(4) 0.6606(3) 0.8095(3) 0.0442(18) Uani 1 1 d . . . . .
N3C N 0.4694(4) 0.6992(3) 0.8585(3) 0.0369(16) Uani 1 1 d . . . . .
C8C C 0.3500(5) 0.6772(4) 0.8613(4) 0.042(2) Uani 1 1 d . . . . .
C9C C 0.2772(6) 0.6746(4) 0.8903(4) 0.053(2) Uani 1 1 d . . . . .
H9C H 0.2457 0.6631 0.8736 0.064 Uiso 1 1 calc R U . . .
C10C C 0.2501(6) 0.6884(4) 0.9427(4) 0.053(2) Uani 1 1 d . . . . .
H10C H 0.2006 0.6856 0.9625 0.063 Uiso 1 1 calc R U . . .
C11C C 0.2970(5) 0.7069(4) 0.9670(4) 0.047(2) Uani 1 1 d . . . . .
H11C H 0.2779 0.7175 1.0029 0.056 Uiso 1 1 calc R U . . .
C12C C 0.3675(5) 0.7097(4) 0.9402(3) 0.040(2) Uani 1 1 d . . . . .
H12C H 0.3979 0.7214 0.9577 0.048 Uiso 1 1 calc R U . . .
C13C C 0.3976(5) 0.6954(4) 0.8857(3) 0.039(2) Uani 1 1 d . . . . .
C14C C 0.4922(5) 0.6840(3) 0.8087(3) 0.0373(19) Uani 1 1 d . . . . .
O1D O 0.8348(3) 0.6904(2) 0.7167(2) 0.0355(13) Uani 1 1 d . . . . .
N1D N 0.8629(4) 0.7152(3) 0.7490(3) 0.0377(16) Uani 1 1 d . . . . .
C0D C 0.9307(5) 0.6883(4) 0.7542(3) 0.0355(19) Uani 1 1 d . . . . .
C1D C 0.9647(5) 0.7059(4) 0.7910(3) 0.0358(19) Uani 1 1 d . . . . .
C2D C 0.9373(5) 0.7523(4) 0.8222(4) 0.047(2) Uani 1 1 d . . . . .
H2D H 0.8894 0.7794 0.8211 0.056 Uiso 1 1 calc R U . . .
C3D C 0.9807(6) 0.7585(4) 0.8552(4) 0.052(2) Uani 1 1 d . . . . .
H3D H 0.9623 0.7903 0.8766 0.063 Uiso 1 1 calc R U . . .
C4D C 1.0505(6) 0.7192(4) 0.8573(4) 0.054(3) Uani 1 1 d . . . . .
H4D H 1.0792 0.7238 0.8805 0.064 Uiso 1 1 calc R U . . .
C5D C 1.0781(5) 0.6734(4) 0.8259(4) 0.047(2) Uani 1 1 d . . . . .
H5D H 1.1267 0.6471 0.8262 0.057 Uiso 1 1 calc R U . . .
C6D C 1.0344(5) 0.6660(4) 0.7940(3) 0.040(2) Uani 1 1 d . . . . .
C7D C 1.0482(5) 0.6205(4) 0.7591(3) 0.039(2) Uani 1 1 d . . . . .
N2D N 1.1062(4) 0.5741(3) 0.7499(3) 0.0474(19) Uani 1 1 d . . . . .
N3D N 0.9838(4) 0.6051(3) 0.6950(3) 0.0384(16) Uani 1 1 d . . . . .
C8D C 1.1044(5) 0.5407(4) 0.7131(4) 0.046(2) Uani 1 1 d . . . . .
C9D C 1.1630(6) 0.4900(5) 0.7020(4) 0.065(3) Uani 1 1 d . . . . .
H9D H 1.2024 0.4787 0.7212 0.078 Uiso 1 1 calc R U . . .
C10D C 1.1650(6) 0.4570(5) 0.6651(5) 0.080(4) Uani 1 1 d . . . . .
H10D H 1.2061 0.4229 0.6583 0.095 Uiso 1 1 calc R U . . .
C11D C 1.1090(6) 0.4712(5) 0.6365(4) 0.064(3) Uani 1 1 d . . . . .
H11D H 1.1123 0.4475 0.6098 0.077 Uiso 1 1 calc R U . . .
C12D C 1.0482(5) 0.5197(4) 0.6466(4) 0.051(2) Uani 1 1 d . . . . .
H12D H 1.0087 0.5287 0.6278 0.061 Uiso 1 1 calc R U . . .
C13D C 1.0449(5) 0.5556(4) 0.6847(3) 0.042(2) Uani 1 1 d . . . . .
C14D C 0.9855(5) 0.6349(4) 0.7327(3) 0.0333(18) Uani 1 1 d . . . . .
O1E O 0.7922(5) 0.7130(4) 0.6197(3) 0.067(2) Uani 0.95 1 d . . P . .
N1E N 0.8200(5) 0.7418(4) 0.5780(5) 0.073(3) Uani 0.95 1 d . . P . .
C0E C 0.8202(7) 0.7274(4) 0.5264(4) 0.056(3) Uani 0.95 1 d . . P . .
C1E C 0.7868(6) 0.6944(4) 0.5044(4) 0.054(3) Uani 0.95 1 d . . P . .
C2E C 0.7371(7) 0.6614(5) 0.5293(5) 0.066(3) Uani 0.95 1 d . . P . .
C3E C 0.7111(7) 0.6358(6) 0.4978(5) 0.077(4) Uani 0.95 1 d . . P . .
H3E H 0.6749 0.6131 0.5151 0.093 Uiso 0.95 1 calc R U P . .
C4E C 0.7359(7) 0.6420(5) 0.4412(6) 0.076(4) Uani 0.95 1 d . . P . .
H4E H 0.7168 0.6231 0.4209 0.091 Uiso 0.95 1 calc R U P . .
C5E C 0.7885(7) 0.6753(5) 0.4135(5) 0.068(3) Uani 0.95 1 d . . P . .
H5E H 0.8058 0.6802 0.3748 0.082 Uiso 0.95 1 calc R U P . .
C6E C 0.8142(6) 0.7015(4) 0.4477(4) 0.052(3) Uani 0.95 1 d . . P . .
C7E C 0.8702(6) 0.7366(4) 0.4327(4) 0.049(2) Uani 0.95 1 d . . P . .
N2E N 0.9129(6) 0.7522(4) 0.3865(4) 0.065(3) Uani 0.95 1 d . . P . .
N3E N 0.9169(5) 0.7852(4) 0.4863(4) 0.064(3) Uani 0.95 1 d . . P . .
C8E C 0.9615(9) 0.7823(7) 0.3899(6) 0.093(5) Uani 0.95 1 d . . P . .
C9E C 1.0157(11) 0.7958(8) 0.3415(7) 0.124(7) Uani 0.95 1 d . . P . .
H9E H 1.0141 0.7852 0.3082 0.149 Uiso 0.95 1 calc R U P . .
C10E C 1.0688(10) 0.8228(8) 0.3410(7) 0.125(7) Uani 0.95 1 d . . P . .
H10E H 1.1034 0.8312 0.3075 0.150 Uiso 0.95 1 calc R U P . .
C11E C 1.0744(9) 0.8389(8) 0.3894(8) 0.121(6) Uani 0.95 1 d . . P . .
H11E H 1.1136 0.8562 0.3895 0.145 Uiso 0.95 1 calc R U P . .
C12E C 1.0207(9) 0.8285(6) 0.4363(7) 0.099(5) Uani 0.95 1 d . . P . .
H12E H 1.0211 0.8412 0.4689 0.118 Uiso 0.95 1 calc R U P . .
C13E C 0.9654(7) 0.7998(6) 0.4374(5) 0.070(3) Uani 0.95 1 d . . P . .
C14E C 0.8724(6) 0.7551(5) 0.4819(4) 0.056(3) Uani 0.95 1 d . . P . .
O1F O 0.6419(3) 0.7978(2) 0.8922(2) 0.0395(14) Uani 1 1 d . . . . .
N1F N 0.7017(4) 0.8257(3) 0.8792(3) 0.0418(17) Uani 1 1 d . . . . .
C0F C 0.7234(5) 0.8305(4) 0.9215(4) 0.042(2) Uani 1 1 d . . . . .
C1F C 0.7817(5) 0.8641(4) 0.9148(4) 0.046(2) Uani 1 1 d . . . . .
C2F C 0.8187(6) 0.8944(4) 0.8693(4) 0.053(3) Uani 1 1 d . . . . .
H2F H 0.8117 0.8944 0.8341 0.063 Uiso 1 1 calc R U . . .
C3F C 0.8677(6) 0.9259(5) 0.8761(5) 0.065(3) Uani 1 1 d . . . . .
H3F H 0.8942 0.9473 0.8451 0.078 Uiso 1 1 calc R U . . .
C4F C 0.8772(7) 0.9259(5) 0.9268(5) 0.078(4) Uani 1 1 d . . . . .
H4F H 0.9093 0.9485 0.9303 0.094 Uiso 1 1 calc R U . . .
C5F C 0.8423(7) 0.8947(5) 0.9729(5) 0.074(3) Uani 1 1 d . . . . .
H5F H 0.8515 0.8940 1.0076 0.089 Uiso 1 1 calc R U . . .
C6F C 0.7922(6) 0.8636(4) 0.9674(4) 0.059(3) Uani 1 1 d . . . . .
C7F C 0.7440(6) 0.8291(4) 1.0086(4) 0.053(3) Uani 1 1 d . . . . .
N2F N 0.7389(5) 0.8160(4) 1.0613(4) 0.064(2) Uani 1 1 d . . . . .
N3F N 0.6530(5) 0.7772(3) 1.0066(3) 0.0482(19) Uani 1 1 d . . . . .
C8F C 0.6883(6) 0.7837(5) 1.0888(4) 0.058(3) Uani 1 1 d . . . . .
C9F C 0.6772(8) 0.7689(6) 1.1458(5) 0.083(4) Uani 1 1 d . . . . .
H9F H 0.7050 0.7820 1.1645 0.100 Uiso 1 1 calc R U . . .
C10F C 0.6268(8) 0.7360(6) 1.1747(5) 0.083(4) Uani 1 1 d . . . . .
H10F H 0.6201 0.7260 1.2133 0.099 Uiso 1 1 calc R U . . .
C11F C 0.5848(7) 0.7169(5) 1.1473(4) 0.076(3) Uani 1 1 d . . . . .
H11F H 0.5503 0.6937 1.1675 0.092 Uiso 1 1 calc R U . . .
C12F C 0.5934(6) 0.7312(5) 1.0930(4) 0.064(3) Uani 1 1 d . . . . .
H12F H 0.5642 0.7187 1.0750 0.077 Uiso 1 1 calc R U . . .
C13F C 0.6447(6) 0.7644(4) 1.0627(4) 0.052(2) Uani 1 1 d . . . . .
C14F C 0.7004(5) 0.8105(4) 0.9801(4) 0.046(2) Uani 1 1 d . . . . .
O1G O 0.7326(3) 0.6774(2) 0.8353(2) 0.0402(14) Uani 1 1 d . . . . .
N1G N 0.7714(4) 0.6870(3) 0.8700(3) 0.0472(19) Uani 1 1 d . . . . .
C0G C 0.8305(5) 0.6463(4) 0.8777(3) 0.041(2) Uani 1 1 d . . . . .
C1G C 0.8691(5) 0.6458(4) 0.9206(3) 0.049(2) Uani 1 1 d . . . . .
C2G C 0.8540(6) 0.6853(5) 0.9562(4) 0.062(3) Uani 1 1 d . . . . .
H2G H 0.8150 0.7211 0.9541 0.074 Uiso 1 1 calc R U . . .
C3G C 0.8959(7) 0.6731(6) 0.9960(5) 0.077(3) Uani 1 1 d . . . . .
H3G H 0.8865 0.7012 1.0202 0.092 Uiso 1 1 calc R U . . .
C4G C 0.9511(7) 0.6202(6) 1.0001(4) 0.072(3) Uani 1 1 d . . . . .
H4G H 0.9786 0.6119 1.0277 0.086 Uiso 1 1 calc R U . . .
C5G C 0.9666(6) 0.5796(5) 0.9649(4) 0.060(3) Uani 1 1 d . . . . .
H5G H 1.0044 0.5433 0.9681 0.072 Uiso 1 1 calc R U . . .
C6G C 0.9266(6) 0.5921(5) 0.9247(4) 0.054(2) Uani 1 1 d . . . . .
C7G C 0.9295(5) 0.5586(4) 0.8824(4) 0.054(3) Uani 1 1 d . . . . .
N2G N 0.9764(5) 0.5076(4) 0.8707(4) 0.060(2) Uani 1 1 d . . . . .
N3G N 0.8592(4) 0.5709(3) 0.8127(3) 0.0424(18) Uani 1 1 d . . . . .
C8G C 0.9645(6) 0.4860(4) 0.8297(4) 0.057(3) Uani 1 1 d . . . . .
C9G C 1.0125(7) 0.4312(5) 0.8146(5) 0.074(3) Uani 1 1 d . . . . .
H9G H 1.0518 0.4109 0.8330 0.089 Uiso 1 1 calc R U . . .
C10G C 1.0034(8) 0.4058(5) 0.7727(6) 0.092(4) Uani 1 1 d . . . . .
H10G H 1.0379 0.3700 0.7615 0.110 Uiso 1 1 calc R U . . .
C11G C 0.9449(7) 0.4329(5) 0.7484(4) 0.064(3) Uani 1 1 d . . . . .
H11G H 0.9371 0.4137 0.7222 0.077 Uiso 1 1 calc R U . . .
C12G C 0.8954(6) 0.4880(4) 0.7602(4) 0.061(3) Uani 1 1 d . . . . .
H12G H 0.8556 0.5066 0.7418 0.073 Uiso 1 1 calc R U . . .
C13G C 0.9067(6) 0.5152(4) 0.8004(4) 0.054(3) Uani 1 1 d . . . . .
C14G C 0.8707(5) 0.5899(4) 0.8527(3) 0.042(2) Uani 1 1 d . . . . .
O1H O 0.7915(4) 0.8675(3) 0.5306(3) 0.0567(17) Uani 1 1 d . . . . .
N1H N 0.7176(4) 0.8871(3) 0.5487(3) 0.0427(17) Uani 1 1 d . . . . .
C0H C 0.6753(5) 0.8989(4) 0.5141(4) 0.039(2) Uani 1 1 d . . . . .
C1H C 0.6882(5) 0.8898(4) 0.4565(4) 0.046(2) Uani 1 1 d . . . . .
C2H C 0.7532(6) 0.8729(4) 0.4178(4) 0.057(3) Uani 1 1 d . . . . .
H2H H 0.8018 0.8655 0.4250 0.069 Uiso 1 1 calc R U . . .
C3H C 0.7445(7) 0.8671(5) 0.3674(4) 0.071(3) Uani 1 1 d . . . . .
H3H H 0.7886 0.8556 0.3395 0.085 Uiso 1 1 calc R U . . .
C4H C 0.6738(8) 0.8774(5) 0.3558(4) 0.069(3) Uani 1 1 d . . . . .
H4H H 0.6710 0.8725 0.3207 0.083 Uiso 1 1 calc R U . . .
C5H C 0.6084(7) 0.8946(4) 0.3944(4) 0.061(3) Uani 1 1 d . . . . .
H5H H 0.5602 0.9014 0.3868 0.074 Uiso 1 1 calc R U . . .
C6H C 0.6150(6) 0.9017(4) 0.4455(4) 0.046(2) Uani 1 1 d . . . . .
C7H C 0.5557(6) 0.9174(4) 0.4954(4) 0.049(2) Uani 1 1 d . . . . .
N2H N 0.4813(5) 0.9297(3) 0.5053(4) 0.056(2) Uani 1 1 d . . . . .
N3H N 0.5604(4) 0.9282(3) 0.5856(3) 0.0420(17) Uani 1 1 d . . . . .
C8H C 0.4440(5) 0.9395(4) 0.5576(4) 0.047(2) Uani 1 1 d . . . . .
C9H C 0.3652(6) 0.9497(4) 0.5714(5) 0.057(3) Uani 1 1 d . . . . .
H9H H 0.3395 0.9509 0.5441 0.068 Uiso 1 1 calc R U . . .
C10H C 0.3249(6) 0.9578(4) 0.6225(5) 0.062(3) Uani 1 1 d . . . . .
H10H H 0.2715 0.9634 0.6315 0.075 Uiso 1 1 calc R U . . .
C11H C 0.3628(6) 0.9579(5) 0.6629(5) 0.068(3) Uani 1 1 d . . . . .
H11H H 0.3344 0.9640 0.6990 0.081 Uiso 1 1 calc R U . . .
C12H C 0.4408(6) 0.9491(4) 0.6505(4) 0.058(3) Uani 1 1 d . . . . .
H12H H 0.4654 0.9500 0.6778 0.069 Uiso 1 1 calc R U . . .
C13H C 0.4828(5) 0.9392(4) 0.5983(4) 0.044(2) Uani 1 1 d . . . . .
C14H C 0.5938(5) 0.9175(4) 0.5363(4) 0.041(2) Uani 1 1 d . . . . .
O1I O 0.6104(4) 0.9301(3) 0.7935(3) 0.068(2) Uani 1 1 d . . . . .
N1I N 0.5886(5) 0.9241(4) 0.8445(4) 0.066(2) Uani 1 1 d . . . . .
C0I C 0.6080(6) 0.9595(5) 0.8715(6) 0.071(4) Uani 1 1 d . . . . .
C1I C 0.6552(7) 1.0001(5) 0.8534(5) 0.070(3) Uani 1 1 d . . . . .
C2I C 0.6863(7) 1.0274(6) 0.8047(6) 0.084(4) Uani 1 1 d . . . . .
H2I H 0.6784 1.0187 0.7725 0.101 Uiso 1 1 calc R U . . .
C3I C 0.7305(8) 1.0686(7) 0.7989(6) 0.103(5) Uani 1 1 d . . . . .
H3I H 0.7518 1.0877 0.7642 0.124 Uiso 1 1 calc R U . . .
C4I C 0.7408(8) 1.0795(7) 0.8489(8) 0.113(6) Uani 1 1 d . . . . .
H4I H 0.7698 1.1069 0.8467 0.136 Uiso 1 1 calc R U . . .
C5I C 0.7105(8) 1.0522(7) 0.9008(7) 0.100(5) Uani 1 1 d . . . . .
H5I H 0.7192 1.0596 0.9331 0.120 Uiso 1 1 calc R U . . .
C6I C 0.6666(7) 1.0130(5) 0.9023(6) 0.084(4) Uani 1 1 d . . . . .
C7I C 0.6263(7) 0.9798(5) 0.9496(6) 0.073(3) Uani 1 1 d . . . . .
N2I N 0.6228(7) 0.9747(4) 1.0007(5) 0.082(3) Uani 1 1 d . . . . .
N3I N 0.5456(5) 0.9137(4) 0.9585(5) 0.073(3) Uani 1 1 d . . . . .
C8I C 0.5789(8) 0.9388(6) 1.0352(6) 0.080(4) Uani 1 1 d . . . . .
C9I C 0.5751(10) 0.9320(7) 1.0902(6) 0.097(5) Uani 1 1 d . . . . .
H9I H 0.6047 0.9496 1.1034 0.116 Uiso 1 1 calc R U . . .
C10I C 0.5304(10) 0.9009(6) 1.1243(7) 0.104(6) Uani 1 1 d . . . . .
H10I H 0.5276 0.8969 1.1624 0.124 Uiso 1 1 calc R U . . .
C11I C 0.4855(8) 0.8726(6) 1.1066(6) 0.096(5) Uani 1 1 d . . . . .
H11I H 0.4527 0.8511 1.1325 0.115 Uiso 1 1 calc R U . . .
C12I C 0.4906(8) 0.8771(6) 1.0526(6) 0.084(4) Uani 1 1 d . . . . .
H12I H 0.4619 0.8578 1.0405 0.101 Uiso 1 1 calc R U . . .
C13I C 0.5367(8) 0.9091(5) 1.0145(6) 0.082(4) Uani 1 1 d . . . . .
C14I C 0.5884(7) 0.9479(5) 0.9289(5) 0.063(3) Uani 1 1 d . . . . .
O1J O 0.5041(4) 0.7634(3) 0.9884(2) 0.0500(16) Uani 1 1 d . . . . .
N1J N 0.4740(4) 0.8119(3) 0.9576(3) 0.0416(17) Uani 1 1 d . . . . .
C0J C 0.4014(5) 0.8364(4) 0.9719(4) 0.043(2) Uani 1 1 d . . . . .
C1J C 0.3376(5) 0.8233(4) 1.0148(4) 0.048(2) Uani 1 1 d . . . . .
C2J C 0.3336(6) 0.7799(5) 1.0602(4) 0.057(3) Uani 1 1 d . . . . .
H2J H 0.3781 0.7520 1.0680 0.068 Uiso 1 1 calc R U . . .
C3J C 0.2615(7) 0.7780(5) 1.0948(4) 0.067(3) Uani 1 1 d . . . . .
H3J H 0.2578 0.7484 1.1260 0.080 Uiso 1 1 calc R U . . .
C4J C 0.1966(7) 0.8185(5) 1.0836(5) 0.066(3) Uani 1 1 d . . . . .
H4J H 0.1487 0.8162 1.1070 0.079 Uiso 1 1 calc R U . . .
C5J C 0.2008(6) 0.8625(5) 1.0387(4) 0.061(3) Uani 1 1 d . . . . .
H5J H 0.1561 0.8906 1.0315 0.074 Uiso 1 1 calc R U . . .
C6J C 0.2709(5) 0.8653(4) 1.0041(4) 0.053(3) Uani 1 1 d . . . . .
C7J C 0.2915(6) 0.9085(4) 0.9546(4) 0.049(2) Uani 1 1 d . . . . .
N2J N 0.2492(5) 0.9557(4) 0.9304(4) 0.065(2) Uani 1 1 d . . . . .
N3J N 0.4121(4) 0.9145(3) 0.8936(3) 0.0438(18) Uani 1 1 d . . . . .
C8J C 0.2913(6) 0.9822(5) 0.8847(5) 0.060(3) Uani 1 1 d . . . . .
C9J C 0.2526(8) 1.0323(5) 0.8545(5) 0.083(4) Uani 1 1 d . . . . .
H9J H 0.1993 1.0464 0.8671 0.100 Uiso 1 1 calc R U . . .
C10J C 0.2880(8) 1.0610(6) 0.8083(6) 0.097(4) Uani 1 1 d . . . . .
H10J H 0.2600 1.0952 0.7894 0.116 Uiso 1 1 calc R U . . .
C11J C 0.3659(8) 1.0406(5) 0.7882(5) 0.078(3) Uani 1 1 d . . . . .
H11J H 0.3907 1.0601 0.7549 0.093 Uiso 1 1 calc R U . . .
C12J C 0.4061(6) 0.9930(5) 0.8160(4) 0.059(3) Uani 1 1 d . . . . .
H12J H 0.4592 0.9797 0.8026 0.070 Uiso 1 1 calc R U . . .
C13J C 0.3700(5) 0.9632(4) 0.8643(4) 0.049(2) Uani 1 1 d . . . . .
C14J C 0.3728(5) 0.8893(4) 0.9359(4) 0.041(2) Uani 1 1 d . . . . .
O1K O 0.6731(4) 0.6620(3) 0.9887(2) 0.0510(16) Uani 1 1 d . . . . .
N1K N 0.6972(4) 0.6110(3) 0.9648(3) 0.0462(19) Uani 1 1 d . . . . .
C0K C 0.7401(6) 0.5661(5) 0.9893(4) 0.055(3) Uani 1 1 d . . . . .
C1K C 0.7641(5) 0.5597(5) 1.0413(4) 0.054(3) Uani 1 1 d . . . . .
C2K C 0.7466(6) 0.5979(6) 1.0792(4) 0.071(3) Uani 1 1 d . . . . .
H2K H 0.7152 0.6371 1.0742 0.085 Uiso 1 1 calc R U . . .
C3K C 0.7771(7) 0.5762(7) 1.1255(5) 0.096(5) Uani 1 1 d . . . . .
H3K H 0.7644 0.6015 1.1527 0.116 Uiso 1 1 calc R U . . .
C4K C 0.8233(7) 0.5215(7) 1.1336(5) 0.096(5) Uani 1 1 d . . . . .
H4K H 0.8438 0.5096 1.1652 0.115 Uiso 1 1 calc R U . . .
C5K C 0.8411(6) 0.4825(6) 1.0952(5) 0.078(4) Uani 1 1 d . . . . .
H5K H 0.8734 0.4436 1.1002 0.094 Uiso 1 1 calc R U . . .
C6K C 0.8105(6) 0.5018(5) 1.0495(4) 0.067(3) Uani 1 1 d . . . . .
C7K C 0.8178(6) 0.4712(5) 1.0046(5) 0.069(3) Uani 1 1 d . . . . .
N2K N 0.8568(6) 0.4178(5) 0.9944(4) 0.087(3) Uani 1 1 d . . . . .
N3K N 0.7641(5) 0.4963(4) 0.9232(4) 0.059(2) Uani 1 1 d . . . . .
C8K C 0.8481(7) 0.4013(5) 0.9493(6) 0.077(4) Uani 1 1 d . . . . .
C9K C 0.8886(9) 0.3440(6) 0.9333(7) 0.113(6) Uani 1 1 d . . . . .
H9K H 0.9235 0.3184 0.9537 0.135 Uiso 1 1 calc R U . . .
C10K C 0.8789(11) 0.3250(7) 0.8903(8) 0.119(7) Uani 1 1 d . . . . .
H10K H 0.9033 0.2851 0.8837 0.143 Uiso 1 1 calc R U . . .
C11K C 0.8346(11) 0.3616(8) 0.8554(8) 0.128(7) Uani 1 1 d . . . . .
H11K H 0.8312 0.3486 0.8238 0.154 Uiso 1 1 calc R U . . .
C12K C 0.7945(7) 0.4196(6) 0.8693(6) 0.088(4) Uani 1 1 d . . . . .
H12K H 0.7613 0.4449 0.8476 0.106 Uiso 1 1 calc R U . . .
C13K C 0.8021(7) 0.4400(5) 0.9126(5) 0.072(3) Uani 1 1 d . . . . .
C14K C 0.7726(6) 0.5104(5) 0.9674(4) 0.055(3) Uani 1 1 d . . . . .
O1L O 0.6879(4) 0.5842(3) 0.8279(3) 0.0550(17) Uani 1 1 d . . . . .
N1L N 0.6579(5) 0.5524(4) 0.8067(4) 0.064(2) Uani 1 1 d . . . . .
C0L C 0.5927(6) 0.5396(4) 0.8392(4) 0.052(2) Uani 1 1 d . . . . .
C1L C 0.5531(6) 0.5080(4) 0.8177(5) 0.063(3) Uani 1 1 d . . . . .
C2L C 0.5709(7) 0.4838(5) 0.7705(5) 0.073(3) Uani 1 1 d . . . . .
H2L H 0.6173 0.4847 0.7444 0.087 Uiso 1 1 calc R U . . .
C3L C 0.5192(8) 0.4577(6) 0.7617(5) 0.084(4) Uani 1 1 d . . . . .
H3L H 0.5308 0.4407 0.7290 0.101 Uiso 1 1 calc R U . . .
C4L C 0.4519(8) 0.4558(6) 0.7987(6) 0.085(4) Uani 1 1 d . . . . .
H4L H 0.4175 0.4382 0.7910 0.102 Uiso 1 1 calc R U . . .
C5L C 0.4341(7) 0.4785(5) 0.8459(5) 0.071(3) Uani 1 1 d . . . . .
H5L H 0.3877 0.4768 0.8717 0.085 Uiso 1 1 calc R U . . .
C6L C 0.4856(6) 0.5052(5) 0.8566(5) 0.066(3) Uani 1 1 d . . . . .
C7L C 0.4806(6) 0.5319(4) 0.9038(5) 0.058(3) Uani 1 1 d . . . . .
N2L N 0.4276(5) 0.5392(3) 0.9482(4) 0.059(2) Uani 1 1 d . . . . .
N3L N 0.5625(4) 0.5785(3) 0.9280(3) 0.050(2) Uani 1 1 d . . . . .
C8L C 0.4404(6) 0.5666(4) 0.9856(5) 0.057(3) Uani 1 1 d . . . . .
C9L C 0.3840(6) 0.5767(5) 1.0354(5) 0.066(3) Uani 1 1 d . . . . .
H9L H 0.3388 0.5640 1.0421 0.079 Uiso 1 1 calc R U . . .
C10L C 0.3945(7) 0.6038(5) 1.0726(5) 0.067(3) Uani 1 1 d . . . . .
H10X H 0.3570 0.6098 1.1056 0.080 Uiso 1 1 calc R U . . .
C11L C 0.4612(7) 0.6234(4) 1.0629(5) 0.064(3) Uani 1 1 d . . . . .
H11X H 0.4676 0.6434 1.0891 0.077 Uiso 1 1 calc R U . . .
C12L C 0.5162(6) 0.6139(4) 1.0163(4) 0.060(3) Uani 1 1 d . . . . .
H12X H 0.5616 0.6258 1.0110 0.072 Uiso 1 1 calc R U . . .
C13L C 0.5070(6) 0.5869(4) 0.9762(4) 0.055(3) Uani 1 1 d . . . . .
C14L C 0.5493(6) 0.5525(4) 0.8931(4) 0.053(3) Uani 1 1 d . . . . .
O1N O 0.7848(4) 0.5820(3) 0.7090(3) 0.0620(18) Uani 1 1 d . . . . .
N1N N 0.8345(5) 0.5921(3) 0.6651(4) 0.054(2) Uani 1 1 d . . . . .
C0N C 0.8399(6) 0.5623(5) 0.6238(4) 0.060(3) Uani 1 1 d . . . . .
C1N C 0.8040(7) 0.5218(5) 0.6129(5) 0.066(3) Uani 1 1 d . . . . .
C2N C 0.7538(7) 0.4922(6) 0.6466(6) 0.089(4) Uani 1 1 d . . . . .
H2N H 0.7360 0.4972 0.6841 0.107 Uiso 1 1 calc R U . . .
C3N C 0.7300(9) 0.4565(8) 0.6266(6) 0.115(6) Uani 1 1 d . . . . .
H3N H 0.6969 0.4342 0.6509 0.139 Uiso 1 1 calc R U . . .
C4N C 0.7501(8) 0.4498(7) 0.5733(8) 0.112(6) Uani 1 1 d . . . . .
H4N H 0.7280 0.4253 0.5610 0.134 Uiso 1 1 calc R U . . .
C5N C 0.8031(9) 0.4783(6) 0.5349(6) 0.101(5) Uani 1 1 d . . . . .
H5N H 0.8185 0.4739 0.4972 0.121 Uiso 1 1 calc R U . . .
C6N C 0.8304(6) 0.5131(5) 0.5579(5) 0.068(3) Uani 1 1 d . . . . .
C7N C 0.8872(6) 0.5486(5) 0.5319(4) 0.067(3) Uani 1 1 d . . . . .
N2N N 0.9296(6) 0.5554(4) 0.4808(4) 0.070(3) Uani 1 1 d . . . . .
N3N N 0.9383(4) 0.6117(3) 0.5675(3) 0.049(2) Uani 1 1 d . . . . .
C8N C 0.9758(7) 0.5905(5) 0.4726(4) 0.069(3) Uani 1 1 d . . . . .
C9N C 1.0193(8) 0.5990(6) 0.4201(5) 0.087(4) Uani 1 1 d . . . . .
H9N H 1.0147 0.5802 0.3923 0.104 Uiso 1 1 calc R U . . .
C10N C 1.0685(9) 0.6341(6) 0.4078(5) 0.104(5) Uani 1 1 d . . . . .
H10N H 1.0970 0.6402 0.3712 0.125 Uiso 1 1 calc R U . . .
C11N C 1.0784(9) 0.6619(6) 0.4481(6) 0.099(5) Uani 1 1 d . . . . .
H11N H 1.1137 0.6858 0.4390 0.119 Uiso 1 1 calc R U . . .
C12N C 1.0344(8) 0.6534(5) 0.5025(4) 0.080(4) Uani 1 1 d . . . . .
H12N H 1.0403 0.6720 0.5299 0.095 Uiso 1 1 calc R U . . .
C13N C 0.9826(7) 0.6181(5) 0.5164(5) 0.063(3) Uani 1 1 d . . . . .
C14N C 0.8929(5) 0.5778(4) 0.5732(4) 0.048(2) Uani 1 1 d . . . . .
O1O O 0.9731(4) 0.7034(3) 0.6237(3) 0.0608(18) Uani 1 1 d . . . . .
N1O N 0.9561(4) 0.7595(4) 0.6048(3) 0.052(2) Uani 1 1 d . . . . .
C0O C 1.0047(5) 0.7913(5) 0.6062(4) 0.054(3) Uani 1 1 d . . . . .
C1O C 1.0714(6) 0.7786(6) 0.6283(4) 0.071(3) Uani 1 1 d . . . . .
C2O C 1.1137(7) 0.7263(7) 0.6501(4) 0.090(4) Uani 1 1 d . . . . .
H2O H 1.0994 0.6903 0.6531 0.108 Uiso 1 1 calc R U . . .
C3O C 1.1748(8) 0.7244(8) 0.6674(5) 0.104(5) Uani 1 1 d . . . . .
H3O H 1.2032 0.6879 0.6831 0.125 Uiso 1 1 calc R U . . .
C4O C 1.1947(8) 0.7762(8) 0.6618(6) 0.094(4) Uani 1 1 d . . . . .
H4O H 1.2395 0.7737 0.6727 0.112 Uiso 1 1 calc R U . . .
C5O C 1.1555(7) 0.8335(9) 0.6414(5) 0.108(6) Uani 1 1 d . . . . .
H5O H 1.1701 0.8691 0.6397 0.129 Uiso 1 1 calc R U . . .
C6O C 1.0899(7) 0.8316(7) 0.6232(4) 0.074(4) Uani 1 1 d . . . . .
C7O C 1.0353(7) 0.8790(6) 0.6006(4) 0.060(3) Uani 1 1 d . . . . .
N2O N 1.0244(6) 0.9358(6) 0.5926(4) 0.075(3) Uani 1 1 d . . . . .
N3O N 0.9258(5) 0.8807(4) 0.5655(3) 0.049(2) Uani 1 1 d . . . . .
C8O C 0.9659(7) 0.9692(5) 0.5710(5) 0.071(4) Uani 1 1 d . . . . .
C9O C 0.9505(8) 1.0321(7) 0.5601(5) 0.090(4) Uani 1 1 d . . . . .
H9O H 0.9804 1.0519 0.5704 0.108 Uiso 1 1 calc R U . . .
C10O C 0.8948(8) 1.0647(6) 0.5355(5) 0.077(4) Uani 1 1 d . . . . .
H10O H 0.8862 1.1069 0.5306 0.092 Uiso 1 1 calc R U . . .
C11O C 0.8480(7) 1.0411(5) 0.5166(4) 0.068(3) Uani 1 1 d . . . . .
H11O H 0.8114 1.0662 0.4975 0.082 Uiso 1 1 calc R U . . .
C12O C 0.8577(7) 0.9782(5) 0.5270(4) 0.072(3) Uani 1 1 d . . . . .
H12O H 0.8258 0.9606 0.5164 0.087 Uiso 1 1 calc R U . . .
C13O C 0.9153(6) 0.9419(5) 0.5536(4) 0.063(3) Uani 1 1 d . . . . .
C14O C 0.9836(6) 0.8529(5) 0.5883(4) 0.054(3) Uani 1 1 d . . . . .
O1M O 0.5885(3) 0.9300(2) 0.6957(2) 0.0418(14) Uani 0.4 1 d . . P A 1
C1M C 0.5555(15) 0.9979(11) 0.6957(12) 0.069(8) Uani 0.4 1 d . . P A 1
H1M1 H 0.5208 1.0055 0.7311 0.104 Uiso 0.4 1 calc R U P A 1
H1M2 H 0.5278 1.0140 0.6666 0.104 Uiso 0.4 1 calc R U P A 1
H1M3 H 0.5967 1.0173 0.6893 0.104 Uiso 0.4 1 calc R U P A 1
O1W O 0.5885(3) 0.9300(2) 0.6957(2) 0.0418(14) Uani 0.6 1 d . . P A 2
H1W H 0.5553 0.9685 0.6992 0.050 Uiso 0.6 1 calc R U P A 2
O2W O 0.5681(19) 1.0400(15) 0.7266(10) 0.054(9) Uani 0.2 1 d . . P B 2
Cl1 Cl 1.3844(4) 0.4062(3) 0.6912(3) 0.158(2) Uani 1 1 d . . . . .
O11 O 1.4086(17) 0.4655(9) 0.6617(8) 0.357(17) Uani 1 1 d . . . . .
O21 O 1.4464(9) 0.3531(7) 0.7081(6) 0.188(6) Uani 1 1 d . . . . .
O31 O 1.3543(11) 0.3929(10) 0.6519(11) 0.351(16) Uani 1 1 d . . . . .
O41 O 1.3283(8) 0.4165(9) 0.7417(6) 0.225(9) Uani 1 1 d . . . . .
Cl2 Cl 0.7924(7) 0.3106(6) 0.7389(5) 0.188(4) Uiso 0.65 1 d . . P . .
O12 O 0.8330(15) 0.2519(11) 0.7753(10) 0.184(9) Uiso 0.65 1 d . . P . .
O22 O 0.7134(18) 0.3380(13) 0.7796(12) 0.227(11) Uiso 0.65 1 d . . P . .
O32 O 0.7845(17) 0.2994(13) 0.6868(13) 0.232(12) Uiso 0.65 1 d . . P . .
O42 O 0.850(2) 0.3419(15) 0.7245(14) 0.272(15) Uiso 0.65 1 d . . P . .
Cl21 Cl 0.784(2) 0.2574(18) 0.7499(15) 0.186(12) Uiso 0.2 1 d . . P . .
Cl22 Cl 0.756(3) 0.228(2) 0.722(2) 0.196(17) Uiso 0.15 1 d . . P . .
O2M O 0.2726(4) 0.6343(4) 0.7589(3) 0.078(2) Uani 1 1 d . . . . .
H2M H 0.3080 0.6460 0.7631 0.118 Uiso 1 1 d R U . . .
C2M C 0.2902(7) 0.5722(5) 0.7665(6) 0.099(5) Uani 1 1 d . . . . .
H2M1 H 0.2855 0.5572 0.8056 0.149 Uiso 1 1 d R U . . .
H2M2 H 0.3422 0.5569 0.7464 0.149 Uiso 1 1 d R U . . .
H2M3 H 0.2553 0.5588 0.7528 0.149 Uiso 1 1 d R U . . .
O3M O 0.2362(8) 0.2667(9) 0.7389(5) 0.199(7) Uani 1 1 d . . . . .
H3M H 0.1945 0.2666 0.7328 0.298 Uiso 1 1 d R U . . .
C3M C 0.2237(16) 0.3247(12) 0.7537(11) 0.226(12) Uiso 1 1 d . . . . .
H3M1 H 0.2662 0.3402 0.7302 0.339 Uiso 1 1 d R U . . .
H3M2 H 0.2247 0.3215 0.7922 0.339 Uiso 1 1 d R U . . .
H3M3 H 0.1759 0.3517 0.7473 0.339 Uiso 1 1 d R U . . .
O4M O 0.4644(17) 1.1384(11) 0.7238(11) 0.137(9) Uiso 0.5 1 d D . P C 20
H4M H 0.4283 1.1676 0.7179 0.206 Uiso 0.5 1 d R U P C 20
C4M C 0.518(2) 1.1618(17) 0.7345(18) 0.26(5) Uani 0.5 1 d D . P C 20
H4M1 H 0.5504 1.1306 0.7555 0.389 Uiso 0.5 1 calc R U P C 20
H4M2 H 0.4922 1.1951 0.7556 0.389 Uiso 0.5 1 calc R U P C 20
H4M3 H 0.5497 1.1761 0.6998 0.389 Uiso 0.5 1 calc R U P C 20
O5M O 0.6093(15) 0.2982(10) 0.8172(11) 0.142(10) Uani 0.5 1 d . . P D 11
H5M H 0.5779 0.3250 0.8024 0.213 Uiso 0.5 1 calc R U P D 11
C5M C 0.620(3) 0.249(2) 0.7996(17) 0.20(2) Uani 0.5 1 d . . P D 11
H5M1 H 0.6704 0.2393 0.7757 0.298 Uiso 0.5 1 calc R U P D 11
H5M2 H 0.5816 0.2535 0.7789 0.298 Uiso 0.5 1 calc R U P D 11
H5M3 H 0.6147 0.2174 0.8306 0.298 Uiso 0.5 1 calc R U P D 11
O6M O 0.3868(12) 1.2176(12) 0.6911(10) 0.142(10) Uani 0.5 1 d . . P E 11
H6M H 0.3407 1.2321 0.7061 0.213 Uiso 0.5 1 d R U P E 11
C6M C 0.4153(17) 1.2491(13) 0.6330(15) 0.127(14) Uani 0.5 1 d . . P E 11
H6M1 H 0.4158 1.2903 0.6337 0.190 Uiso 0.5 1 d R U P E 11
H6M2 H 0.3805 1.2492 0.6111 0.190 Uiso 0.5 1 d R U P E 11
H6M3 H 0.4665 1.2268 0.6169 0.190 Uiso 0.5 1 d R U P E 11
O7M O 0.0485(13) 0.8104(9) 0.9824(9) 0.244(12) Uani 1 1 d . . . F 11
H7M H 0.0877 0.7900 0.9929 0.366 Uiso 1 1 calc R U . F 11
C7M C 0.0290(14) 0.8613(14) 0.9976(12) 0.219(15) Uani 1 1 d . . . F 11
H7M1 H 0.0218 0.8551 1.0375 0.329 Uiso 1 1 d R U . F 11
H7M2 H -0.0186 0.8846 0.9878 0.329 Uiso 1 1 d R U . F 11
H7M3 H 0.0683 0.8830 0.9808 0.329 Uiso 1 1 d R U . F 11
O8M O 0.1302(7) -0.0183(6) 0.6288(6) 0.147(5) Uani 1 1 d . . . G 11
H8M H 0.0991 -0.0312 0.6198 0.221 Uiso 1 1 calc R U . G 11
C8M C 0.1007(10) 0.0422(8) 0.6332(7) 0.127(6) Uani 1 1 d . . . G 11
H8M1 H 0.0493 0.0484 0.6565 0.191 Uiso 1 1 d R U . G 11
H8M2 H 0.0992 0.0648 0.5968 0.191 Uiso 1 1 d R U . G 11
H8M3 H 0.1326 0.0560 0.6495 0.191 Uiso 1 1 d R U . G 11
O9M O 0.1592(19) 0.7838(14) 0.4917(13) 0.121(10) Uiso 0.35 1 d . . P H 1
H9M H 0.1756 0.7641 0.4653 0.182 Uiso 0.35 1 calc R U P H 1
C9M C 0.223(3) 0.775(2) 0.5216(17) 0.108(14) Uiso 0.35 1 d . . P H 1
H9M1 H 0.2496 0.8063 0.5068 0.163 Uiso 0.35 1 calc R U P H 1
H9M2 H 0.2589 0.7357 0.5162 0.163 Uiso 0.35 1 calc R U P H 1
H9M3 H 0.2010 0.7757 0.5608 0.163 Uiso 0.35 1 calc R U P H 1
O10M O 0.2010(14) 0.7413(11) 0.5017(10) 0.114(8) Uiso 0.4 1 d D . P I 2
H10M H 0.2141 0.7476 0.5282 0.171 Uiso 0.4 1 calc R U P I 2
C10M C 0.2579(14) 0.6972(10) 0.4753(10) 0.058(6) Uiso 0.4 1 d D . P I 2
H10L H 0.3054 0.6932 0.4855 0.088 Uiso 0.4 1 calc R U P I 2
H10Q H 0.2647 0.7083 0.4356 0.088 Uiso 0.4 1 calc R U P I 2
H10R H 0.2435 0.6592 0.4863 0.088 Uiso 0.4 1 calc R U P I 2
O3W O 0.0968(10) 0.2651(7) 0.7194(5) 0.149(6) Uani 0.8 1 d . . P J 3
O4W O 0.0572(12) 0.9070(11) 1.1936(9) 0.146(10) Uani 0.55 1 d . . P K 3
O5W O 0.014(3) 0.8992(19) 1.1927(18) 0.102(14) Uiso 0.25 1 d . . P K 3
O6W O 0.009(3) 0.929(2) 1.225(2) 0.103(15) Uiso 0.2 1 d . . P K 3
O7W O 0.1662(14) 0.9729(9) 0.7627(9) 0.123(7) Uiso 0.5 1 d . . P L 3
O8W O 0.0913(14) 0.9715(10) 0.7902(9) 0.128(7) Uiso 0.5 1 d . . P L 3
O11M O 0.571(2) 0.5463(17) 0.5206(16) 0.179(15) Uiso 0.4 1 d . . P M 4
H11M H 0.5451 0.5565 0.4972 0.269 Uiso 0.4 1 calc R U P M 4
C11M C 0.544(3) 0.4881(19) 0.5677(17) 0.134(15) Uiso 0.4 1 d . . P M 4
H11L H 0.5630 0.4844 0.6006 0.201 Uiso 0.4 1 calc R U P M 4
H11Q H 0.5661 0.4509 0.5517 0.201 Uiso 0.4 1 calc R U P M 4
H11R H 0.4891 0.4961 0.5775 0.201 Uiso 0.4 1 calc R U P M 4
O12M O 0.638(3) 0.534(2) 0.4527(16) 0.096(13) Uiso 0.2 1 d D . P N 5
H12M H 0.6545 0.5010 0.4408 0.144 Uiso 0.2 1 calc R U P N 5
C12M C 0.614(4) 0.525(3) 0.5098(16) 0.065(15) Uiso 0.2 1 d D . P N 5
H12L H 0.6474 0.5358 0.5265 0.097 Uiso 0.2 1 calc R U P N 5
H12Q H 0.6141 0.4826 0.5221 0.097 Uiso 0.2 1 calc R U P N 5
H12R H 0.5619 0.5494 0.5208 0.097 Uiso 0.2 1 calc R U P N 5
C13M C 0.747(5) 0.429(3) 0.423(4) 0.12(3) Uiso 0.2 1 d D . P O 6
H13A H 0.7975 0.4250 0.4280 0.187 Uiso 0.2 1 calc R U P O 6
H13B H 0.7502 0.4260 0.3848 0.187 Uiso 0.2 1 calc R U P O 6
H13C H 0.7261 0.3964 0.4469 0.187 Uiso 0.2 1 calc R U P O 6
O13M O 0.699(2) 0.4838(18) 0.4365(16) 0.078(11) Uiso 0.2 1 d D . P O 6
H13M H 0.6801 0.4807 0.4703 0.117 Uiso 0.2 1 calc R U P O 6
O14M O 0.4061(17) 0.6610(13) 0.5072(12) 0.134(10) Uiso 0.4 1 d . . P P 7
H14M H 0.4016 0.6980 0.5018 0.201 Uiso 0.4 1 calc R U P P 7
C14M C 0.375(2) 0.6430(17) 0.5637(15) 0.112(12) Uiso 0.4 1 d . . P P 7
H14A H 0.4026 0.6523 0.5864 0.168 Uiso 0.4 1 calc R U P P 7
H14B H 0.3792 0.5999 0.5699 0.168 Uiso 0.4 1 calc R U P P 7
H14C H 0.3214 0.6643 0.5734 0.168 Uiso 0.4 1 calc R U P P 7
O15M O 0.513(3) 0.6468(19) 0.4537(17) 0.098(14) Uiso 0.2 1 d D . P Q 8
H15M H 0.5301 0.6239 0.4297 0.148 Uiso 0.2 1 calc R U P Q 8
C15M C 0.482(4) 0.616(3) 0.5033(19) 0.083(18) Uiso 0.2 1 d D . P Q 8
H15A H 0.4894 0.6311 0.5336 0.124 Uiso 0.2 1 calc R U P Q 8
H15B H 0.5072 0.5733 0.5044 0.124 Uiso 0.2 1 calc R U P Q 8
H15C H 0.4277 0.6218 0.5067 0.124 Uiso 0.2 1 calc R U P Q 8
O16M O 0.0731(18) 0.9542(13) 0.9138(12) 0.143(10) Uiso 0.4 1 d D . P R 9
H16M H 0.1096 0.9278 0.9233 0.214 Uiso 0.4 1 calc R U P R 9
C16M C 0.059(3) 1.0036(16) 0.9397(17) 0.147(17) Uiso 0.4 1 d D . P R 9
H16A H 0.0155 1.0032 0.9711 0.220 Uiso 0.4 1 calc R U P R 9
H16B H 0.0473 1.0400 0.9140 0.220 Uiso 0.4 1 calc R U P R 9
H16C H 0.1035 1.0024 0.9524 0.220 Uiso 0.4 1 calc R U P R 9
O9W O 0.782(5) 0.406(3) 0.424(3) 0.10(2) Uiso 0.15 1 d . . P S 10
O10W O 0.8867(19) 0.7878(15) 1.1065(12) 0.140(10) Uiso 0.4 1 d . . P T 10
O11W O 0.898(3) 0.737(3) 1.121(2) 0.20(2) Uiso 0.3 1 d . . P T 10
O12W O 0.952(3) 0.8309(19) 1.1136(18) 0.159(15) Uiso 0.3 1 d . . P U 10
O13W O 0.309(2) 0.6953(14) 0.3707(13) 0.140(10) Uiso 0.4 1 d . . P V 10
O14W O 0.379(3) 0.6720(17) 0.3646(15) 0.131(13) Uiso 0.3 1 d . . P V 10
O15W O 0.226(3) 0.7333(19) 0.3997(17) 0.152(15) Uiso 0.3 1 d . . P V 10
O16W O 0.098(3) 0.1459(18) 0.7808(17) 0.152(15) Uiso 0.3 1 d . . P W 10
O17W O 0.528(2) 1.1358(19) 0.730(2) 0.112(14) Uiso 0.3 1 d . . P X 10


_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 O1A 2.076(5) . ?
Co1 O1C 2.099(5) . ?
Co1 O1B 2.108(5) . ?
Co1 O1 2.124(5) . ?
Co1 O1E 2.162(7) . ?
Co1 O1D 2.170(6) . ?
Co2 O3 2.051(5) . ?
Co2 O1 2.057(5) . ?
Co2 O1G 2.102(6) . ?
Co2 N1C 2.118(6) . ?
Co2 O2 2.120(6) . ?
Co2 O1F 2.227(5) . ?
Co3 O1H 1.998(6) . ?
Co3 N1E 2.033(9) . ?
Co3 N1O 2.081(8) . ?
Co3 O1A 2.179(6) . ?
Co3 N3O 2.217(7) . ?
Co3 N3E 2.278(9) . ?
Co4 O1M 1.942(6) . ?
Co4 N1H 2.113(7) . ?
Co4 N1A 2.128(7) . ?
Co4 O1B 2.186(5) . ?
Co4 N3H 2.300(7) . ?
Co4 N3A 2.377(7) . ?
Co5 O1M 1.943(6) . ?
Co5 O1 2.035(5) . ?
Co5 O2 2.046(5) . ?
Co5 O1I 2.128(7) . ?
Co5 N1B 2.143(6) . ?
Co6 O2 2.022(5) . ?
Co6 N1I 2.040(9) . ?
Co6 N1J 2.117(7) . ?
Co6 N3J 2.187(8) . ?
Co6 O1F 2.252(6) . ?
Co6 N3I 2.424(9) . ?
Co7 O1K 1.925(6) . ?
Co7 O1J 2.008(6) . ?
Co7 O1F 2.024(6) . ?
Co7 N3F 2.083(7) . ?
Co7 O3 2.096(5) . ?
Co8 O1L 1.964(7) . ?
Co8 O3 1.981(5) . ?
Co8 N1K 2.058(8) . ?
Co8 N3L 2.078(8) . ?
Co9 O1N 1.995(7) . ?
Co9 O1G 2.092(5) . ?
Co9 O1C 2.125(6) . ?
Co9 O1L 2.138(7) . ?
Co9 N3G 2.222(7) . ?
Co9 O1D 2.241(5) . ?
Co10 O1O 1.983(7) . ?
Co10 N1N 2.069(8) . ?
Co10 O1D 2.071(5) . ?
Co10 N3D 2.191(7) . ?
Co10 N3N 2.294(7) . ?
Co10 O1E 2.312(8) . ?
Co11 O1E 1.10(2) . ?
Co11 N1E 1.24(2) . ?
Co11 C0E 1.48(3) . ?
Co11 C1E 2.05(3) . ?
Co11 C2E 2.34(3) . ?
O1 H1 0.8600 . ?
O2 H2 0.8600 . ?
O3 H3 0.8600 . ?
O1A N1A 1.366(9) . ?
N1A C0A 1.290(10) . ?
C0A C14A 1.452(12) . ?
C0A C1A 1.470(11) . ?
C1A C2A 1.382(12) . ?
C1A C6A 1.436(12) . ?
C2A C3A 1.388(12) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.388(14) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.399(15) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.408(12) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.472(13) . ?
C7A N2A 1.298(12) . ?
C7A C14A 1.454(12) . ?
N2A C8A 1.382(12) . ?
N3A C14A 1.293(11) . ?
N3A C13A 1.374(12) . ?
C8A C9A 1.409(14) . ?
C8A C13A 1.436(12) . ?
C9A C10A 1.356(15) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.398(15) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.365(14) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.413(13) . ?
C12A H12A 0.9500 . ?
O1B N1B 1.371(8) . ?
N1B C0B 1.304(9) . ?
C0B C1B 1.467(11) . ?
C0B C14B 1.472(11) . ?
C1B C2B 1.384(11) . ?
C1B C6B 1.405(11) . ?
C2B C3B 1.393(11) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.379(13) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.382(13) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.408(11) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.463(12) . ?
C7B N2B 1.306(11) . ?
C7B C14B 1.442(10) . ?
N2B C8B 1.388(12) . ?
N3B C14B 1.308(10) . ?
N3B C13B 1.381(10) . ?
C8B C9B 1.376(14) . ?
C8B C13B 1.434(12) . ?
C9B C10B 1.347(14) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.383(14) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.398(12) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.395(12) . ?
C12B H12B 0.9500 . ?
O1C N1C 1.365(8) . ?
N1C C0C 1.287(10) . ?
C0C C1C 1.480(11) . ?
C0C C14C 1.491(11) . ?
C1C C2C 1.396(11) . ?
C1C C6C 1.415(12) . ?
C2C C3C 1.381(12) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.381(14) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.356(13) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.385(11) . ?
C5C H5C 0.9500 . ?
C6C C7C 1.454(12) . ?
C7C N2C 1.330(11) . ?
C7C C14C 1.420(11) . ?
N2C C8C 1.383(10) . ?
N3C C14C 1.320(10) . ?
N3C C13C 1.368(10) . ?
C8C C9C 1.389(13) . ?
C8C C13C 1.430(12) . ?
C9C C10C 1.372(13) . ?
C9C H9C 0.9500 . ?
C10C C11C 1.423(12) . ?
C10C H10C 0.9500 . ?
C11C C12C 1.337(12) . ?
C11C H11C 0.9500 . ?
C12C C13C 1.428(11) . ?
C12C H12C 0.9500 . ?
O1D N1D 1.395(8) . ?
N1D C0D 1.290(10) . ?
C0D C1D 1.464(11) . ?
C0D C14D 1.479(11) . ?
C1D C2D 1.387(12) . ?
C1D C6D 1.393(11) . ?
C2D C3D 1.388(12) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.385(13) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.378(12) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.383(11) . ?
C5D H5D 0.9500 . ?
C6D C7D 1.462(12) . ?
C7D N2D 1.314(11) . ?
C7D C14D 1.452(11) . ?
N2D C8D 1.365(11) . ?
N3D C14D 1.323(10) . ?
N3D C13D 1.397(11) . ?
C8D C9D 1.393(13) . ?
C8D C13D 1.432(12) . ?
C9D C10D 1.335(13) . ?
C9D H9D 0.9500 . ?
C10D C11D 1.380(14) . ?
C10D H10D 0.9500 . ?
C11D C12D 1.378(12) . ?
C11D H11D 0.9500 . ?
C12D C13D 1.402(12) . ?
C12D H12D 0.9500 . ?
O1E N1E 1.218(11) . ?
N1E C0E 1.435(14) . ?
C0E C1E 1.414(14) . ?
C0E C14E 1.469(15) . ?
C1E C2E 1.341(15) . ?
C1E C6E 1.395(14) . ?
C2E C3E 1.366(16) . ?
C3E C4E 1.387(16) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.400(16) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.427(14) . ?
C5E H5E 0.9500 . ?
C6E C7E 1.458(14) . ?
C7E N2E 1.289(13) . ?
C7E C14E 1.435(13) . ?
N2E C8E 1.350(15) . ?
N3E C14E 1.295(13) . ?
N3E C13E 1.380(14) . ?
C8E C13E 1.394(16) . ?
C8E C9E 1.422(19) . ?
C9E C10E 1.34(2) . ?
C9E H9E 0.9500 . ?
C10E C11E 1.41(2) . ?
C10E H10E 0.9500 . ?
C11E C12E 1.377(19) . ?
C11E H11E 0.9500 . ?
C12E C13E 1.399(17) . ?
C12E H12E 0.9500 . ?
O1F N1F 1.403(9) . ?
N1F C0F 1.300(10) . ?
C0F C14F 1.461(12) . ?
C0F C1F 1.496(12) . ?
C1F C2F 1.364(13) . ?
C1F C6F 1.415(12) . ?
C2F C3F 1.415(13) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.364(14) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.367(16) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.413(14) . ?
C5F H5F 0.9500 . ?
C6F C7F 1.471(15) . ?
C7F N2F 1.307(12) . ?
C7F C14F 1.449(12) . ?
N2F C8F 1.355(13) . ?
N3F C14F 1.320(12) . ?
N3F C13F 1.384(11) . ?
C8F C9F 1.403(14) . ?
C8F C13F 1.413(13) . ?
C9F C10F 1.371(17) . ?
C9F H9F 0.9500 . ?
C10F C11F 1.409(16) . ?
C10F H10F 0.9500 . ?
C11F C12F 1.340(14) . ?
C11F H11F 0.9500 . ?
C12F C13F 1.393(14) . ?
C12F H12F 0.9500 . ?
O1G N1G 1.389(8) . ?
N1G C0G 1.279(11) . ?
C0G C1G 1.481(12) . ?
C0G C14G 1.504(12) . ?
C1G C2G 1.358(13) . ?
C1G C6G 1.419(13) . ?
C2G C3G 1.399(13) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.383(15) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.369(14) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.381(13) . ?
C5G H5G 0.9500 . ?
C6G C7G 1.454(14) . ?
C7G N2G 1.309(12) . ?
C7G C14G 1.459(12) . ?
N2G C8G 1.360(13) . ?
N3G C14G 1.296(11) . ?
N3G C13G 1.402(11) . ?
C8G C9G 1.409(14) . ?
C8G C13G 1.428(14) . ?
C9G C10G 1.408(17) . ?
C9G H9G 0.9500 . ?
C10G C11G 1.353(17) . ?
C10G H10G 0.9500 . ?
C11G C12G 1.402(13) . ?
C11G H11G 0.9500 . ?
C12G C13G 1.419(14) . ?
C12G H12G 0.9500 . ?
O1H N1H 1.322(9) . ?
N1H C0H 1.294(10) . ?
C0H C14H 1.458(12) . ?
C0H C1H 1.481(12) . ?
C1H C2H 1.366(13) . ?
C1H C6H 1.430(12) . ?
C2H C3H 1.390(13) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.394(15) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.370(15) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.399(13) . ?
C5H H5H 0.9500 . ?
C6H C7H 1.485(14) . ?
C7H N2H 1.316(12) . ?
C7H C14H 1.433(11) . ?
N2H C8H 1.367(12) . ?
N3H C14H 1.288(11) . ?
N3H C13H 1.375(11) . ?
C8H C9H 1.398(13) . ?
C8H C13H 1.433(12) . ?
C9H C10H 1.344(14) . ?
C9H H9H 0.9500 . ?
C10H C11H 1.418(15) . ?
C10H H10H 0.9500 . ?
C11H C12H 1.386(14) . ?
C11H H11H 0.9500 . ?
C12H C13H 1.385(13) . ?
C12H H12H 0.9500 . ?
O1I N1I 1.251(10) . ?
N1I C0I 1.372(13) . ?
C0I C14I 1.404(16) . ?
C0I C1I 1.423(16) . ?
C1I C2I 1.346(17) . ?
C1I C6I 1.438(15) . ?
C2I C3I 1.424(17) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.436(18) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.40(2) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.404(18) . ?
C5I H5I 0.9500 . ?
C6I C7I 1.455(18) . ?
C7I N2I 1.279(15) . ?
C7I C14I 1.438(15) . ?
N2I C8I 1.376(17) . ?
N3I C14I 1.296(15) . ?
N3I C13I 1.385(15) . ?
C8I C9I 1.372(18) . ?
C8I C13I 1.461(17) . ?
C9I C10I 1.31(2) . ?
C9I H9I 0.9500 . ?
C10I C11I 1.436(19) . ?
C10I H10I 0.9500 . ?
C11I C12I 1.347(17) . ?
C11I H11I 0.9500 . ?
C12I C13I 1.379(18) . ?
C12I H12I 0.9500 . ?
O1J N1J 1.325(9) . ?
N1J C0J 1.306(11) . ?
C0J C1J 1.454(13) . ?
C0J C14J 1.454(12) . ?
C1J C2J 1.384(13) . ?
C1J C6J 1.417(13) . ?
C2J C3J 1.417(14) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.382(15) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.386(15) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.392(14) . ?
C5J H5J 0.9500 . ?
C6J C7J 1.493(14) . ?
C7J N2J 1.318(12) . ?
C7J C14J 1.446(13) . ?
N2J C8J 1.370(13) . ?
N3J C14J 1.277(11) . ?
N3J C13J 1.402(11) . ?
C8J C9J 1.404(15) . ?
C8J C13J 1.407(14) . ?
C9J C10J 1.344(17) . ?
C9J H9J 0.9500 . ?
C10J C11J 1.397(18) . ?
C10J H10J 0.9500 . ?
C11J C12J 1.350(15) . ?
C11J H11J 0.9500 . ?
C12J C13J 1.397(13) . ?
C12J H12J 0.9500 . ?
O1K N1K 1.368(9) . ?
N1K C0K 1.298(12) . ?
C0K C14K 1.441(14) . ?
C0K C1K 1.493(13) . ?
C1K C2K 1.371(15) . ?
C1K C6K 1.405(14) . ?
C2K C3K 1.402(14) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.346(18) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.397(17) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.386(15) . ?
C5K H5K 0.9500 . ?
C6K C7K 1.440(16) . ?
C7K N2K 1.301(14) . ?
C7K C14K 1.459(14) . ?
N2K C8K 1.363(16) . ?
N3K C14K 1.310(13) . ?
N3K C13K 1.360(14) . ?
C8K C9K 1.430(18) . ?
C8K C13K 1.456(18) . ?
C9K C10K 1.35(2) . ?
C9K H9K 0.9500 . ?
C10K C11K 1.39(2) . ?
C10K H10K 0.9500 . ?
C11K C12K 1.427(19) . ?
C11K H11K 0.9500 . ?
C12K C13K 1.356(17) . ?
C12K H12K 0.9500 . ?
O1L N1L 1.333(10) . ?
N1L C0L 1.365(13) . ?
C0L C14L 1.445(14) . ?
C0L C1L 1.470(14) . ?
C1L C2L 1.364(15) . ?
C1L C6L 1.399(15) . ?
C2L C3L 1.389(15) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.372(17) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.347(16) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.419(14) . ?
C5L H5L 0.9500 . ?
C6L C7L 1.448(15) . ?
C7L N2L 1.299(13) . ?
C7L C14L 1.460(14) . ?
N2L C8L 1.372(13) . ?
N3L C14L 1.299(12) . ?
N3L C13L 1.392(12) . ?
C8L C13L 1.422(14) . ?
C8L C9L 1.434(15) . ?
C9L C10L 1.341(15) . ?
C9L H9L 0.9500 . ?
C10L C11L 1.414(15) . ?
C10L H10X 0.9500 . ?
C11L C12L 1.364(15) . ?
C11L H11X 0.9500 . ?
C12L C13L 1.392(14) . ?
C12L H12X 0.9500 . ?
O1N N1N 1.284(10) . ?
N1N C0N 1.357(12) . ?
C0N C1N 1.436(15) . ?
C0N C14N 1.459(14) . ?
C1N C2N 1.352(16) . ?
C1N C6N 1.399(15) . ?
C2N C3N 1.309(16) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.35(2) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.42(2) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.384(15) . ?
C5N H5N 0.9500 . ?
C6N C7N 1.486(16) . ?
C7N N2N 1.341(14) . ?
C7N C14N 1.424(12) . ?
N2N C8N 1.322(15) . ?
N3N C14N 1.300(12) . ?
N3N C13N 1.354(13) . ?
C8N C9N 1.381(16) . ?
C8N C13N 1.467(15) . ?
C9N C10N 1.358(19) . ?
C9N H9N 0.9500 . ?
C10N C11N 1.416(18) . ?
C10N H10N 0.9500 . ?
C11N C12N 1.423(17) . ?
C11N H11N 0.9500 . ?
C12N C13N 1.397(16) . ?
C12N H12N 0.9500 . ?
O1O N1O 1.291(10) . ?
N1O C0O 1.363(12) . ?
C0O C14O 1.406(14) . ?
C0O C1O 1.454(14) . ?
C1O C2O 1.368(17) . ?
C1O C6O 1.371(16) . ?
C2O C3O 1.338(16) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.354(19) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.41(2) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.461(15) . ?
C5O H5O 0.9500 . ?
C6O C7O 1.430(16) . ?
C7O N2O 1.280(14) . ?
C7O C14O 1.433(13) . ?
N2O C8O 1.346(16) . ?
N3O C14O 1.323(12) . ?
N3O C13O 1.382(13) . ?
C8O C9O 1.414(18) . ?
C8O C13O 1.503(16) . ?
C9O C10O 1.342(18) . ?
C9O H9O 0.9500 . ?
C10O C11O 1.407(16) . ?
C10O H10O 0.9500 . ?
C11O C12O 1.421(15) . ?
C11O H11O 0.9500 . ?
C12O C13O 1.421(15) . ?
C12O H12O 0.9500 . ?
O1M C1M 1.54(2) . ?
C1M H1M1 0.9800 . ?
C1M H1M2 0.9800 . ?
C1M H1M3 0.9800 . ?
Cl1 O31 1.42(3) . ?
Cl1 O41 1.446(14) . ?
Cl1 O21 1.530(15) . ?
Cl1 O11 1.580(17) . ?
Cl2 Cl21 1.28(4) . ?
Cl2 O42 1.42(3) . ?
Cl2 O32 1.47(3) . ?
Cl2 O22 1.61(3) . ?
Cl2 O12 1.62(3) . ?
Cl2 Cl22 2.40(5) . ?
O12 Cl21 1.25(4) . ?
O22 Cl21 2.13(5) . ?
O32 Cl21 1.71(4) . ?
O32 Cl22 1.89(5) . ?
Cl21 Cl22 1.37(5) . ?
O2M C2M 1.392(13) . ?
O2M H2M 0.8403 . ?
C2M H2M1 0.9800 . ?
C2M H2M2 0.9800 . ?
C2M H2M3 0.9799 . ?
O3M C3M 1.43(2) . ?
O3M H3M 0.8495 . ?
C3M H3M1 0.9800 . ?
C3M H3M2 0.9800 . ?
C3M H3M3 0.9799 . ?
O4M C4M 1.407(10) . ?
O4M H4M 0.8401 . ?
C4M H4M1 0.9800 . ?
C4M H4M2 0.9800 . ?
C4M H4M3 0.9800 . ?
O5M C5M 1.27(4) . ?
O5M H5M 0.8400 . ?
C5M H5M1 0.9800 . ?
C5M H5M2 0.9800 . ?
C5M H5M3 0.9800 . ?
O6M C6M 1.55(4) . ?
O6M H6M 0.8503 . ?
C6M H6M1 0.9802 . ?
C6M H6M2 0.9800 . ?
C6M H6M3 0.9800 . ?
O7M C7M 1.26(3) . ?
O7M H7M 0.8400 . ?
C7M H7M1 0.9800 . ?
C7M H7M2 0.9800 . ?
C7M H7M3 0.9800 . ?
O8M C8M 1.392(18) . ?
O8M H8M 0.8400 . ?
C8M H8M1 0.9799 . ?
C8M H8M2 0.9802 . ?
C8M H8M3 0.9800 . ?
O9M C9M 1.55(5) . ?
O9M H9M 0.8400 . ?
C9M H9M1 0.9800 . ?
C9M H9M2 0.9800 . ?
C9M H9M3 0.9800 . ?
O10M C10M 1.394(10) . ?
O10M H10M 0.8400 . ?
C10M H10L 0.9800 . ?
C10M H10Q 0.9800 . ?
C10M H10R 0.9800 . ?
O4W O5W 0.89(4) . ?
O4W O6W 1.12(5) . ?
O5W O6W 1.17(6) . ?
O7W O8W 1.41(3) . ?
O11M C11M 1.73(5) . ?
O11M H11M 0.8400 . ?
C11M H11L 0.9800 . ?
C11M H11Q 0.9800 . ?
C11M H11R 0.9800 . ?
O12M C12M 1.402(10) . ?
O12M H12M 0.8400 . ?
C12M H12L 0.9800 . ?
C12M H12Q 0.9800 . ?
C12M H12R 0.9800 . ?
C13M O13M 1.399(10) . ?
C13M H13A 0.9800 . ?
C13M H13B 0.9800 . ?
C13M H13C 0.9800 . ?
O13M H13M 0.8400 . ?
O14M C14M 1.43(4) . ?
O14M H14M 0.8400 . ?
C14M H14A 0.9800 . ?
C14M H14B 0.9800 . ?
C14M H14C 0.9800 . ?
O15M C15M 1.396(10) . ?
O15M H15M 0.8400 . ?
C15M H15A 0.9800 . ?
C15M H15B 0.9800 . ?
C15M H15C 0.9800 . ?
O16M C16M 1.386(10) . ?
O16M H16M 0.8400 . ?
C16M H16A 0.9800 . ?
C16M H16B 0.9800 . ?
C16M H16C 0.9800 . ?
O10W O11W 1.14(5) . ?
O13W O14W 1.26(5) . ?
O13W O15W 1.62(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1A Co1 O1C 171.6(2) . . ?
O1A Co1 O1B 90.0(2) . . ?
O1C Co1 O1B 97.9(2) . . ?
O1A Co1 O1 92.2(2) . . ?
O1C Co1 O1 85.3(2) . . ?
O1B Co1 O1 87.79(19) . . ?
O1A Co1 O1E 88.3(3) . . ?
O1C Co1 O1E 94.1(3) . . ?
O1B Co1 O1E 93.7(2) . . ?
O1 Co1 O1E 178.5(2) . . ?
O1A Co1 O1D 92.6(2) . . ?
O1C Co1 O1D 80.0(2) . . ?
O1B Co1 O1D 171.29(19) . . ?
O1 Co1 O1D 100.38(19) . . ?
O1E Co1 O1D 78.1(2) . . ?
O3 Co2 O1 172.5(2) . . ?
O3 Co2 O1G 79.9(2) . . ?
O1 Co2 O1G 96.5(2) . . ?
O3 Co2 N1C 96.8(2) . . ?
O1 Co2 N1C 89.5(2) . . ?
O1G Co2 N1C 85.7(2) . . ?
O3 Co2 O2 98.5(2) . . ?
O1 Co2 O2 84.7(2) . . ?
O1G Co2 O2 176.4(2) . . ?
N1C Co2 O2 97.7(2) . . ?
O3 Co2 O1F 78.4(2) . . ?
O1 Co2 O1F 95.7(2) . . ?
O1G Co2 O1F 98.0(2) . . ?
N1C Co2 O1F 173.2(2) . . ?
O2 Co2 O1F 78.5(2) . . ?
O1H Co3 N1E 92.9(4) . . ?
O1H Co3 N1O 170.2(3) . . ?
N1E Co3 N1O 94.0(4) . . ?
O1H Co3 O1A 102.6(2) . . ?
N1E Co3 O1A 86.9(4) . . ?
N1O Co3 O1A 84.7(3) . . ?
O1H Co3 N3O 92.3(3) . . ?
N1E Co3 N3O 174.2(4) . . ?
N1O Co3 N3O 80.5(3) . . ?
O1A Co3 N3O 94.5(2) . . ?
O1H Co3 N3E 79.1(3) . . ?
N1E Co3 N3E 79.8(4) . . ?
N1O Co3 N3E 95.3(3) . . ?
O1A Co3 N3E 166.7(3) . . ?
N3O Co3 N3E 98.6(3) . . ?
O1M Co4 N1H 169.5(3) . . ?
O1M Co4 N1A 100.8(2) . . ?
N1H Co4 N1A 89.6(3) . . ?
O1M Co4 O1B 88.8(2) . . ?
N1H Co4 O1B 93.0(2) . . ?
N1A Co4 O1B 83.8(2) . . ?
O1M Co4 N3H 90.9(3) . . ?
N1H Co4 N3H 78.8(3) . . ?
N1A Co4 N3H 167.8(3) . . ?
O1B Co4 N3H 93.0(2) . . ?
O1M Co4 N3A 84.5(2) . . ?
N1H Co4 N3A 97.6(3) . . ?
N1A Co4 N3A 75.9(3) . . ?
O1B Co4 N3A 156.9(2) . . ?
N3H Co4 N3A 109.1(3) . . ?
O1M Co5 O1 125.0(2) . . ?
O1M Co5 O2 147.8(2) . . ?
O1 Co5 O2 87.2(2) . . ?
O1M Co5 O1I 81.3(3) . . ?
O1 Co5 O1I 99.4(2) . . ?
O2 Co5 O1I 94.6(3) . . ?
O1M Co5 N1B 82.1(2) . . ?
O1 Co5 N1B 88.0(2) . . ?
O2 Co5 N1B 100.8(2) . . ?
O1I Co5 N1B 163.2(3) . . ?
O2 Co6 N1I 93.9(3) . . ?
O2 Co6 N1J 103.0(2) . . ?
N1I Co6 N1J 162.6(3) . . ?
O2 Co6 N3J 96.4(2) . . ?
N1I Co6 N3J 102.3(3) . . ?
N1J Co6 N3J 80.3(3) . . ?
O2 Co6 O1F 79.9(2) . . ?
N1I Co6 O1F 87.6(3) . . ?
N1J Co6 O1F 91.1(3) . . ?
N3J Co6 O1F 169.7(2) . . ?
O2 Co6 N3I 167.0(3) . . ?
N1I Co6 N3I 76.8(4) . . ?
N1J Co6 N3I 85.8(3) . . ?
N3J Co6 N3I 94.5(3) . . ?
O1F Co6 N3I 90.5(2) . . ?
O1K Co7 O1J 119.5(3) . . ?
O1K Co7 O1F 133.8(3) . . ?
O1J Co7 O1F 106.5(3) . . ?
O1K Co7 N3F 86.9(3) . . ?
O1J Co7 N3F 98.8(3) . . ?
O1F Co7 N3F 91.1(3) . . ?
O1K Co7 O3 93.9(2) . . ?
O1J Co7 O3 88.4(2) . . ?
O1F Co7 O3 82.1(2) . . ?
N3F Co7 O3 171.3(3) . . ?
O1L Co8 O3 117.7(2) . . ?
O1L Co8 N1K 138.5(3) . . ?
O3 Co8 N1K 96.4(3) . . ?
O1L Co8 N3L 95.4(3) . . ?
O3 Co8 N3L 94.6(3) . . ?
N1K Co8 N3L 105.3(3) . . ?
O1N Co9 O1G 170.0(3) . . ?
O1N Co9 O1C 85.2(3) . . ?
O1G Co9 O1C 86.9(2) . . ?
O1N Co9 O1L 97.0(3) . . ?
O1G Co9 O1L 77.3(2) . . ?
O1C Co9 O1L 93.1(2) . . ?
O1N Co9 N3G 101.8(3) . . ?
O1G Co9 N3G 86.6(2) . . ?
O1C Co9 N3G 171.8(2) . . ?
O1L Co9 N3G 90.3(3) . . ?
O1N Co9 O1D 91.7(3) . . ?
O1G Co9 O1D 92.6(2) . . ?
O1C Co9 O1D 77.9(2) . . ?
O1L Co9 O1D 166.9(2) . . ?
N3G Co9 O1D 97.4(2) . . ?
O1O Co10 N1N 172.0(3) . . ?
O1O Co10 O1D 98.1(2) . . ?
N1N Co10 O1D 89.3(3) . . ?
O1O Co10 N3D 78.2(3) . . ?
N1N Co10 N3D 99.2(3) . . ?
O1D Co10 N3D 87.1(2) . . ?
O1O Co10 N3N 94.6(3) . . ?
N1N Co10 N3N 78.7(3) . . ?
O1D Co10 N3N 163.7(3) . . ?
N3D Co10 N3N 105.6(3) . . ?
O1O Co10 O1E 104.6(3) . . ?
N1N Co10 O1E 80.0(3) . . ?
O1D Co10 O1E 76.8(2) . . ?
N3D Co10 O1E 163.9(2) . . ?
N3N Co10 O1E 90.1(2) . . ?
O1E Co11 N1E 62.5(14) . . ?
O1E Co11 C0E 123(2) . . ?
N1E Co11 C0E 63.1(14) . . ?
O1E Co11 C1E 161(2) . . ?
N1E Co11 C1E 106.7(18) . . ?
C0E Co11 C1E 43.6(9) . . ?
O1E Co11 C2E 152.7(19) . . ?
N1E Co11 C2E 141.5(19) . . ?
C0E Co11 C2E 78.4(12) . . ?
C1E Co11 C2E 34.8(6) . . ?
Co5 O1 Co2 94.7(2) . . ?
Co5 O1 Co1 111.2(2) . . ?
Co2 O1 Co1 114.7(2) . . ?
Co5 O1 H1 111.7 . . ?
Co2 O1 H1 111.7 . . ?
Co1 O1 H1 111.7 . . ?
Co6 O2 Co5 110.7(2) . . ?
Co6 O2 Co2 105.6(2) . . ?
Co5 O2 Co2 92.5(2) . . ?
Co6 O2 H2 115.2 . . ?
Co5 O2 H2 115.2 . . ?
Co2 O2 H2 115.2 . . ?
Co8 O3 Co2 107.3(3) . . ?
Co8 O3 Co7 109.5(2) . . ?
Co2 O3 Co7 100.6(2) . . ?
Co8 O3 H3 112.9 . . ?
Co2 O3 H3 112.9 . . ?
Co7 O3 H3 112.9 . . ?
N1A O1A Co1 112.6(4) . . ?
N1A O1A Co3 102.4(4) . . ?
Co1 O1A Co3 114.4(2) . . ?
C0A N1A O1A 119.0(7) . . ?
C0A N1A Co4 116.2(6) . . ?
O1A N1A Co4 124.8(5) . . ?
N1A C0A C14A 115.3(7) . . ?
N1A C0A C1A 136.4(8) . . ?
C14A C0A C1A 108.0(7) . . ?
C2A C1A C6A 121.0(8) . . ?
C2A C1A C0A 131.4(8) . . ?
C6A C1A C0A 107.6(8) . . ?
C1A C2A C3A 118.4(9) . . ?
C1A C2A H2A 120.8 . . ?
C3A C2A H2A 120.8 . . ?
C2A C3A C4A 121.4(10) . . ?
C2A C3A H3A 119.3 . . ?
C4A C3A H3A 119.3 . . ?
C3A C4A C5A 121.8(9) . . ?
C3A C4A H4A 119.1 . . ?
C5A C4A H4A 119.1 . . ?
C4A C5A C6A 117.5(9) . . ?
C4A C5A H5A 121.2 . . ?
C6A C5A H5A 121.2 . . ?
C5A C6A C1A 119.8(9) . . ?
C5A C6A C7A 131.2(9) . . ?
C1A C6A C7A 108.9(7) . . ?
N2A C7A C14A 122.3(9) . . ?
N2A C7A C6A 130.6(8) . . ?
C14A C7A C6A 107.0(8) . . ?
C7A N2A C8A 114.5(8) . . ?
C14A N3A C13A 115.4(7) . . ?
C14A N3A Co4 102.4(6) . . ?
C13A N3A Co4 141.7(6) . . ?
N2A C8A C9A 119.1(8) . . ?
N2A C8A C13A 123.2(9) . . ?
C9A C8A C13A 117.6(9) . . ?
C10A C9A C8A 120.5(10) . . ?
C10A C9A H9A 119.7 . . ?
C8A C9A H9A 119.7 . . ?
C9A C10A C11A 121.4(11) . . ?
C9A C10A H10A 119.3 . . ?
C11A C10A H10A 119.3 . . ?
C12A C11A C10A 121.1(11) . . ?
C12A C11A H11A 119.5 . . ?
C10A C11A H11A 119.5 . . ?
C11A C12A C13A 118.6(9) . . ?
C11A C12A H12A 120.7 . . ?
C13A C12A H12A 120.7 . . ?
N3A C13A C12A 119.3(8) . . ?
N3A C13A C8A 120.0(9) . . ?
C12A C13A C8A 120.7(9) . . ?
N3A C14A C0A 126.6(8) . . ?
N3A C14A C7A 124.5(9) . . ?
C0A C14A C7A 108.4(8) . . ?
N1B O1B Co1 109.8(4) . . ?
N1B O1B Co4 106.7(4) . . ?
Co1 O1B Co4 116.0(2) . . ?
C0B N1B O1B 114.9(6) . . ?
C0B N1B Co5 139.6(6) . . ?
O1B N1B Co5 102.8(4) . . ?
N1B C0B C1B 131.3(7) . . ?
N1B C0B C14B 121.6(7) . . ?
C1B C0B C14B 107.0(7) . . ?
C2B C1B C6B 119.3(7) . . ?
C2B C1B C0B 132.0(7) . . ?
C6B C1B C0B 108.7(7) . . ?
C1B C2B C3B 119.0(8) . . ?
C1B C2B H2B 120.5 . . ?
C3B C2B H2B 120.5 . . ?
C4B C3B C2B 122.1(9) . . ?
C4B C3B H3B 118.9 . . ?
C2B C3B H3B 118.9 . . ?
C3B C4B C5B 119.6(8) . . ?
C3B C4B H4B 120.2 . . ?
C5B C4B H4B 120.2 . . ?
C4B C5B C6B 119.1(9) . . ?
C4B C5B H5B 120.5 . . ?
C6B C5B H5B 120.5 . . ?
C1B C6B C5B 120.8(8) . . ?
C1B C6B C7B 108.8(7) . . ?
C5B C6B C7B 130.4(8) . . ?
N2B C7B C14B 123.5(8) . . ?
N2B C7B C6B 128.5(7) . . ?
C14B C7B C6B 108.0(7) . . ?
C7B N2B C8B 115.9(7) . . ?
C14B N3B C13B 114.9(7) . . ?
C9B C8B N2B 120.7(8) . . ?
C9B C8B C13B 119.4(9) . . ?
N2B C8B C13B 119.9(8) . . ?
C10B C9B C8B 121.2(9) . . ?
C10B C9B H9B 119.4 . . ?
C8B C9B H9B 119.4 . . ?
C9B C10B C11B 121.7(10) . . ?
C9B C10B H10B 119.1 . . ?
C11B C10B H10B 119.1 . . ?
C10B C11B C12B 118.7(9) . . ?
C10B C11B H11B 120.7 . . ?
C12B C11B H11B 120.7 . . ?
C13B C12B C11B 121.0(8) . . ?
C13B C12B H12B 119.5 . . ?
C11B C12B H12B 119.5 . . ?
N3B C13B C12B 119.2(7) . . ?
N3B C13B C8B 122.8(8) . . ?
C12B C13B C8B 117.9(8) . . ?
N3B C14B C7B 123.0(8) . . ?
N3B C14B C0B 129.6(7) . . ?
C7B C14B C0B 107.4(7) . . ?
N1C O1C Co1 122.8(4) . . ?
N1C O1C Co9 108.3(4) . . ?
Co1 O1C Co9 103.6(2) . . ?
C0C N1C O1C 115.5(6) . . ?
C0C N1C Co2 137.7(6) . . ?
O1C N1C Co2 106.7(4) . . ?
N1C C0C C1C 129.5(7) . . ?
N1C C0C C14C 124.8(7) . . ?
C1C C0C C14C 105.7(7) . . ?
C2C C1C C6C 119.3(8) . . ?
C2C C1C C0C 131.4(8) . . ?
C6C C1C C0C 109.2(7) . . ?
C3C C2C C1C 117.7(9) . . ?
C3C C2C H2C 121.1 . . ?
C1C C2C H2C 121.1 . . ?
C2C C3C C4C 122.0(9) . . ?
C2C C3C H3C 119.0 . . ?
C4C C3C H3C 119.0 . . ?
C5C C4C C3C 121.1(9) . . ?
C5C C4C H4C 119.4 . . ?
C3C C4C H4C 119.4 . . ?
C4C C5C C6C 118.6(9) . . ?
C4C C5C H5C 120.7 . . ?
C6C C5C H5C 120.7 . . ?
C5C C6C C1C 121.1(8) . . ?
C5C C6C C7C 131.2(9) . . ?
C1C C6C C7C 107.7(7) . . ?
N2C C7C C14C 124.0(8) . . ?
N2C C7C C6C 126.0(8) . . ?
C14C C7C C6C 109.9(8) . . ?
C7C N2C C8C 114.3(7) . . ?
C14C N3C C13C 115.6(7) . . ?
N2C C8C C9C 118.5(8) . . ?
N2C C8C C13C 121.5(8) . . ?
C9C C8C C13C 120.0(8) . . ?
C10C C9C C8C 121.0(9) . . ?
C10C C9C H9C 119.5 . . ?
C8C C9C H9C 119.5 . . ?
C9C C10C C11C 119.2(9) . . ?
C9C C10C H10C 120.4 . . ?
C11C C10C H10C 120.4 . . ?
C12C C11C C10C 121.3(9) . . ?
C12C C11C H11C 119.4 . . ?
C10C C11C H11C 119.4 . . ?
C11C C12C C13C 121.0(8) . . ?
C11C C12C H12C 119.5 . . ?
C13C C12C H12C 119.5 . . ?
N3C C13C C12C 120.5(7) . . ?
N3C C13C C8C 121.9(8) . . ?
C12C C13C C8C 117.6(8) . . ?
N3C C14C C7C 122.6(8) . . ?
N3C C14C C0C 130.1(7) . . ?
C7C C14C C0C 107.3(7) . . ?
N1D O1D Co10 124.2(4) . . ?
N1D O1D Co1 107.9(4) . . ?
Co10 O1D Co1 105.7(2) . . ?
N1D O1D Co9 109.0(4) . . ?
Co10 O1D Co9 109.0(2) . . ?
Co1 O1D Co9 97.6(2) . . ?
C0D N1D O1D 115.3(6) . . ?
N1D C0D C1D 121.2(7) . . ?
N1D C0D C14D 132.1(7) . . ?
C1D C0D C14D 106.5(7) . . ?
C2D C1D C6D 119.5(8) . . ?
C2D C1D C0D 130.4(8) . . ?
C6D C1D C0D 110.0(7) . . ?
C1D C2D C3D 119.0(9) . . ?
C1D C2D H2D 120.5 . . ?
C3D C2D H2D 120.5 . . ?
C4D C3D C2D 121.2(9) . . ?
C4D C3D H3D 119.4 . . ?
C2D C3D H3D 119.4 . . ?
C5D C4D C3D 119.9(8) . . ?
C5D C4D H4D 120.1 . . ?
C3D C4D H4D 120.1 . . ?
C4D C5D C6D 119.3(9) . . ?
C4D C5D H5D 120.3 . . ?
C6D C5D H5D 120.3 . . ?
C5D C6D C1D 121.1(8) . . ?
C5D C6D C7D 130.6(9) . . ?
C1D C6D C7D 108.3(7) . . ?
N2D C7D C14D 122.3(8) . . ?
N2D C7D C6D 129.4(8) . . ?
C14D C7D C6D 108.3(8) . . ?
C7D N2D C8D 115.8(7) . . ?
C14D N3D C13D 115.0(7) . . ?
C14D N3D Co10 113.4(5) . . ?
C13D N3D Co10 130.0(5) . . ?
N2D C8D C9D 119.3(8) . . ?
N2D C8D C13D 122.8(8) . . ?
C9D C8D C13D 117.9(8) . . ?
C10D C9D C8D 121.4(9) . . ?
C10D C9D H9D 119.3 . . ?
C8D C9D H9D 119.3 . . ?
C9D C10D C11D 121.6(10) . . ?
C9D C10D H10D 119.2 . . ?
C11D C10D H10D 119.2 . . ?
C12D C11D C10D 120.1(9) . . ?
C12D C11D H11D 120.0 . . ?
C10D C11D H11D 120.0 . . ?
C11D C12D C13D 119.7(9) . . ?
C11D C12D H12D 120.2 . . ?
C13D C12D H12D 120.2 . . ?
N3D C13D C12D 120.1(7) . . ?
N3D C13D C8D 120.6(8) . . ?
C12D C13D C8D 119.3(8) . . ?
N3D C14D C7D 123.4(8) . . ?
N3D C14D C0D 129.7(7) . . ?
C7D C14D C0D 106.8(7) . . ?
Co11 O1E N1E 64.1(14) . . ?
Co11 O1E Co1 137.9(15) . . ?
N1E O1E Co1 117.6(7) . . ?
Co11 O1E Co10 123.5(14) . . ?
N1E O1E Co10 101.0(7) . . ?
Co1 O1E Co10 98.2(3) . . ?
O1E N1E Co11 53.5(12) . . ?
O1E N1E C0E 118.3(9) . . ?
Co11 N1E C0E 66.8(14) . . ?
O1E N1E Co3 127.4(9) . . ?
Co11 N1E Co3 165.2(14) . . ?
C0E N1E Co3 114.2(8) . . ?
C1E C0E N1E 140.4(11) . . ?
C1E C0E C14E 109.3(9) . . ?
N1E C0E C14E 110.2(9) . . ?
C1E C0E Co11 90.2(13) . . ?
N1E C0E Co11 50.2(10) . . ?
C14E C0E Co11 160.4(13) . . ?
C2E C1E C6E 121.7(10) . . ?
C2E C1E C0E 130.5(11) . . ?
C6E C1E C0E 107.8(10) . . ?
C2E C1E Co11 84.4(10) . . ?
C6E C1E Co11 154.0(11) . . ?
C0E C1E Co11 46.2(9) . . ?
C1E C2E C3E 118.7(11) . . ?
C1E C2E Co11 60.8(9) . . ?
C3E C2E Co11 177.0(12) . . ?
C2E C3E C4E 121.9(12) . . ?
C2E C3E H3E 119.1 . . ?
C4E C3E H3E 119.1 . . ?
C3E C4E C5E 121.6(11) . . ?
C3E C4E H4E 119.2 . . ?
C5E C4E H4E 119.2 . . ?
C4E C5E C6E 114.9(11) . . ?
C4E C5E H5E 122.6 . . ?
C6E C5E H5E 122.6 . . ?
C1E C6E C5E 121.3(11) . . ?
C1E C6E C7E 109.6(9) . . ?
C5E C6E C7E 129.2(10) . . ?
N2E C7E C14E 120.4(10) . . ?
N2E C7E C6E 132.4(9) . . ?
C14E C7E C6E 107.2(9) . . ?
C7E N2E C8E 114.5(10) . . ?
C14E N3E C13E 113.6(9) . . ?
C14E N3E Co3 102.5(7) . . ?
C13E N3E Co3 142.0(7) . . ?
N2E C8E C13E 125.8(12) . . ?
N2E C8E C9E 117.7(12) . . ?
C13E C8E C9E 116.4(13) . . ?
C10E C9E C8E 122.5(15) . . ?
C10E C9E H9E 118.8 . . ?
C8E C9E H9E 118.8 . . ?
C9E C10E C11E 121.2(15) . . ?
C9E C10E H10E 119.4 . . ?
C11E C10E H10E 119.4 . . ?
C12E C11E C10E 117.3(14) . . ?
C12E C11E H11E 121.3 . . ?
C10E C11E H11E 121.3 . . ?
C11E C12E C13E 121.9(14) . . ?
C11E C12E H12E 119.1 . . ?
C13E C12E H12E 119.1 . . ?
N3E C13E C8E 119.2(11) . . ?
N3E C13E C12E 120.2(12) . . ?
C8E C13E C12E 120.6(12) . . ?
N3E C14E C7E 126.4(10) . . ?
N3E C14E C0E 127.4(10) . . ?
C7E C14E C0E 105.9(9) . . ?
N1F O1F Co7 127.6(4) . . ?
N1F O1F Co2 116.1(4) . . ?
Co7 O1F Co2 97.2(2) . . ?
N1F O1F Co6 112.2(4) . . ?
Co7 O1F Co6 103.2(2) . . ?
Co2 O1F Co6 94.9(2) . . ?
C0F N1F O1F 114.1(7) . . ?
N1F C0F C14F 133.0(8) . . ?
N1F C0F C1F 120.3(8) . . ?
C14F C0F C1F 106.7(7) . . ?
C2F C1F C6F 121.2(9) . . ?
C2F C1F C0F 130.8(8) . . ?
C6F C1F C0F 107.9(9) . . ?
C1F C2F C3F 118.2(9) . . ?
C1F C2F H2F 120.9 . . ?
C3F C2F H2F 120.9 . . ?
C4F C3F C2F 120.6(11) . . ?
C4F C3F H3F 119.7 . . ?
C2F C3F H3F 119.7 . . ?
C3F C4F C5F 122.5(10) . . ?
C3F C4F H4F 118.8 . . ?
C5F C4F H4F 118.8 . . ?
C4F C5F C6F 118.1(10) . . ?
C4F C5F H5F 121.0 . . ?
C6F C5F H5F 121.0 . . ?
C5F C6F C1F 119.5(11) . . ?
C5F C6F C7F 131.1(9) . . ?
C1F C6F C7F 109.4(8) . . ?
N2F C7F C14F 123.8(10) . . ?
N2F C7F C6F 129.0(8) . . ?
C14F C7F C6F 107.2(8) . . ?
C7F N2F C8F 115.2(8) . . ?
C14F N3F C13F 116.3(8) . . ?
C14F N3F Co7 115.6(6) . . ?
C13F N3F Co7 126.9(7) . . ?
N2F C8F C9F 119.3(10) . . ?
N2F C8F C13F 123.0(9) . . ?
C9F C8F C13F 117.7(11) . . ?
C10F C9F C8F 120.7(11) . . ?
C10F C9F H9F 119.6 . . ?
C8F C9F H9F 119.6 . . ?
C9F C10F C11F 120.1(11) . . ?
C9F C10F H10F 120.0 . . ?
C11F C10F H10F 120.0 . . ?
C12F C11F C10F 120.4(12) . . ?
C12F C11F H11F 119.8 . . ?
C10F C11F H11F 119.8 . . ?
C11F C12F C13F 120.5(10) . . ?
C11F C12F H12F 119.8 . . ?
C13F C12F H12F 119.8 . . ?
N3F C13F C12F 118.7(9) . . ?
N3F C13F C8F 120.7(10) . . ?
C12F C13F C8F 120.6(9) . . ?
N3F C14F C7F 120.9(8) . . ?
N3F C14F C0F 130.2(8) . . ?
C7F C14F C0F 108.7(9) . . ?
N1G O1G Co9 131.3(5) . . ?
N1G O1G Co2 110.8(4) . . ?
Co9 O1G Co2 113.5(2) . . ?
C0G N1G O1G 116.7(7) . . ?
N1G C0G C1G 121.9(8) . . ?
N1G C0G C14G 131.5(8) . . ?
C1G C0G C14G 106.3(8) . . ?
C2G C1G C6G 119.6(9) . . ?
C2G C1G C0G 130.3(9) . . ?
C6G C1G C0G 109.9(9) . . ?
C1G C2G C3G 119.8(10) . . ?
C1G C2G H2G 120.1 . . ?
C3G C2G H2G 120.1 . . ?
C4G C3G C2G 120.0(11) . . ?
C4G C3G H3G 120.0 . . ?
C2G C3G H3G 120.0 . . ?
C5G C4G C3G 121.1(10) . . ?
C5G C4G H4G 119.5 . . ?
C3G C4G H4G 119.5 . . ?
C4G C5G C6G 119.1(10) . . ?
C4G C5G H5G 120.4 . . ?
C6G C5G H5G 120.4 . . ?
C5G C6G C1G 120.4(10) . . ?
C5G C6G C7G 132.0(10) . . ?
C1G C6G C7G 107.6(8) . . ?
N2G C7G C6G 127.4(9) . . ?
N2G C7G C14G 122.3(10) . . ?
C6G C7G C14G 110.3(8) . . ?
C7G N2G C8G 114.4(9) . . ?
C14G N3G C13G 114.7(8) . . ?
C14G N3G Co9 119.0(6) . . ?
C13G N3G Co9 126.3(7) . . ?
N2G C8G C9G 118.0(10) . . ?
N2G C8G C13G 124.5(9) . . ?
C9G C8G C13G 117.5(11) . . ?
C10G C9G C8G 121.3(12) . . ?
C10G C9G H9G 119.4 . . ?
C8G C9G H9G 119.4 . . ?
C11G C10G C9G 119.5(11) . . ?
C11G C10G H10G 120.3 . . ?
C9G C10G H10G 120.3 . . ?
C10G C11G C12G 122.9(12) . . ?
C10G C11G H11G 118.6 . . ?
C12G C11G H11G 118.6 . . ?
C11G C12G C13G 117.8(11) . . ?
C11G C12G H12G 121.1 . . ?
C13G C12G H12G 121.1 . . ?
N3G C13G C12G 119.5(9) . . ?
N3G C13G C8G 119.6(9) . . ?
C12G C13G C8G 120.9(9) . . ?
N3G C14G C7G 124.4(9) . . ?
N3G C14G C0G 129.7(8) . . ?
C7G C14G C0G 105.8(8) . . ?
N1H O1H Co3 127.6(5) . . ?
C0H N1H O1H 118.1(7) . . ?
C0H N1H Co4 114.5(6) . . ?
O1H N1H Co4 127.3(5) . . ?
N1H C0H C14H 116.2(8) . . ?
N1H C0H C1H 134.8(8) . . ?
C14H C0H C1H 108.3(7) . . ?
C2H C1H C6H 121.8(9) . . ?
C2H C1H C0H 131.7(8) . . ?
C6H C1H C0H 106.5(8) . . ?
C1H C2H C3H 116.5(10) . . ?
C1H C2H H2H 121.8 . . ?
C3H C2H H2H 121.8 . . ?
C2H C3H C4H 122.9(11) . . ?
C2H C3H H3H 118.5 . . ?
C4H C3H H3H 118.5 . . ?
C5H C4H C3H 120.8(10) . . ?
C5H C4H H4H 119.6 . . ?
C3H C4H H4H 119.6 . . ?
C4H C5H C6H 117.8(10) . . ?
C4H C5H H5H 121.1 . . ?
C6H C5H H5H 121.1 . . ?
C5H C6H C1H 120.2(10) . . ?
C5H C6H C7H 130.2(9) . . ?
C1H C6H C7H 109.5(8) . . ?
N2H C7H C14H 121.7(9) . . ?
N2H C7H C6H 131.3(8) . . ?
C14H C7H C6H 107.0(8) . . ?
C7H N2H C8H 115.3(8) . . ?
C14H N3H C13H 115.7(8) . . ?
C14H N3H Co4 103.6(6) . . ?
C13H N3H Co4 139.8(6) . . ?
N2H C8H C9H 118.0(9) . . ?
N2H C8H C13H 122.5(9) . . ?
C9H C8H C13H 119.5(9) . . ?
C10H C9H C8H 121.4(9) . . ?
C10H C9H H9H 119.3 . . ?
C8H C9H H9H 119.3 . . ?
C9H C10H C11H 119.4(10) . . ?
C9H C10H H10H 120.3 . . ?
C11H C10H H10H 120.3 . . ?
C12H C11H C10H 120.9(11) . . ?
C12H C11H H11H 119.6 . . ?
C10H C11H H11H 119.6 . . ?
C13H C12H C11H 120.0(10) . . ?
C13H C12H H12H 120.0 . . ?
C11H C12H H12H 120.0 . . ?
N3H C13H C12H 121.0(8) . . ?
N3H C13H C8H 120.1(9) . . ?
C12H C13H C8H 118.8(9) . . ?
N3H C14H C7H 124.7(9) . . ?
N3H C14H C0H 126.6(8) . . ?
C7H C14H C0H 108.6(8) . . ?
N1I O1I Co5 115.3(7) . . ?
O1I N1I C0I 117.2(10) . . ?
O1I N1I Co6 125.0(7) . . ?
C0I N1I Co6 117.8(8) . . ?
N1I C0I C14I 115.5(11) . . ?
N1I C0I C1I 132.5(12) . . ?
C14I C0I C1I 111.1(10) . . ?
C2I C1I C0I 135.4(11) . . ?
C2I C1I C6I 118.8(12) . . ?
C0I C1I C6I 105.7(12) . . ?
C1I C2I C3I 123.1(12) . . ?
C1I C2I H2I 118.4 . . ?
C3I C2I H2I 118.4 . . ?
C2I C3I C4I 115.8(14) . . ?
C2I C3I H3I 122.1 . . ?
C4I C3I H3I 122.1 . . ?
C5I C4I C3I 123.7(13) . . ?
C5I C4I H4I 118.1 . . ?
C3I C4I H4I 118.1 . . ?
C4I C5I C6I 116.2(14) . . ?
C4I C5I H5I 121.9 . . ?
C6I C5I H5I 121.9 . . ?
C5I C6I C1I 122.3(15) . . ?
C5I C6I C7I 128.9(12) . . ?
C1I C6I C7I 108.8(11) . . ?
N2I C7I C14I 121.7(14) . . ?
N2I C7I C6I 131.6(11) . . ?
C14I C7I C6I 106.7(11) . . ?
C7I N2I C8I 116.7(11) . . ?
C14I N3I C13I 115.2(10) . . ?
C14I N3I Co6 102.1(7) . . ?
C13I N3I Co6 141.2(9) . . ?
C9I C8I N2I 117.8(13) . . ?
C9I C8I C13I 120.6(16) . . ?
N2I C8I C13I 121.6(13) . . ?
C10I C9I C8I 119.2(15) . . ?
C10I C9I H9I 120.4 . . ?
C8I C9I H9I 120.4 . . ?
C9I C10I C11I 122.6(15) . . ?
C9I C10I H10I 118.7 . . ?
C11I C10I H10I 118.7 . . ?
C12I C11I C10I 118.8(16) . . ?
C12I C11I H11I 120.6 . . ?
C10I C11I H11I 120.6 . . ?
C11I C12I C13I 121.4(13) . . ?
C11I C12I H12I 119.3 . . ?
C13I C12I H12I 119.3 . . ?
C12I C13I N3I 123.6(12) . . ?
C12I C13I C8I 117.2(13) . . ?
N3I C13I C8I 119.2(15) . . ?
N3I C14I C0I 127.0(10) . . ?
N3I C14I C7I 125.4(12) . . ?
C0I C14I C7I 107.6(12) . . ?
N1J O1J Co7 110.3(5) . . ?
C0J N1J O1J 119.0(7) . . ?
C0J N1J Co6 112.0(6) . . ?
O1J N1J Co6 128.6(6) . . ?
N1J C0J C1J 136.5(9) . . ?
N1J C0J C14J 115.6(8) . . ?
C1J C0J C14J 107.9(8) . . ?
C2J C1J C6J 120.3(10) . . ?
C2J C1J C0J 131.7(9) . . ?
C6J C1J C0J 108.0(9) . . ?
C1J C2J C3J 118.5(11) . . ?
C1J C2J H2J 120.7 . . ?
C3J C2J H2J 120.7 . . ?
C4J C3J C2J 120.9(11) . . ?
C4J C3J H3J 119.5 . . ?
C2J C3J H3J 119.5 . . ?
C3J C4J C5J 120.5(11) . . ?
C3J C4J H4J 119.7 . . ?
C5J C4J H4J 119.7 . . ?
C4J C5J C6J 119.6(11) . . ?
C4J C5J H5J 120.2 . . ?
C6J C5J H5J 120.2 . . ?
C5J C6J C1J 120.1(10) . . ?
C5J C6J C7J 130.5(10) . . ?
C1J C6J C7J 109.4(8) . . ?
N2J C7J C14J 123.4(9) . . ?
N2J C7J C6J 131.0(9) . . ?
C14J C7J C6J 105.6(9) . . ?
C7J N2J C8J 111.7(9) . . ?
C14J N3J C13J 114.8(8) . . ?
C14J N3J Co6 105.4(6) . . ?
C13J N3J Co6 139.8(7) . . ?
N2J C8J C9J 117.4(10) . . ?
N2J C8J C13J 126.1(10) . . ?
C9J C8J C13J 116.5(11) . . ?
C10J C9J C8J 122.4(12) . . ?
C10J C9J H9J 118.8 . . ?
C8J C9J H9J 118.8 . . ?
C9J C10J C11J 120.2(12) . . ?
C9J C10J H10J 119.9 . . ?
C11J C10J H10J 119.9 . . ?
C12J C11J C10J 119.8(12) . . ?
C12J C11J H11J 120.1 . . ?
C10J C11J H11J 120.1 . . ?
C11J C12J C13J 120.5(11) . . ?
C11J C12J H12J 119.7 . . ?
C13J C12J H12J 119.7 . . ?
C12J C13J N3J 120.3(9) . . ?
C12J C13J C8J 120.5(9) . . ?
N3J C13J C8J 119.1(9) . . ?
N3J C14J C7J 124.7(9) . . ?
N3J C14J C0J 126.2(9) . . ?
C7J C14J C0J 109.1(8) . . ?
N1K O1K Co7 124.1(5) . . ?
C0K N1K O1K 115.3(8) . . ?
C0K N1K Co8 129.8(7) . . ?
O1K N1K Co8 114.8(5) . . ?
N1K C0K C14K 121.5(9) . . ?
N1K C0K C1K 130.5(10) . . ?
C14K C0K C1K 108.0(9) . . ?
C2K C1K C6K 120.6(10) . . ?
C2K C1K C0K 131.9(10) . . ?
C6K C1K C0K 107.5(10) . . ?
C1K C2K C3K 116.8(13) . . ?
C1K C2K H2K 121.6 . . ?
C3K C2K H2K 121.6 . . ?
C4K C3K C2K 123.8(15) . . ?
C4K C3K H3K 118.1 . . ?
C2K C3K H3K 118.1 . . ?
C3K C4K C5K 119.4(12) . . ?
C3K C4K H4K 120.3 . . ?
C5K C4K H4K 120.3 . . ?
C6K C5K C4K 118.4(11) . . ?
C6K C5K H5K 120.8 . . ?
C4K C5K H5K 120.8 . . ?
C5K C6K C1K 120.8(12) . . ?
C5K C6K C7K 130.2(12) . . ?
C1K C6K C7K 109.0(10) . . ?
N2K C7K C6K 130.1(12) . . ?
N2K C7K C14K 120.7(13) . . ?
C6K C7K C14K 109.1(10) . . ?
C7K N2K C8K 115.1(12) . . ?
C14K N3K C13K 114.8(10) . . ?
N2K C8K C9K 120.6(15) . . ?
N2K C8K C13K 124.2(11) . . ?
C9K C8K C13K 115.2(15) . . ?
C10K C9K C8K 122.2(18) . . ?
C10K C9K H9K 118.9 . . ?
C8K C9K H9K 118.9 . . ?
C9K C10K C11K 122.6(17) . . ?
C9K C10K H10K 118.7 . . ?
C11K C10K H10K 118.7 . . ?
C10K C11K C12K 116.7(18) . . ?
C10K C11K H11K 121.7 . . ?
C12K C11K H11K 121.7 . . ?
C13K C12K C11K 122.4(17) . . ?
C13K C12K H12K 118.8 . . ?
C11K C12K H12K 118.8 . . ?
C12K C13K N3K 120.0(13) . . ?
C12K C13K C8K 120.6(12) . . ?
N3K C13K C8K 119.3(11) . . ?
N3K C14K C0K 127.9(10) . . ?
N3K C14K C7K 125.7(11) . . ?
C0K C14K C7K 106.4(10) . . ?
N1L O1L Co8 131.3(6) . . ?
N1L O1L Co9 115.5(6) . . ?
Co8 O1L Co9 111.4(3) . . ?
O1L N1L C0L 114.8(8) . . ?
N1L C0L C14L 132.9(9) . . ?
N1L C0L C1L 118.5(10) . . ?
C14L C0L C1L 108.6(9) . . ?
C2L C1L C6L 120.8(10) . . ?
C2L C1L C0L 132.4(11) . . ?
C6L C1L C0L 106.8(10) . . ?
C1L C2L C3L 118.1(12) . . ?
C1L C2L H2L 121.0 . . ?
C3L C2L H2L 121.0 . . ?
C4L C3L C2L 122.1(13) . . ?
C4L C3L H3L 119.0 . . ?
C2L C3L H3L 119.0 . . ?
C5L C4L C3L 120.6(12) . . ?
C5L C4L H4L 119.7 . . ?
C3L C4L H4L 119.7 . . ?
C4L C5L C6L 119.1(12) . . ?
C4L C5L H5L 120.5 . . ?
C6L C5L H5L 120.5 . . ?
C1L C6L C5L 119.4(12) . . ?
C1L C6L C7L 110.7(10) . . ?
C5L C6L C7L 129.9(11) . . ?
N2L C7L C6L 130.5(10) . . ?
N2L C7L C14L 122.6(10) . . ?
C6L C7L C14L 106.8(10) . . ?
C7L N2L C8L 116.0(9) . . ?
C14L N3L C13L 116.6(8) . . ?
C14L N3L Co8 114.6(7) . . ?
C13L N3L Co8 127.8(7) . . ?
N2L C8L C13L 122.4(10) . . ?
N2L C8L C9L 119.1(10) . . ?
C13L C8L C9L 118.5(10) . . ?
C10L C9L C8L 120.6(10) . . ?
C10L C9L H9L 119.7 . . ?
C8L C9L H9L 119.7 . . ?
C9L C10L C11L 120.4(11) . . ?
C9L C10L H10X 119.8 . . ?
C11L C10L H10X 119.8 . . ?
C12L C11L C10L 120.3(11) . . ?
C12L C11L H11X 119.8 . . ?
C10L C11L H11X 119.8 . . ?
C11L C12L C13L 121.1(10) . . ?
C11L C12L H12X 119.4 . . ?
C13L C12L H12X 119.4 . . ?
N3L C13L C12L 120.9(10) . . ?
N3L C13L C8L 120.1(10) . . ?
C12L C13L C8L 119.0(10) . . ?
N3L C14L C0L 130.6(9) . . ?
N3L C14L C7L 122.3(10) . . ?
C0L C14L C7L 107.0(9) . . ?
N1N O1N Co9 118.1(6) . . ?
O1N N1N C0N 115.1(8) . . ?
O1N N1N Co10 128.4(6) . . ?
C0N N1N Co10 116.2(7) . . ?
N1N C0N C1N 138.6(10) . . ?
N1N C0N C14N 114.0(9) . . ?
C1N C0N C14N 107.2(9) . . ?
C2N C1N C6N 119.7(11) . . ?
C2N C1N C0N 130.6(10) . . ?
C6N C1N C0N 109.6(11) . . ?
C3N C2N C1N 119.0(13) . . ?
C3N C2N H2N 120.5 . . ?
C1N C2N H2N 120.5 . . ?
C2N C3N C4N 123.3(16) . . ?
C2N C3N H3N 118.4 . . ?
C4N C3N H3N 118.4 . . ?
C3N C4N C5N 121.9(13) . . ?
C3N C4N H4N 119.1 . . ?
C5N C4N H4N 119.1 . . ?
C6N C5N C4N 113.4(13) . . ?
C6N C5N H5N 123.3 . . ?
C4N C5N H5N 123.3 . . ?
C5N C6N C1N 122.5(13) . . ?
C5N C6N C7N 129.7(12) . . ?
C1N C6N C7N 107.7(9) . . ?
N2N C7N C14N 120.8(12) . . ?
N2N C7N C6N 132.1(10) . . ?
C14N C7N C6N 107.1(9) . . ?
C8N N2N C7N 115.2(9) . . ?
C14N N3N C13N 113.5(8) . . ?
C14N N3N Co10 104.8(6) . . ?
C13N N3N Co10 140.6(7) . . ?
N2N C8N C9N 116.3(11) . . ?
N2N C8N C13N 122.7(10) . . ?
C9N C8N C13N 120.9(13) . . ?
C10N C9N C8N 120.5(14) . . ?
C10N C9N H9N 119.7 . . ?
C8N C9N H9N 119.7 . . ?
C9N C10N C11N 121.6(13) . . ?
C9N C10N H10N 119.2 . . ?
C11N C10N H10N 119.2 . . ?
C10N C11N C12N 118.6(13) . . ?
C10N C11N H11N 120.7 . . ?
C12N C11N H11N 120.7 . . ?
C13N C12N C11N 121.2(12) . . ?
C13N C12N H12N 119.4 . . ?
C11N C12N H12N 119.4 . . ?
N3N C13N C12N 121.7(10) . . ?
N3N C13N C8N 121.2(10) . . ?
C12N C13N C8N 117.1(11) . . ?
N3N C14N C7N 126.4(10) . . ?
N3N C14N C0N 125.4(8) . . ?
C7N C14N C0N 108.2(10) . . ?
N1O O1O Co10 123.8(6) . . ?
O1O N1O C0O 116.1(8) . . ?
O1O N1O Co3 131.1(6) . . ?
C0O N1O Co3 112.8(7) . . ?
N1O C0O C14O 115.7(9) . . ?
N1O C0O C1O 135.2(10) . . ?
C14O C0O C1O 108.6(9) . . ?
C2O C1O C6O 121.2(11) . . ?
C2O C1O C0O 131.5(12) . . ?
C6O C1O C0O 107.4(11) . . ?
C3O C2O C1O 121.8(16) . . ?
C3O C2O H2O 119.1 . . ?
C1O C2O H2O 119.1 . . ?
C2O C3O C4O 117.8(16) . . ?
C2O C3O H3O 121.1 . . ?
C4O C3O H3O 121.1 . . ?
C3O C4O C5O 126.5(13) . . ?
C3O C4O H4O 116.7 . . ?
C5O C4O H4O 116.7 . . ?
C4O C5O C6O 112.1(14) . . ?
C4O C5O H5O 123.9 . . ?
C6O C5O H5O 123.9 . . ?
C1O C6O C7O 109.4(9) . . ?
C1O C6O C5O 120.5(14) . . ?
C7O C6O C5O 130.1(14) . . ?
N2O C7O C6O 132.8(11) . . ?
N2O C7O C14O 119.4(12) . . ?
C6O C7O C14O 107.7(10) . . ?
C7O N2O C8O 118.6(10) . . ?
C14O N3O C13O 114.4(8) . . ?
C14O N3O Co3 104.8(6) . . ?
C13O N3O Co3 139.9(7) . . ?
N2O C8O C9O 122.3(12) . . ?
N2O C8O C13O 122.3(10) . . ?
C9O C8O C13O 115.3(13) . . ?
C10O C9O C8O 121.8(13) . . ?
C10O C9O H9O 119.1 . . ?
C8O C9O H9O 119.1 . . ?
C9O C10O C11O 124.8(13) . . ?
C9O C10O H10O 117.6 . . ?
C11O C10O H10O 117.6 . . ?
C10O C11O C12O 117.6(12) . . ?
C10O C11O H11O 121.2 . . ?
C12O C11O H11O 121.2 . . ?
C11O C12O C13O 119.5(11) . . ?
C11O C12O H12O 120.3 . . ?
C13O C12O H12O 120.3 . . ?
N3O C13O C12O 121.5(10) . . ?
N3O C13O C8O 117.6(10) . . ?
C12O C13O C8O 120.9(11) . . ?
N3O C14O C0O 125.8(8) . . ?
N3O C14O C7O 127.3(11) . . ?
C0O C14O C7O 106.9(10) . . ?
C1M O1M Co4 115.2(11) . . ?
C1M O1M Co5 131.6(11) . . ?
Co4 O1M Co5 111.0(3) . . ?
O1M C1M H1M1 109.5 . . ?
O1M C1M H1M2 109.5 . . ?
H1M1 C1M H1M2 109.5 . . ?
O1M C1M H1M3 109.5 . . ?
H1M1 C1M H1M3 109.5 . . ?
H1M2 C1M H1M3 109.5 . . ?
O31 Cl1 O41 111.9(13) . . ?
O31 Cl1 O21 111.0(10) . . ?
O41 Cl1 O21 104.2(10) . . ?
O31 Cl1 O11 102.2(16) . . ?
O41 Cl1 O11 110.6(12) . . ?
O21 Cl1 O11 117.1(14) . . ?
O42 Cl2 O32 106(2) . . ?
Cl21 Cl2 O22 94(2) . . ?
O42 Cl2 O22 118(2) . . ?
O32 Cl2 O22 114.5(18) . . ?
Cl21 Cl2 O12 49.1(18) . . ?
O42 Cl2 O12 98.7(19) . . ?
O32 Cl2 O12 114.4(17) . . ?
O22 Cl2 O12 104.8(15) . . ?
C2M O2M H2M 110.0 . . ?
O2M C2M H2M1 109.7 . . ?
O2M C2M H2M2 109.2 . . ?
H2M1 C2M H2M2 109.5 . . ?
O2M C2M H2M3 109.5 . . ?
H2M1 C2M H2M3 109.5 . . ?
H2M2 C2M H2M3 109.5 . . ?
C3M O3M H3M 104.9 . . ?
O3M C3M H3M1 105.1 . . ?
O3M C3M H3M2 110.6 . . ?
H3M1 C3M H3M2 109.5 . . ?
O3M C3M H3M3 112.6 . . ?
H3M1 C3M H3M3 109.5 . . ?
H3M2 C3M H3M3 109.5 . . ?
C4M O4M H4M 106.5 . . ?
O4M C4M H4M1 109.5 . . ?
O4M C4M H4M2 109.4 . . ?
H4M1 C4M H4M2 109.5 . . ?
O4M C4M H4M3 109.5 . . ?
H4M1 C4M H4M3 109.5 . . ?
H4M2 C4M H4M3 109.5 . . ?
C5M O5M H5M 109.5 . . ?
O5M C5M H5M1 109.5 . . ?
O5M C5M H5M2 109.5 . . ?
H5M1 C5M H5M2 109.5 . . ?
O5M C5M H5M3 109.5 . . ?
H5M1 C5M H5M3 109.5 . . ?
H5M2 C5M H5M3 109.5 . . ?
C6M O6M H6M 114.8 . . ?
O6M C6M H6M1 111.7 . . ?
O6M C6M H6M2 106.8 . . ?
H6M1 C6M H6M2 109.5 . . ?
O6M C6M H6M3 109.8 . . ?
H6M1 C6M H6M3 109.5 . . ?
H6M2 C6M H6M3 109.5 . . ?
C7M O7M H7M 109.5 . . ?
O7M C7M H7M1 107.1 . . ?
O7M C7M H7M2 110.4 . . ?
H7M1 C7M H7M2 109.5 . . ?
O7M C7M H7M3 110.9 . . ?
H7M1 C7M H7M3 109.5 . . ?
H7M2 C7M H7M3 109.5 . . ?
C8M O8M H8M 109.5 . . ?
O8M C8M H8M1 109.2 . . ?
O8M C8M H8M2 109.4 . . ?
H8M1 C8M H8M2 109.5 . . ?
O8M C8M H8M3 109.9 . . ?
H8M1 C8M H8M3 109.5 . . ?
H8M2 C8M H8M3 109.5 . . ?
C9M O9M H9M 109.5 . . ?
O9M C9M H9M1 109.5 . . ?
O9M C9M H9M2 109.5 . . ?
H9M1 C9M H9M2 109.5 . . ?
O9M C9M H9M3 109.5 . . ?
H9M1 C9M H9M3 109.5 . . ?
H9M2 C9M H9M3 109.5 . . ?
C10M O10M H10M 109.5 . . ?
O10M C10M H10L 109.5 . . ?
O10M C10M H10Q 109.5 . . ?
H10L C10M H10Q 109.5 . . ?
O10M C10M H10R 109.5 . . ?
H10L C10M H10R 109.5 . . ?
H10Q C10M H10R 109.5 . . ?
O5W O4W O6W 70(4) . . ?
O4W O5W O6W 64(4) . . ?
O4W O6W O5W 46(3) . . ?
C11M O11M H11M 109.5 . . ?
O11M C11M H11L 109.5 . . ?
O11M C11M H11Q 109.5 . . ?
H11L C11M H11Q 109.5 . . ?
O11M C11M H11R 109.5 . . ?
H11L C11M H11R 109.5 . . ?
H11Q C11M H11R 109.5 . . ?
C12M O12M H12M 109.5 . . ?
O12M C12M H12L 109.5 . . ?
O12M C12M H12Q 109.5 . . ?
H12L C12M H12Q 109.5 . . ?
O12M C12M H12R 109.5 . . ?
H12L C12M H12R 109.5 . . ?
H12Q C12M H12R 109.5 . . ?
O13M C13M H13A 109.5 . . ?
O13M C13M H13B 109.5 . . ?
H13A C13M H13B 109.5 . . ?
O13M C13M H13C 109.5 . . ?
H13A C13M H13C 109.5 . . ?
H13B C13M H13C 109.5 . . ?
C13M O13M H13M 109.5 . . ?
C14M O14M H14M 109.5 . . ?
O14M C14M H14A 109.5 . . ?
O14M C14M H14B 109.5 . . ?
H14A C14M H14B 109.5 . . ?
O14M C14M H14C 109.5 . . ?
H14A C14M H14C 109.5 . . ?
H14B C14M H14C 109.5 . . ?
C15M O15M H15M 109.5 . . ?
O15M C15M H15A 109.5 . . ?
O15M C15M H15B 109.5 . . ?
H15A C15M H15B 109.5 . . ?
O15M C15M H15C 109.5 . . ?
H15A C15M H15C 109.5 . . ?
H15B C15M H15C 109.5 . . ?
C16M O16M H16M 109.5 . . ?
O16M C16M H16A 109.5 . . ?
O16M C16M H16B 109.5 . . ?
H16A C16M H16B 109.5 . . ?
O16M C16M H16C 109.5 . . ?
H16A C16M H16C 109.5 . . ?
H16B C16M H16C 109.5 . . ?
O14W O13W O15W 156(4) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2 H2 N3B 0.86 2.26 2.984(8) 141.7 .
O3 H3 N3C 0.86 2.12 2.827(8) 139.3 .
C9A H9A O15W 0.95 2.53 3.43(4) 160.2 2_676
C12A H12A N2H 0.95 2.58 3.283(12) 131.0 2_676
C9D H9D O41 0.95 2.54 3.427(18) 154.6 .
C12D H12D N3N 0.95 2.53 3.327(11) 141.9 .
C12G H12G O1N 0.95 2.07 2.941(13) 151.3 .
C12G H12G N1N 0.95 2.54 3.279(13) 135.0 .
C12H H12H O1M 0.95 2.40 3.204(12) 142.2 .
C12I H12I N1J 0.95 2.51 3.273(14) 137.2 .
C9L H9L N3K 0.95 2.60 3.526(13) 163.7 2_667
C12L H12X O1K 0.95 2.39 3.339(13) 173.8 .
C12L H12X N1K 0.95 2.47 3.307(14) 146.7 .
C12N H12N O1O 0.95 2.54 3.342(13) 141.6 .
C12O H12O O1H 0.95 2.40 3.195(14) 140.6 .
C1M H1M3 N3A 0.98 2.16 2.78(3) 119.7 .
O1W H1W O2W 0.95 2.06 2.77(3) 129.7 .
O2M H2M N2C 0.84 2.11 2.890(9) 154.4 .
O3M H3M O3W 0.85 1.99 2.84(2) 179.0 .
C3M H3M1 O31 0.98 2.59 3.55(4) 165.3 1_455
C3M H3M1 O41 0.98 2.53 3.27(3) 131.9 1_455
O6M H6M O3M 0.85 1.93 2.78(3) 178.7 1_565
C6M H6M1 O31 0.98 2.45 3.35(3) 152.9 1_465
O8M H8M N2O 0.84 2.13 2.968(13) 176.9 1_445
C11M H11R O11 0.98 2.39 3.09(5) 128.7 1_455
O15M H15M O31 0.84 2.58 3.24(5) 136.1 2_766
C16M H16C N2J 0.98 2.61 3.41(5) 139.4 .

_refine_diff_density_max         1.123
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.127

_shelxl_version_number           2013-2



# start Validation Reply Form
_vrf_PLAT307_at578a              
;
PROBLEM: Isolated Metal Atom (Unusual !) ................
RESPONSE: In this model we assumed that there is 5% of complex containing 11
Co instead of 10 Co. Unfortunately  we were not able to find ligands
surrounding this Co atom.
;


_vrf_CELLZ01_at578a              
;
PROBLEM: Large difference may be due to a
RESPONSE: Hydrogen atoms from water molecules were not found. One of perchlorate
anion was disordered over three sites and we were not able to find oxygen atoms
of less occupied anions (Cl21 and Cl22).
;
# end Validation Reply Form


_database_code_depnum_ccdc_archive 'CCDC 989904'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_at1009a

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C82 H76 Co4 N12 O14, C H4 O, H2 O'
_chemical_formula_sum            'C83 H82 Co4 N12 O16'
_chemical_formula_weight         1739.32

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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-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                   14.988(6)
_cell_length_b                   19.712(8)
_cell_length_c                   26.760(12)
_cell_angle_alpha                90
_cell_angle_beta                 90.86(5)
_cell_angle_gamma                90
_cell_volume                     7905(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    3780
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      29.2

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_F_000             3600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    0.901
_exptl_absorpt_correction_T_min  0.943
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur with CCD Ruby detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22089
_diffrn_reflns_av_unetI/netI     0.4729
_diffrn_reflns_av_R_equivalents  0.3308
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.835
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_full        27.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.851
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.851
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.851
_reflns_number_total             7338
_reflns_number_gt                2145
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrysAlis CCD (Agilent, 2013)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2013)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0030P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7338
_refine_ls_number_parameters     474
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.3290
_refine_ls_R_factor_gt           0.1198
_refine_ls_wR_factor_ref         0.2307
_refine_ls_wR_factor_gt          0.1572
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.37927(12) 0.07463(8) 0.28372(7) 0.0296(5) Uani 1 1 d . . . . .
Co2 Co 0.52435(12) 0.17231(9) 0.33248(6) 0.0283(5) Uani 1 1 d . . . . .
O11 O 0.5082(5) 0.0700(4) 0.3184(3) 0.026(2) Uani 1 1 d . . . . .
N11 N 0.4373(7) 0.0392(6) 0.2140(4) 0.038(3) Uani 1 1 d . . . . .
N21 N 0.3522(7) -0.1803(5) 0.2651(4) 0.038(3) Uani 1 1 d . . . . .
N31 N 0.3516(6) -0.0373(5) 0.2865(4) 0.025(3) Uani 1 1 d . . . . .
C01 C 0.4205(9) -0.0256(7) 0.2054(5) 0.037(4) Uiso 1 1 d . . . . .
C11 C 0.4476(8) -0.0746(6) 0.1659(4) 0.024(3) Uiso 1 1 d . . . . .
C21 C 0.4886(8) -0.0681(6) 0.1207(5) 0.036(4) Uani 1 1 d . . . . .
H21 H 0.5076 -0.0250 0.1091 0.043 Uiso 1 1 calc R U . . .
C31 C 0.5018(9) -0.1263(7) 0.0922(5) 0.040(4) Uani 1 1 d . . . . .
H31 H 0.5278 -0.1224 0.0602 0.048 Uiso 1 1 calc R U . . .
C41 C 0.4779(9) -0.1897(7) 0.1097(6) 0.043(4) Uani 1 1 d . . . . .
H41 H 0.4906 -0.2290 0.0905 0.052 Uiso 1 1 calc R U . . .
C51 C 0.4355(9) -0.1960(7) 0.1549(6) 0.044(4) Uani 1 1 d . . . . .
H51 H 0.4171 -0.2395 0.1661 0.052 Uiso 1 1 calc R U . . .
C61 C 0.4196(9) -0.1390(7) 0.1843(5) 0.041(4) Uani 1 1 d . . . . .
C71 C 0.3791(8) -0.1330(6) 0.2339(5) 0.024(3) Uani 1 1 d . . . . .
C81 C 0.3201(9) -0.1538(7) 0.3083(5) 0.035(4) Uiso 1 1 d . . . . .
C91 C 0.2884(9) -0.1990(7) 0.3454(5) 0.041(4) Uiso 1 1 d . . . . .
H91 H 0.2916 -0.2465 0.3397 0.049 Uiso 1 1 calc R U . . .
C101 C 0.2542(8) -0.1765(7) 0.3882(5) 0.036(4) Uani 1 1 d . . . . .
H101 H 0.2314 -0.2081 0.4115 0.043 Uiso 1 1 calc R U . . .
C111 C 0.2513(9) -0.1085(7) 0.3990(5) 0.047(4) Uani 1 1 d . . . . .
H111 H 0.2266 -0.0937 0.4296 0.056 Uiso 1 1 calc R U . . .
C121 C 0.2843(8) -0.0610(7) 0.3654(5) 0.039(4) Uiso 1 1 d . . . . .
H121 H 0.2834 -0.0139 0.3731 0.047 Uiso 1 1 calc R U . . .
C131 C 0.3188(8) -0.0839(7) 0.3200(4) 0.027(3) Uani 1 1 d . . . . .
C141 C 0.3789(8) -0.0628(6) 0.2446(5) 0.022(3) Uiso 1 1 d . . . . .
O12 O 0.4055(5) 0.1770(4) 0.2806(3) 0.026(2) Uani 1 1 d . . . . .
N12 N 0.4132(6) 0.2077(5) 0.2346(4) 0.028(3) Uani 1 1 d . . . . .
N22 N 0.4343(7) 0.4243(5) 0.1618(4) 0.036(3) Uani 1 1 d . . . . .
N32 N 0.4569(6) 0.2823(5) 0.1492(4) 0.035(3) Uani 1 1 d . . . . .
C02 C 0.3997(7) 0.2748(7) 0.2345(5) 0.025(3) Uani 1 1 d . . . . .
C12 C 0.3712(8) 0.3259(6) 0.2698(4) 0.023(3) Uani 1 1 d . . . . .
C22 C 0.3385(8) 0.3195(6) 0.3173(5) 0.034(4) Uani 1 1 d . . . . .
H22 H 0.3336 0.2759 0.3321 0.040 Uiso 1 1 calc R U . . .
C32 C 0.3129(8) 0.3764(6) 0.3434(5) 0.035(4) Uani 1 1 d . . . . .
H32 H 0.2928 0.3727 0.3768 0.042 Uiso 1 1 calc R U . . .
C42 C 0.3170(9) 0.4390(7) 0.3201(6) 0.046(4) Uani 1 1 d . . . . .
H42 H 0.2967 0.4779 0.3376 0.055 Uiso 1 1 calc R U . . .
C52 C 0.3499(9) 0.4472(6) 0.2716(5) 0.039(4) Uani 1 1 d . . . . .
H52 H 0.3544 0.4906 0.2565 0.047 Uiso 1 1 calc R U . . .
C62 C 0.3759(8) 0.3880(7) 0.2467(5) 0.033(4) Uani 1 1 d . . . . .
C72 C 0.4112(8) 0.3799(7) 0.1974(5) 0.032(4) Uani 1 1 d . . . . .
C82 C 0.4640(9) 0.3974(7) 0.1187(5) 0.038(4) Uiso 1 1 d . . . . .
C92 C 0.4886(9) 0.4380(7) 0.0787(5) 0.041(4) Uiso 1 1 d . . . . .
H92 H 0.4863 0.4858 0.0830 0.050 Uiso 1 1 calc R U . . .
C102 C 0.5151(10) 0.4141(7) 0.0349(6) 0.063(5) Uani 1 1 d . . . . .
H102 H 0.5277 0.4449 0.0086 0.076 Uiso 1 1 calc R U . . .
C112 C 0.5246(10) 0.3456(8) 0.0271(6) 0.061(5) Uani 1 1 d . . . . .
H112 H 0.5440 0.3288 -0.0042 0.073 Uiso 1 1 calc R U . . .
C122 C 0.5054(9) 0.3020(8) 0.0654(5) 0.049(4) Uani 1 1 d . . . . .
H122 H 0.5129 0.2546 0.0607 0.058 Uiso 1 1 calc R U . . .
C132 C 0.4753(8) 0.3259(6) 0.1106(5) 0.028(3) Uani 1 1 d . . . . .
C142 C 0.4246(9) 0.3102(6) 0.1882(5) 0.028(3) Uiso 1 1 d . . . . .
O1M O 0.2609(5) 0.0921(4) 0.2462(3) 0.033(2) Uani 1 1 d . . . . .
H1M H 0.2668 0.0930 0.2149 0.050 Uiso 1 1 d R U . . .
C1M C 0.2017(10) 0.1488(7) 0.2622(6) 0.079(6) Uani 1 1 d . . . . .
H1M1 H 0.1902 0.1448 0.2980 0.118 Uiso 1 1 calc R U . . .
H1M2 H 0.1451 0.1466 0.2434 0.118 Uiso 1 1 calc R U . . .
H1M3 H 0.2309 0.1923 0.2555 0.118 Uiso 1 1 calc R U . . .
O13 O 0.4287(6) 0.1629(4) 0.3868(3) 0.036(2) Uani 1 1 d . . . . .
O23 O 0.3262(6) 0.0951(4) 0.3524(3) 0.036(2) Uani 1 1 d . . . . .
C13 C 0.3542(9) 0.1314(7) 0.3872(5) 0.032(4) Uiso 1 1 d . . . . .
C23 C 0.2985(10) 0.1414(7) 0.4334(5) 0.040(4) Uani 1 1 d . . . . .
C33 C 0.2232(9) 0.0897(6) 0.4366(5) 0.057(5) Uani 1 1 d . . . . .
H33A H 0.1883 0.0984 0.4666 0.086 Uiso 1 1 calc R U . . .
H33B H 0.2485 0.0439 0.4384 0.086 Uiso 1 1 calc R U . . .
H33C H 0.1845 0.0935 0.4069 0.086 Uiso 1 1 calc R U . . .
C43 C 0.3561(9) 0.1382(7) 0.4815(5) 0.056(5) Uani 1 1 d . . . . .
H43A H 0.3182 0.1452 0.5106 0.084 Uiso 1 1 calc R U . . .
H43B H 0.4018 0.1737 0.4806 0.084 Uiso 1 1 calc R U . . .
H43C H 0.3849 0.0937 0.4839 0.084 Uiso 1 1 calc R U . . .
C53 C 0.2583(9) 0.2120(7) 0.4297(5) 0.066(5) Uani 1 1 d . . . . .
H53A H 0.2210 0.2204 0.4589 0.099 Uiso 1 1 calc R U . . .
H53B H 0.2216 0.2154 0.3992 0.099 Uiso 1 1 calc R U . . .
H53C H 0.3062 0.2458 0.4287 0.099 Uiso 1 1 calc R U . . .
O14 O 0.6307(5) 0.1568(4) 0.3759(3) 0.038(3) Uani 1 1 d . . . . .
O24 O 0.7456(6) 0.0946(5) 0.3511(4) 0.057(3) Uani 1 1 d . . . . .
C14 C 0.6954(9) 0.1170(7) 0.3834(5) 0.034(4) Uani 1 1 d . . . . .
C24 C 0.7155(11) 0.1030(8) 0.4393(5) 0.048(5) Uani 1 1 d . . . . .
C341 C 0.662(3) 0.156(3) 0.4732(17) 0.077(5) Uani 0.320(13) 1 d . . P A 1
H34A H 0.6659 0.2014 0.4585 0.115 Uiso 0.320(13) 1 calc R U P A 1
H34B H 0.6881 0.1566 0.5070 0.115 Uiso 0.320(13) 1 calc R U P A 1
H34C H 0.5992 0.1423 0.4748 0.115 Uiso 0.320(13) 1 calc R U P A 1
C441 C 0.715(4) 0.036(3) 0.446(2) 0.077(5) Uani 0.320(13) 1 d . . P A 1
H44A H 0.7278 0.0259 0.4810 0.115 Uiso 0.320(13) 1 calc R U P A 1
H44B H 0.7612 0.0158 0.4249 0.115 Uiso 0.320(13) 1 calc R U P A 1
H44C H 0.6567 0.0181 0.4361 0.115 Uiso 0.320(13) 1 calc R U P A 1
C541 C 0.816(3) 0.130(3) 0.4524(19) 0.077(5) Uani 0.320(13) 1 d . . P A 1
H54A H 0.8163 0.1798 0.4536 0.115 Uiso 0.320(13) 1 calc R U P A 1
H54B H 0.8572 0.1148 0.4265 0.115 Uiso 0.320(13) 1 calc R U P A 1
H54C H 0.8359 0.1120 0.4848 0.115 Uiso 0.320(13) 1 calc R U P A 1
C342 C 0.6306(15) 0.0856(14) 0.4662(8) 0.077(5) Uani 0.680(13) 1 d . . P A 2
H34D H 0.6038 0.0449 0.4513 0.115 Uiso 0.680(13) 1 calc R U P A 2
H34E H 0.5886 0.1235 0.4633 0.115 Uiso 0.680(13) 1 calc R U P A 2
H34F H 0.6444 0.0770 0.5016 0.115 Uiso 0.680(13) 1 calc R U P A 2
C442 C 0.7812(17) 0.0398(13) 0.4435(9) 0.077(5) Uani 0.680(13) 1 d . . P A 2
H44D H 0.8379 0.0509 0.4277 0.115 Uiso 0.680(13) 1 calc R U P A 2
H44E H 0.7541 0.0005 0.4267 0.115 Uiso 0.680(13) 1 calc R U P A 2
H44F H 0.7922 0.0290 0.4788 0.115 Uiso 0.680(13) 1 calc R U P A 2
C542 C 0.7589(17) 0.1609(13) 0.4637(8) 0.077(5) Uani 0.680(13) 1 d . . P A 2
H54D H 0.8142 0.1718 0.4464 0.115 Uiso 0.680(13) 1 calc R U P A 2
H54E H 0.7728 0.1495 0.4986 0.115 Uiso 0.680(13) 1 calc R U P A 2
H54F H 0.7189 0.2002 0.4625 0.115 Uiso 0.680(13) 1 calc R U P A 2
O2M O 0.0163(13) 0.1070(11) 0.1728(10) 0.096(10) Uani 0.5 1 d D . P B 1
H2M H -0.0300 0.0835 0.1689 0.144 Uiso 0.5 1 calc R U P B 1
C2M C 0.0532(19) 0.1218(13) 0.1254(9) 0.055(9) Uiso 0.5 1 d D . P B 1
H2M1 H 0.0375 0.1682 0.1157 0.083 Uiso 0.5 1 calc R U P B 1
H2M2 H 0.0291 0.0900 0.1005 0.083 Uiso 0.5 1 calc R U P B 1
H2M3 H 0.1182 0.1172 0.1274 0.083 Uiso 0.5 1 calc R U P B 1
O1W O -0.051(3) 0.0781(18) 0.1522(14) 0.076(12) Uiso 0.3 1 d . . P C 2
O2W O -0.024(4) 0.070(2) 0.1980(19) 0.058(16) Uiso 0.2 1 d . . P D 3


_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 O23 2.053(8) . ?
Co1 O1M 2.055(8) . ?
Co1 O12 2.058(7) . ?
Co1 O11 2.133(8) . ?
Co1 N11 2.185(10) . ?
Co1 N31 2.246(9) . ?
Co2 O14 1.983(8) . ?
Co2 O13 2.065(8) . ?
Co2 O11 2.064(7) . ?
Co2 N12 2.153(10) 2_655 ?
Co2 N32 2.240(10) 2_655 ?
Co2 O12 2.244(8) . ?
O11 N11 1.345(11) 2_655 ?
N11 C01 1.321(14) . ?
N11 O11 1.345(11) 2_655 ?
N21 C71 1.319(14) . ?
N21 C81 1.363(14) . ?
N31 C141 1.300(13) . ?
N31 C131 1.379(13) . ?
C01 C141 1.430(15) . ?
C01 C11 1.493(16) . ?
C11 C21 1.371(14) . ?
C11 C61 1.428(15) . ?
C21 C31 1.394(15) . ?
C21 H21 0.9500 . ?
C31 C41 1.383(15) . ?
C31 H31 0.9500 . ?
C41 C51 1.381(16) . ?
C41 H41 0.9500 . ?
C51 C61 1.393(16) . ?
C51 H51 0.9500 . ?
C61 C71 1.473(16) . ?
C71 C141 1.413(14) . ?
C81 C131 1.412(15) . ?
C81 C91 1.422(15) . ?
C91 C101 1.337(15) . ?
C91 H91 0.9500 . ?
C101 C111 1.371(15) . ?
C101 H101 0.9500 . ?
C111 C121 1.395(15) . ?
C111 H111 0.9500 . ?
C121 C131 1.402(15) . ?
C121 H121 0.9500 . ?
O12 N12 1.379(11) . ?
N12 C02 1.338(13) . ?
N12 Co2 2.153(10) 2_655 ?
N22 C72 1.343(14) . ?
N22 C82 1.352(15) . ?
N32 C142 1.280(14) . ?
N32 C132 1.373(13) . ?
N32 Co2 2.240(10) 2_655 ?
C02 C12 1.448(15) . ?
C02 C142 1.476(16) . ?
C12 C22 1.375(15) . ?
C12 C62 1.374(15) . ?
C22 C32 1.378(14) . ?
C22 H22 0.9500 . ?
C32 C42 1.385(16) . ?
C32 H32 0.9500 . ?
C42 C52 1.404(17) . ?
C42 H42 0.9500 . ?
C52 C62 1.402(15) . ?
C52 H52 0.9500 . ?
C62 C72 1.437(16) . ?
C72 C142 1.410(16) . ?
C82 C92 1.391(16) . ?
C82 C132 1.437(15) . ?
C92 C102 1.331(16) . ?
C92 H92 0.9500 . ?
C102 C112 1.375(16) . ?
C102 H102 0.9500 . ?
C112 C122 1.371(16) . ?
C112 H112 0.9500 . ?
C122 C132 1.380(15) . ?
C122 H122 0.9500 . ?
O1M C1M 1.494(14) . ?
O1M H1M 0.8420 . ?
C1M H1M1 0.9800 . ?
C1M H1M2 0.9800 . ?
C1M H1M3 0.9800 . ?
O13 C13 1.277(14) . ?
O23 C13 1.244(14) . ?
C13 C23 1.515(17) . ?
C23 C53 1.519(16) . ?
C23 C33 1.523(16) . ?
C23 C43 1.540(18) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
O14 C14 1.260(13) . ?
O24 C14 1.237(13) . ?
C14 C24 1.545(17) . ?
C24 C441 1.32(5) . ?
C24 C542 1.46(2) . ?
C24 C342 1.51(2) . ?
C24 C442 1.59(3) . ?
C24 C341 1.61(5) . ?
C24 C541 1.64(5) . ?
C341 H34A 0.9800 . ?
C341 H34B 0.9800 . ?
C341 H34C 0.9800 . ?
C441 H44A 0.9800 . ?
C441 H44B 0.9800 . ?
C441 H44C 0.9800 . ?
C541 H54A 0.9800 . ?
C541 H54B 0.9800 . ?
C541 H54C 0.9800 . ?
C342 H34D 0.9800 . ?
C342 H34E 0.9800 . ?
C342 H34F 0.9800 . ?
C442 H44D 0.9800 . ?
C442 H44E 0.9800 . ?
C442 H44F 0.9800 . ?
C542 H54D 0.9800 . ?
C542 H54E 0.9800 . ?
C542 H54F 0.9800 . ?
O2M C2M 1.419(17) . ?
O2M H2M 0.8400 . ?
C2M H2M1 0.9800 . ?
C2M H2M2 0.9800 . ?
C2M H2M3 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
O23 Co1 O1M 93.5(3) . . ?
O23 Co1 O12 85.4(3) . . ?
O1M Co1 O12 88.8(3) . . ?
O23 Co1 O11 88.8(3) . . ?
O1M Co1 O11 171.8(3) . . ?
O12 Co1 O11 83.5(3) . . ?
O23 Co1 N11 172.5(4) . . ?
O1M Co1 N11 89.3(4) . . ?
O12 Co1 N11 101.6(4) . . ?
O11 Co1 N11 89.3(3) . . ?
O23 Co1 N31 95.1(3) . . ?
O1M Co1 N31 91.3(3) . . ?
O12 Co1 N31 179.4(4) . . ?
O11 Co1 N31 96.4(3) . . ?
N11 Co1 N31 77.9(4) . . ?
O14 Co2 O13 97.7(4) . . ?
O14 Co2 O11 92.7(3) . . ?
O13 Co2 O11 87.7(3) . . ?
O14 Co2 N12 100.5(4) . 2_655 ?
O13 Co2 N12 158.5(4) . 2_655 ?
O11 Co2 N12 102.5(4) . 2_655 ?
O14 Co2 N32 85.6(4) . 2_655 ?
O13 Co2 N32 91.1(3) . 2_655 ?
O11 Co2 N32 177.8(4) . 2_655 ?
N12 Co2 N32 79.3(4) 2_655 2_655 ?
O14 Co2 O12 173.2(3) . . ?
O13 Co2 O12 83.4(3) . . ?
O11 Co2 O12 80.7(3) . . ?
N12 Co2 O12 79.8(3) 2_655 . ?
N32 Co2 O12 101.1(3) 2_655 . ?
N11 O11 Co2 119.3(7) 2_655 . ?
N11 O11 Co1 107.1(6) 2_655 . ?
Co2 O11 Co1 98.1(3) . . ?
C01 N11 O11 116.2(11) . 2_655 ?
C01 N11 Co1 112.3(9) . . ?
O11 N11 Co1 131.2(8) 2_655 . ?
C71 N21 C81 112.3(11) . . ?
C141 N31 C131 114.9(11) . . ?
C141 N31 Co1 107.0(8) . . ?
C131 N31 Co1 138.0(9) . . ?
N11 C01 C141 117.0(12) . . ?
N11 C01 C11 134.0(13) . . ?
C141 C01 C11 108.2(12) . . ?
C21 C11 C61 121.7(12) . . ?
C21 C11 C01 134.0(12) . . ?
C61 C11 C01 104.3(11) . . ?
C11 C21 C31 118.4(12) . . ?
C11 C21 H21 120.8 . . ?
C31 C21 H21 120.8 . . ?
C41 C31 C21 121.3(13) . . ?
C41 C31 H31 119.3 . . ?
C21 C31 H31 119.3 . . ?
C31 C41 C51 120.1(13) . . ?
C31 C41 H41 119.9 . . ?
C51 C41 H41 119.9 . . ?
C41 C51 C61 120.5(12) . . ?
C41 C51 H51 119.7 . . ?
C61 C51 H51 119.7 . . ?
C51 C61 C11 118.0(12) . . ?
C51 C61 C71 130.5(13) . . ?
C11 C61 C71 111.5(12) . . ?
N21 C71 C141 124.2(12) . . ?
N21 C71 C61 130.4(12) . . ?
C141 C71 C61 105.2(11) . . ?
N21 C81 C131 124.6(12) . . ?
N21 C81 C91 118.5(13) . . ?
C131 C81 C91 116.9(13) . . ?
C101 C91 C81 121.7(13) . . ?
C101 C91 H91 119.1 . . ?
C81 C91 H91 119.1 . . ?
C91 C101 C111 121.2(13) . . ?
C91 C101 H101 119.4 . . ?
C111 C101 H101 119.4 . . ?
C101 C111 C121 120.5(14) . . ?
C101 C111 H111 119.7 . . ?
C121 C111 H111 119.7 . . ?
C111 C121 C131 118.7(13) . . ?
C111 C121 H121 120.6 . . ?
C131 C121 H121 120.6 . . ?
N31 C131 C121 119.2(12) . . ?
N31 C131 C81 120.0(12) . . ?
C121 C131 C81 120.8(12) . . ?
N31 C141 C71 123.7(11) . . ?
N31 C141 C01 125.3(12) . . ?
C71 C141 C01 110.7(12) . . ?
N12 O12 Co1 119.0(7) . . ?
N12 O12 Co2 119.6(6) . . ?
Co1 O12 Co2 94.9(3) . . ?
C02 N12 O12 114.9(10) . . ?
C02 N12 Co2 112.8(8) . 2_655 ?
O12 N12 Co2 130.2(8) . 2_655 ?
C72 N22 C82 116.1(12) . . ?
C142 N32 C132 115.2(12) . . ?
C142 N32 Co2 106.6(9) . 2_655 ?
C132 N32 Co2 138.0(9) . 2_655 ?
N12 C02 C12 137.0(12) . . ?
N12 C02 C142 115.4(11) . . ?
C12 C02 C142 107.5(11) . . ?
C22 C12 C62 121.2(12) . . ?
C22 C12 C02 130.7(12) . . ?
C62 C12 C02 108.0(11) . . ?
C12 C22 C32 120.0(12) . . ?
C12 C22 H22 120.0 . . ?
C32 C22 H22 120.0 . . ?
C22 C32 C42 118.9(13) . . ?
C22 C32 H32 120.6 . . ?
C42 C32 H32 120.6 . . ?
C32 C42 C52 122.4(13) . . ?
C32 C42 H42 118.8 . . ?
C52 C42 H42 118.8 . . ?
C62 C52 C42 116.7(12) . . ?
C62 C52 H52 121.7 . . ?
C42 C52 H52 121.7 . . ?
C12 C62 C52 120.7(13) . . ?
C12 C62 C72 109.6(11) . . ?
C52 C62 C72 129.7(14) . . ?
N22 C72 C142 118.2(13) . . ?
N22 C72 C62 132.8(13) . . ?
C142 C72 C62 109.0(12) . . ?
N22 C82 C92 121.6(13) . . ?
N22 C82 C132 123.7(13) . . ?
C92 C82 C132 114.6(13) . . ?
C102 C92 C82 124.1(14) . . ?
C102 C92 H92 118.0 . . ?
C82 C92 H92 118.0 . . ?
C92 C102 C112 121.0(14) . . ?
C92 C102 H102 119.5 . . ?
C112 C102 H102 119.5 . . ?
C122 C112 C102 118.6(14) . . ?
C122 C112 H112 120.7 . . ?
C102 C112 H112 120.7 . . ?
C112 C122 C132 121.1(14) . . ?
C112 C122 H122 119.4 . . ?
C132 C122 H122 119.4 . . ?
N32 C132 C122 121.2(13) . . ?
N32 C132 C82 118.3(12) . . ?
C122 C132 C82 120.5(12) . . ?
N32 C142 C72 128.2(13) . . ?
N32 C142 C02 125.8(13) . . ?
C72 C142 C02 105.9(12) . . ?
C1M O1M Co1 119.9(7) . . ?
C1M O1M H1M 109.9 . . ?
Co1 O1M H1M 112.8 . . ?
O1M C1M H1M1 109.5 . . ?
O1M C1M H1M2 109.5 . . ?
H1M1 C1M H1M2 109.5 . . ?
O1M C1M H1M3 109.5 . . ?
H1M1 C1M H1M3 109.5 . . ?
H1M2 C1M H1M3 109.5 . . ?
C13 O13 Co2 131.8(9) . . ?
C13 O23 Co1 130.8(9) . . ?
O23 C13 O13 123.9(13) . . ?
O23 C13 C23 120.1(12) . . ?
O13 C13 C23 115.9(13) . . ?
C13 C23 C53 106.9(11) . . ?
C13 C23 C33 112.1(11) . . ?
C53 C23 C33 108.9(13) . . ?
C13 C23 C43 111.5(12) . . ?
C53 C23 C43 108.0(11) . . ?
C33 C23 C43 109.4(12) . . ?
C23 C33 H33A 109.5 . . ?
C23 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C23 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C23 C43 H43A 109.5 . . ?
C23 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C23 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C23 C53 H53A 109.5 . . ?
C23 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C23 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C14 O14 Co2 143.1(9) . . ?
O24 C14 O14 125.8(14) . . ?
O24 C14 C24 120.1(13) . . ?
O14 C14 C24 113.8(12) . . ?
C542 C24 C342 109.6(16) . . ?
C441 C24 C14 108(3) . . ?
C542 C24 C14 111.8(15) . . ?
C342 C24 C14 110.4(14) . . ?
C542 C24 C442 107.9(17) . . ?
C342 C24 C442 108.2(17) . . ?
C14 C24 C442 108.7(13) . . ?
C441 C24 C341 125(3) . . ?
C14 C24 C341 110(2) . . ?
C441 C24 C541 107(3) . . ?
C14 C24 C541 108(2) . . ?
C341 C24 C541 98(3) . . ?
C24 C341 H34A 109.5 . . ?
C24 C341 H34B 109.5 . . ?
H34A C341 H34B 109.5 . . ?
C24 C341 H34C 109.5 . . ?
H34A C341 H34C 109.5 . . ?
H34B C341 H34C 109.5 . . ?
C24 C441 H44A 109.5 . . ?
C24 C441 H44B 109.5 . . ?
H44A C441 H44B 109.5 . . ?
C24 C441 H44C 109.5 . . ?
H44A C441 H44C 109.5 . . ?
H44B C441 H44C 109.5 . . ?
C24 C541 H54A 109.5 . . ?
C24 C541 H54B 109.5 . . ?
H54A C541 H54B 109.5 . . ?
C24 C541 H54C 109.5 . . ?
H54A C541 H54C 109.5 . . ?
H54B C541 H54C 109.5 . . ?
C24 C342 H34D 109.5 . . ?
C24 C342 H34E 109.5 . . ?
H34D C342 H34E 109.5 . . ?
C24 C342 H34F 109.5 . . ?
H34D C342 H34F 109.5 . . ?
H34E C342 H34F 109.5 . . ?
C24 C442 H44D 109.5 . . ?
C24 C442 H44E 109.5 . . ?
H44D C442 H44E 109.5 . . ?
C24 C442 H44F 109.5 . . ?
H44D C442 H44F 109.5 . . ?
H44E C442 H44F 109.5 . . ?
C24 C542 H54D 109.5 . . ?
C24 C542 H54E 109.5 . . ?
H54D C542 H54E 109.5 . . ?
C24 C542 H54F 109.5 . . ?
H54D C542 H54F 109.5 . . ?
H54E C542 H54F 109.5 . . ?
C2M O2M H2M 109.5 . . ?
O2M C2M H2M1 109.5 . . ?
O2M C2M H2M2 109.5 . . ?
H2M1 C2M H2M2 109.5 . . ?
O2M C2M H2M3 109.5 . . ?
H2M1 C2M H2M3 109.5 . . ?
H2M2 C2M H2M3 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
O11 N11 C01 C141 167.1(11) 2_655 . . . ?
Co1 N11 C01 C141 -7.7(15) . . . . ?
O11 N11 C01 C11 -2(2) 2_655 . . . ?
Co1 N11 C01 C11 -176.3(13) . . . . ?
N11 C01 C11 C21 -11(3) . . . . ?
C141 C01 C11 C21 179.5(14) . . . . ?
N11 C01 C11 C61 169.5(15) . . . . ?
C141 C01 C11 C61 0.2(15) . . . . ?
C61 C11 C21 C31 0.8(19) . . . . ?
C01 C11 C21 C31 -178.4(13) . . . . ?
C11 C21 C31 C41 -3(2) . . . . ?
C21 C31 C41 C51 4(2) . . . . ?
C31 C41 C51 C61 -2(2) . . . . ?
C41 C51 C61 C11 1(2) . . . . ?
C41 C51 C61 C71 -177.7(14) . . . . ?
C21 C11 C61 C51 0(2) . . . . ?
C01 C11 C61 C51 179.6(12) . . . . ?
C21 C11 C61 C71 178.8(12) . . . . ?
C01 C11 C61 C71 -1.8(15) . . . . ?
C81 N21 C71 C141 2.7(18) . . . . ?
C81 N21 C71 C61 178.4(13) . . . . ?
C51 C61 C71 N21 5(3) . . . . ?
C11 C61 C71 N21 -173.6(12) . . . . ?
C51 C61 C71 C141 -178.9(15) . . . . ?
C11 C61 C71 C141 2.7(14) . . . . ?
C71 N21 C81 C131 -2.5(19) . . . . ?
C71 N21 C81 C91 179.8(12) . . . . ?
N21 C81 C91 C101 -178.4(13) . . . . ?
C131 C81 C91 C101 4(2) . . . . ?
C81 C91 C101 C111 -3(2) . . . . ?
C91 C101 C111 C121 0(2) . . . . ?
C101 C111 C121 C131 1(2) . . . . ?
C141 N31 C131 C121 -177.4(11) . . . . ?
Co1 N31 C131 C121 6.5(19) . . . . ?
C141 N31 C131 C81 2.5(17) . . . . ?
Co1 N31 C131 C81 -173.7(9) . . . . ?
C111 C121 C131 N31 180.0(11) . . . . ?
C111 C121 C131 C81 0(2) . . . . ?
N21 C81 C131 N31 0(2) . . . . ?
C91 C81 C131 N31 177.7(12) . . . . ?
N21 C81 C131 C121 179.8(13) . . . . ?
C91 C81 C131 C121 -2.5(19) . . . . ?
C131 N31 C141 C71 -2.4(18) . . . . ?
Co1 N31 C141 C71 174.9(9) . . . . ?
C131 N31 C141 C01 -175.9(12) . . . . ?
Co1 N31 C141 C01 1.4(16) . . . . ?
N21 C71 C141 N31 0(2) . . . . ?
C61 C71 C141 N31 -176.9(12) . . . . ?
N21 C71 C141 C01 174.0(12) . . . . ?
C61 C71 C141 C01 -2.5(14) . . . . ?
N11 C01 C141 N31 4(2) . . . . ?
C11 C01 C141 N31 175.8(12) . . . . ?
N11 C01 C141 C71 -169.8(11) . . . . ?
C11 C01 C141 C71 1.6(15) . . . . ?
Co1 O12 N12 C02 158.2(7) . . . . ?
Co2 O12 N12 C02 -86.6(10) . . . . ?
Co1 O12 N12 Co2 -39.9(11) . . . 2_655 ?
Co2 O12 N12 Co2 75.4(10) . . . 2_655 ?
O12 N12 C02 C12 -6(2) . . . . ?
Co2 N12 C02 C12 -171.5(13) 2_655 . . . ?
O12 N12 C02 C142 168.6(9) . . . . ?
Co2 N12 C02 C142 3.5(13) 2_655 . . . ?
N12 C02 C12 C22 -7(3) . . . . ?
C142 C02 C12 C22 177.4(13) . . . . ?
N12 C02 C12 C62 176.7(13) . . . . ?
C142 C02 C12 C62 1.4(14) . . . . ?
C62 C12 C22 C32 -2.4(19) . . . . ?
C02 C12 C22 C32 -178.0(12) . . . . ?
C12 C22 C32 C42 2.8(19) . . . . ?
C22 C32 C42 C52 -3(2) . . . . ?
C32 C42 C52 C62 2(2) . . . . ?
C22 C12 C62 C52 1.9(19) . . . . ?
C02 C12 C62 C52 178.4(11) . . . . ?
C22 C12 C62 C72 -179.3(12) . . . . ?
C02 C12 C62 C72 -2.8(14) . . . . ?
C42 C52 C62 C12 -1.8(19) . . . . ?
C42 C52 C62 C72 179.7(13) . . . . ?
C82 N22 C72 C142 3.6(18) . . . . ?
C82 N22 C72 C62 -178.6(14) . . . . ?
C12 C62 C72 N22 -174.8(13) . . . . ?
C52 C62 C72 N22 4(2) . . . . ?
C12 C62 C72 C142 3.2(15) . . . . ?
C52 C62 C72 C142 -178.1(13) . . . . ?
C72 N22 C82 C92 179.0(12) . . . . ?
C72 N22 C82 C132 -2.9(19) . . . . ?
N22 C82 C92 C102 -177.4(14) . . . . ?
C132 C82 C92 C102 4(2) . . . . ?
C82 C92 C102 C112 -4(3) . . . . ?
C92 C102 C112 C122 0(2) . . . . ?
C102 C112 C122 C132 1(2) . . . . ?
C142 N32 C132 C122 -176.2(13) . . . . ?
Co2 N32 C132 C122 10(2) 2_655 . . . ?
C142 N32 C132 C82 4.8(17) . . . . ?
Co2 N32 C132 C82 -169.5(9) 2_655 . . . ?
C112 C122 C132 N32 -179.4(13) . . . . ?
C112 C122 C132 C82 0(2) . . . . ?
N22 C82 C132 N32 -1(2) . . . . ?
C92 C82 C132 N32 176.8(12) . . . . ?
N22 C82 C132 C122 179.5(13) . . . . ?
C92 C82 C132 C122 -2.3(19) . . . . ?
C132 N32 C142 C72 -4(2) . . . . ?
Co2 N32 C142 C72 171.7(11) 2_655 . . . ?
C132 N32 C142 C02 -179.7(12) . . . . ?
Co2 N32 C142 C02 -3.7(16) 2_655 . . . ?
N22 C72 C142 N32 0(2) . . . . ?
C62 C72 C142 N32 -178.3(13) . . . . ?
N22 C72 C142 C02 176.1(11) . . . . ?
C62 C72 C142 C02 -2.3(14) . . . . ?
N12 C02 C142 N32 0(2) . . . . ?
C12 C02 C142 N32 176.8(12) . . . . ?
N12 C02 C142 C72 -175.9(10) . . . . ?
C12 C02 C142 C72 0.6(14) . . . . ?
Co1 O23 C13 O13 -3(2) . . . . ?
Co1 O23 C13 C23 176.1(8) . . . . ?
Co2 O13 C13 O23 4(2) . . . . ?
Co2 O13 C13 C23 -175.2(8) . . . . ?
O23 C13 C23 C53 -104.2(14) . . . . ?
O13 C13 C23 C53 74.6(16) . . . . ?
O23 C13 C23 C33 15.0(19) . . . . ?
O13 C13 C23 C33 -166.2(12) . . . . ?
O23 C13 C23 C43 138.0(13) . . . . ?
O13 C13 C23 C43 -43.1(16) . . . . ?
Co2 O14 C14 O24 47(2) . . . . ?
Co2 O14 C14 C24 -139.0(13) . . . . ?
O24 C14 C24 C441 -60(3) . . . . ?
O14 C14 C24 C441 126(3) . . . . ?
O24 C14 C24 C542 99.6(19) . . . . ?
O14 C14 C24 C542 -74(2) . . . . ?
O24 C14 C24 C342 -138.1(18) . . . . ?
O14 C14 C24 C342 47.9(19) . . . . ?
O24 C14 C24 C442 -19(2) . . . . ?
O14 C14 C24 C442 166.5(15) . . . . ?
O24 C14 C24 C341 161(3) . . . . ?
O14 C14 C24 C341 -13(3) . . . . ?
O24 C14 C24 C541 56(3) . . . . ?
O14 C14 C24 C541 -118(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C121 H121 O23 0.95 2.31 3.159(15) 148.2 .
C122 H122 O13 0.95 2.44 3.176(16) 134.0 2_655
O1M H1M O24 0.84 1.77 2.604(13) 168.0 2_655
C2M H2M3 O24 0.98 2.16 3.12(3) 165.8 2_655

_refine_diff_density_max         0.582
_refine_diff_density_min         -0.611
_refine_diff_density_rms         0.117

_shelxl_version_number           2013-2


# start Validation Reply Form
_vrf_RINTA01_I                   
;
PROBLEM: The value of Rint is greater than 0.25
RESPONSE: Crystals were very small and gave  very poor diffraction 
;
_vrf_PLAT020_I                   
;
PROBLEM: The value of Rint is greater than 0.12 .........      0.331       
RESPONSE: Crystals were very small and gave  very poor diffraction
;
_vrf_PLAT026_I                   
;
PROBLEM: Ratio Observed / Unique Reflections too Low ....         29 %     
RESPONSE: Crystals were very small and gave  very poor diffraction
;
_vrf_CELLZ01_I                   
;
PROBLEM: H atoms missing from atom site list. Is this intentional?     
RESPONSE: Hydrogen atoms from disordered water molecule were not found.
;
# end Validation Reply Form

_database_code_depnum_ccdc_archive 'CCDC 989905'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_at591a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H24 Co N5 O5,3(H2O)'
_chemical_formula_sum            'C23 H30 Co N5 O8'
_chemical_formula_weight         563.45

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   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   12.450(3)
_cell_length_b                   20.763(5)
_cell_length_c                   10.045(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.37(3)
_cell_angle_gamma                90.00
_cell_volume                     2449.6(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      3
_cell_measurement_theta_max      31

_exptl_crystal_description       block
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_absorpt_coefficient_mu    0.759
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.867
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_process_details   
; 
 CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
;
_exptl_special_details           ?


_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KM4CCD
_diffrn_measurement_method       /w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21768
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.91
_diffrn_reflns_theta_max         31.07
_reflns_number_total             6826
_reflns_number_gt                4882
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,2008'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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)+(0.0420P)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     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6826
_refine_ls_number_parameters     353
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0853
_refine_ls_wR_factor_gt          0.0814
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_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
Co Co 0.672414(19) 0.380230(11) 0.62052(2) 0.01207(7) Uani 1 1 d . . .
O12 O 0.53528(10) 0.42950(5) 0.55705(12) 0.0144(3) Uani 1 1 d . A .
O22 O 0.35557(10) 0.43377(6) 0.55111(14) 0.0204(3) Uani 1 1 d . A .
C12 C 0.44998(15) 0.40726(8) 0.58700(18) 0.0142(3) Uani 1 1 d . . .
C22 C 0.46739(14) 0.34380(8) 0.66876(19) 0.0155(4) Uani 1 1 d . A .
N12 N 0.59189(12) 0.32786(7) 0.71715(15) 0.0134(3) Uani 1 1 d . A .
H1A1 H 0.6009 0.2855 0.7003 0.016 Uiso 1 1 calc R . .
H1A2 H 0.6223 0.3346 0.8118 0.016 Uiso 1 1 calc R . .
C32 C 0.40159(16) 0.29119(9) 0.5686(2) 0.0258(5) Uani 1 1 d . . .
H3A1 H 0.4306 0.2873 0.4894 0.039 Uiso 1 1 calc R A .
H3A2 H 0.3206 0.3024 0.5328 0.039 Uiso 1 1 calc R . .
H3A3 H 0.4114 0.2501 0.6192 0.039 Uiso 1 1 calc R . .
C42 C 0.42696(18) 0.35042(11) 0.7949(2) 0.0285(5) Uani 1 1 d . . .
H4A1 H 0.4386 0.3096 0.8467 0.043 Uiso 1 1 calc R A .
H4A2 H 0.3458 0.3614 0.7624 0.043 Uiso 1 1 calc R . .
H4A3 H 0.4703 0.3845 0.8572 0.043 Uiso 1 1 calc R . .
O13 O 0.61691(10) 0.32809(6) 0.45948(13) 0.0163(3) Uani 1 1 d . A .
O23 O 0.61363(11) 0.31484(6) 0.23885(13) 0.0187(3) Uani 1 1 d . A .
C13 C 0.64638(14) 0.34418(8) 0.35247(19) 0.0146(4) Uani 1 1 d . . .
C23 C 0.72638(14) 0.40226(8) 0.36962(18) 0.0139(3) Uani 1 1 d . A .
N13 N 0.73597(12) 0.43361(7) 0.50790(15) 0.0142(3) Uani 1 1 d . A .
H1B1 H 0.6988 0.4721 0.4912 0.017 Uiso 1 1 calc R . .
H1B2 H 0.8106 0.4414 0.5568 0.017 Uiso 1 1 calc R . .
C33 C 0.84286(15) 0.37761(9) 0.3742(2) 0.0198(4) Uani 1 1 d . . .
H3B1 H 0.8940 0.4142 0.3805 0.030 Uiso 1 1 calc R A .
H3B2 H 0.8351 0.3530 0.2882 0.030 Uiso 1 1 calc R . .
H3B3 H 0.8744 0.3498 0.4568 0.030 Uiso 1 1 calc R . .
C43 C 0.67751(16) 0.44978(9) 0.24819(19) 0.0195(4) Uani 1 1 d . . .
H4B1 H 0.6005 0.4624 0.2437 0.029 Uiso 1 1 calc R A .
H4B2 H 0.6745 0.4293 0.1591 0.029 Uiso 1 1 calc R . .
H4B3 H 0.7262 0.4881 0.2640 0.029 Uiso 1 1 calc R . .
O11 O 0.83224(11) 0.27563(6) 0.63951(15) 0.0198(5) Uani 0.947(4) 1 d P A 1
N11 N 0.80638(14) 0.32498(8) 0.6970(2) 0.0154(4) Uani 0.947(4) 1 d P A 1
O14 O 0.7761(19) 0.3164(10) 0.618(3) 0.007(6) Uiso 0.053(4) 1 d P A 2
N14 N 0.861(2) 0.2907(12) 0.733(3) 0.009(7) Uiso 0.053(4) 1 d P A 2
N31 N 0.89434(12) 0.47324(7) 1.06598(15) 0.0165(3) Uani 1 1 d . . .
N21 N 0.74479(12) 0.43426(7) 0.79170(16) 0.0154(3) Uani 1 1 d . A .
C11 C 0.73039(15) 0.49371(8) 0.84727(18) 0.0145(3) Uani 1 1 d . . .
C21 C 0.64572(15) 0.53691(9) 0.7705(2) 0.0191(4) Uani 1 1 d . A .
H21 H 0.5952 0.5252 0.6800 0.023 Uiso 1 1 calc R . .
C31 C 0.63602(16) 0.59615(9) 0.8263(2) 0.0213(4) Uani 1 1 d . . .
H31 H 0.5794 0.6254 0.7731 0.026 Uiso 1 1 calc R A .
C41 C 0.70846(16) 0.61400(9) 0.9607(2) 0.0211(4) Uani 1 1 d . A .
H41 H 0.7000 0.6550 0.9981 0.025 Uiso 1 1 calc R . .
C51 C 0.79124(16) 0.57270(9) 1.0381(2) 0.0193(4) Uani 1 1 d . . .
H51 H 0.8395 0.5852 1.1293 0.023 Uiso 1 1 calc R A .
C61 C 0.80577(14) 0.51179(8) 0.98427(18) 0.0157(4) Uani 1 1 d . A .
C71 C 0.90597(14) 0.41876(8) 1.00766(19) 0.0151(4) Uani 1 1 d . . .
C81 C 0.98725(15) 0.36513(8) 1.0562(2) 0.0175(4) Uani 1 1 d . . .
C91 C 1.07339(15) 0.35482(10) 1.1836(2) 0.0211(4) Uani 1 1 d . . .
H91 H 1.0901 0.3859 1.2572 0.025 Uiso 1 1 calc R . .
C101 C 1.13470(16) 0.29750(10) 1.2004(2) 0.0268(5) Uani 1 1 d . . .
H101 H 1.1943 0.2894 1.2866 0.032 Uiso 1 1 calc R . .
C111 C 1.11018(16) 0.25187(10) 1.0930(2) 0.0260(4) Uani 1 1 d . . .
H111 H 1.1519 0.2127 1.1086 0.031 Uiso 1 1 calc R . .
C121 C 1.02643(16) 0.26225(9) 0.9639(2) 0.0220(4) Uani 1 1 d . . .
H121 H 1.0120 0.2315 0.8901 0.026 Uiso 1 1 calc R . .
C131 C 0.96423(15) 0.31887(8) 0.9457(2) 0.0177(4) Uani 1 1 d . A .
C141 C 0.86704(15) 0.34204(8) 0.82839(19) 0.0173(4) Uani 1 1 d . . .
C151 C 0.83237(15) 0.40097(8) 0.87057(18) 0.0150(3) Uani 1 1 d . A .
O1W O 0.69719(11) 0.32712(6) 1.01509(14) 0.0228(3) Uani 1 1 d . . .
H1W1 H 0.6651 0.3302 1.0786 0.043(8) Uiso 1 1 d R . .
H2W1 H 0.7333 0.2911 1.0307 0.044(7) Uiso 1 1 d R . .
O2W O 0.87188(12) 0.57659(7) 0.45900(15) 0.0279(3) Uani 1 1 d . . .
H1W2 H 0.8015 0.5825 0.4505 0.056(9) Uiso 1 1 d R . .
H2W2 H 0.8997 0.5496 0.5267 0.071(10) Uiso 1 1 d R . .
O3W O 1.02653(11) 0.52129(7) 0.33748(14) 0.0246(3) Uani 1 1 d . . .
H1W3 H 0.9778 0.5408 0.3672 0.048(8) Uiso 1 1 d R . .
H2W3 H 0.9894 0.5071 0.2545 0.049(8) Uiso 1 1 d 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
Co O14 1.86(2) . ?
Co O13 1.8774(13) . ?
Co O12 1.9093(12) . ?
Co N13 1.9308(15) . ?
Co N12 1.9429(15) . ?
Co N11 1.9591(17) . ?
Co N21 1.9998(16) . ?
O12 C12 1.282(2) . ?
O22 C12 1.238(2) . ?
C12 C22 1.530(2) . ?
C22 N12 1.500(2) . ?
C22 C42 1.517(3) . ?
C22 C32 1.527(3) . ?
N12 H1A1 0.9100 . ?
N12 H1A2 0.9100 . ?
C32 H3A1 0.9800 . ?
C32 H3A2 0.9800 . ?
C32 H3A3 0.9800 . ?
C42 H4A1 0.9800 . ?
C42 H4A2 0.9800 . ?
C42 H4A3 0.9800 . ?
O13 C13 1.290(2) . ?
O23 C13 1.237(2) . ?
C13 C23 1.537(2) . ?
C23 N13 1.502(2) . ?
C23 C33 1.524(2) . ?
C23 C43 1.529(2) . ?
N13 H1B1 0.9100 . ?
N13 H1B2 0.9100 . ?
C33 H3B1 0.9800 . ?
C33 H3B2 0.9800 . ?
C33 H3B3 0.9800 . ?
C43 H4B1 0.9800 . ?
C43 H4B2 0.9800 . ?
C43 H4B3 0.9800 . ?
O11 N11 1.269(2) . ?
N11 C141 1.333(3) . ?
O14 N14 1.39(4) . ?
N14 C141 1.42(3) . ?
N31 C71 1.304(2) . ?
N31 C61 1.389(2) . ?
N21 C151 1.312(2) . ?
N21 C11 1.391(2) . ?
C11 C21 1.404(2) . ?
C11 C61 1.435(2) . ?
C21 C31 1.374(3) . ?
C21 H21 0.9500 . ?
C31 C41 1.402(3) . ?
C31 H31 0.9500 . ?
C41 C51 1.368(3) . ?
C41 H41 0.9500 . ?
C51 C61 1.410(2) . ?
C51 H51 0.9500 . ?
C71 C151 1.427(2) . ?
C71 C81 1.474(2) . ?
C81 C91 1.387(3) . ?
C81 C131 1.423(3) . ?
C91 C101 1.394(3) . ?
C91 H91 0.9500 . ?
C101 C111 1.392(3) . ?
C101 H101 0.9500 . ?
C111 C121 1.385(3) . ?
C111 H111 0.9500 . ?
C121 C131 1.386(3) . ?
C121 H121 0.9500 . ?
C131 C141 1.462(3) . ?
C141 C151 1.409(3) . ?
O1W H1W1 0.8607 . ?
O1W H2W1 0.8595 . ?
O2W H1W2 0.8603 . ?
O2W H2W2 0.8611 . ?
O3W H1W3 0.8607 . ?
O3W H2W3 0.8601 . ?

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
O14 Co O13 68.7(8) . . ?
O14 Co O12 158.0(8) . . ?
O13 Co O12 89.33(6) . . ?
O14 Co N13 89.0(7) . . ?
O13 Co N13 86.07(6) . . ?
O12 Co N13 89.52(6) . . ?
O14 Co N12 94.7(7) . . ?
O13 Co N12 90.24(6) . . ?
O12 Co N12 85.08(6) . . ?
N13 Co N12 173.50(6) . . ?
O14 Co N11 23.2(8) . . ?
O13 Co N11 91.28(7) . . ?
O12 Co N11 174.46(6) . . ?
N13 Co N11 96.01(7) . . ?
N12 Co N11 89.41(6) . . ?
O14 Co N21 107.1(8) . . ?
O13 Co N21 175.15(6) . . ?
O12 Co N21 94.85(6) . . ?
N13 Co N21 91.52(6) . . ?
N12 Co N21 92.54(6) . . ?
N11 Co N21 84.79(8) . . ?
C12 O12 Co 116.57(11) . . ?
O22 C12 O12 123.49(16) . . ?
O22 C12 C22 119.41(15) . . ?
O12 C12 C22 117.09(15) . . ?
N12 C22 C42 110.06(15) . . ?
N12 C22 C32 109.07(14) . . ?
C42 C22 C32 111.19(17) . . ?
N12 C22 C12 108.14(14) . . ?
C42 C22 C12 110.08(15) . . ?
C32 C22 C12 108.23(15) . . ?
C22 N12 Co 111.33(10) . . ?
C22 N12 H1A1 109.4 . . ?
Co N12 H1A1 109.4 . . ?
C22 N12 H1A2 109.4 . . ?
Co N12 H1A2 109.4 . . ?
H1A1 N12 H1A2 108.0 . . ?
C22 C32 H3A1 109.5 . . ?
C22 C32 H3A2 109.5 . . ?
H3A1 C32 H3A2 109.5 . . ?
C22 C32 H3A3 109.5 . . ?
H3A1 C32 H3A3 109.5 . . ?
H3A2 C32 H3A3 109.5 . . ?
C22 C42 H4A1 109.5 . . ?
C22 C42 H4A2 109.5 . . ?
H4A1 C42 H4A2 109.5 . . ?
C22 C42 H4A3 109.5 . . ?
H4A1 C42 H4A3 109.5 . . ?
H4A2 C42 H4A3 109.5 . . ?
C13 O13 Co 116.33(11) . . ?
O23 C13 O13 122.92(16) . . ?
O23 C13 C23 119.52(16) . . ?
O13 C13 C23 117.56(15) . . ?
N13 C23 C33 109.55(14) . . ?
N13 C23 C43 110.27(14) . . ?
C33 C23 C43 111.31(15) . . ?
N13 C23 C13 107.06(14) . . ?
C33 C23 C13 108.34(14) . . ?
C43 C23 C13 110.19(14) . . ?
C23 N13 Co 111.76(10) . . ?
C23 N13 H1B1 109.3 . . ?
Co N13 H1B1 109.3 . . ?
C23 N13 H1B2 109.3 . . ?
Co N13 H1B2 109.3 . . ?
H1B1 N13 H1B2 107.9 . . ?
C23 C33 H3B1 109.5 . . ?
C23 C33 H3B2 109.5 . . ?
H3B1 C33 H3B2 109.5 . . ?
C23 C33 H3B3 109.5 . . ?
H3B1 C33 H3B3 109.5 . . ?
H3B2 C33 H3B3 109.5 . . ?
C23 C43 H4B1 109.5 . . ?
C23 C43 H4B2 109.5 . . ?
H4B1 C43 H4B2 109.5 . . ?
C23 C43 H4B3 109.5 . . ?
H4B1 C43 H4B3 109.5 . . ?
H4B2 C43 H4B3 109.5 . . ?
O11 N11 C141 121.27(16) . . ?
O11 N11 Co 127.31(15) . . ?
C141 N11 Co 111.20(13) . . ?
N14 O14 Co 127(2) . . ?
O14 N14 C141 97.3(19) . . ?
C71 N31 C61 114.78(15) . . ?
C151 N21 C11 114.66(15) . . ?
C151 N21 Co 105.72(12) . . ?
C11 N21 Co 139.62(12) . . ?
N21 C11 C21 121.32(16) . . ?
N21 C11 C61 119.13(15) . . ?
C21 C11 C61 119.53(16) . . ?
C31 C21 C11 119.96(17) . . ?
C31 C21 H21 120.0 . . ?
C11 C21 H21 120.0 . . ?
C21 C31 C41 120.94(17) . . ?
C21 C31 H31 119.5 . . ?
C41 C31 H31 119.5 . . ?
C51 C41 C31 120.31(18) . . ?
C51 C41 H41 119.8 . . ?
C31 C41 H41 119.8 . . ?
C41 C51 C61 120.83(17) . . ?
C41 C51 H51 119.6 . . ?
C61 C51 H51 119.6 . . ?
N31 C61 C51 117.89(16) . . ?
N31 C61 C11 123.67(16) . . ?
C51 C61 C11 118.42(16) . . ?
N31 C71 C151 121.78(16) . . ?
N31 C71 C81 132.30(17) . . ?
C151 C71 C81 105.91(15) . . ?
C91 C81 C131 120.65(17) . . ?
C91 C81 C71 131.08(17) . . ?
C131 C81 C71 108.26(15) . . ?
C81 C91 C101 117.91(18) . . ?
C81 C91 H91 121.0 . . ?
C101 C91 H91 121.0 . . ?
C111 C101 C91 121.15(18) . . ?
C111 C101 H101 119.4 . . ?
C91 C101 H101 119.4 . . ?
C121 C111 C101 121.55(18) . . ?
C121 C111 H111 119.2 . . ?
C101 C111 H111 119.2 . . ?
C111 C121 C131 118.04(18) . . ?
C111 C121 H121 121.0 . . ?
C131 C121 H121 121.0 . . ?
C121 C131 C81 120.67(17) . . ?
C121 C131 C141 131.48(17) . . ?
C81 C131 C141 107.77(15) . . ?
N11 C141 C151 113.53(16) . . ?
N14 C141 C151 154.6(11) . . ?
N11 C141 C131 139.12(17) . . ?
N14 C141 C131 98.0(11) . . ?
C151 C141 C131 107.32(15) . . ?
N21 C151 C141 123.52(16) . . ?
N21 C151 C71 125.85(17) . . ?
C141 C151 C71 110.63(15) . . ?
H1W1 O1W H2W1 105.9 . . ?
H1W2 O2W H2W2 107.5 . . ?
H1W3 O3W H2W3 106.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N12 H1A1 O23 0.91 2.12 2.9766(19) 157.6 4_566
N12 H1A2 O1W 0.91 1.95 2.841(2) 166.2 .
N13 H1B1 O22 0.91 2.07 2.964(2) 168.5 3_666
N13 H1B2 O3W 0.91 2.10 2.998(2) 168.7 3_766
O1W H1W1 O23 0.86 1.95 2.784(2) 164.2 1_556
O1W H2W1 O11 0.86 1.93 2.747(2) 157.3 4_566
O1W H2W1 O14 0.86 2.39 3.20(2) 156.5 4_566
O2W H1W2 O22 0.86 1.98 2.8080(19) 161.3 3_666
O2W H2W2 O3W 0.86 2.01 2.863(2) 170.7 3_766
O3W H1W3 O2W 0.86 1.99 2.842(2) 171.5 .
O3W H2W3 N31 0.86 2.00 2.857(2) 176.3 1_554

_diffrn_measured_fraction_theta_max 0.869
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.512
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.078
_database_code_depnum_ccdc_archive 'CCDC 989906'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ln194ab

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C68 H50 Co3 N14 O10, 7.9(C H4 O)'
_chemical_formula_sum            'C75.90 H81.60 Co3 N14 O17.90'
_chemical_formula_weight         1653.14

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   18.248(6)
_cell_length_b                   21.492(8)
_cell_length_c                   19.745(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.82(3)
_cell_angle_gamma                90.00
_cell_volume                     7734(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6941
_cell_measurement_theta_min      2.80
_cell_measurement_theta_max      28.00

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3437
_exptl_absorpt_coefficient_mu    0.714
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
;
Xcalibur R kappa-geometry diffractometer with a Ruby 
CCD camera 
;
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            45060
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_sigmaI/netI    0.0953
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.80
_diffrn_reflns_theta_max         28.07
_reflns_number_total             18761
_reflns_number_gt                10712
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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)+(0.0776P)²+15.7001P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         18761
_refine_ls_number_parameters     973
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.1461
_refine_ls_R_factor_gt           0.0775
_refine_ls_wR_factor_ref         0.2080
_refine_ls_wR_factor_gt          0.1706
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.015
_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 0.09105(3) 0.29301(3) 0.52142(3) 0.03052(16) Uani 1 1 d . . .
Co2 Co 0.23735(3) 0.26819(3) 0.42536(3) 0.03087(16) Uani 1 1 d . . .
Co3 Co 0.24797(3) 0.11343(3) 0.45766(3) 0.03444(17) Uani 1 1 d . . .
O1 O 0.19471(17) 0.27939(15) 0.51733(16) 0.0345(7) Uani 1 1 d D A .
H1 H 0.2222 0.3003 0.5441 0.07(2) Uiso 1 1 d RD . .
O2 O 0.19860(17) 0.18067(14) 0.41163(16) 0.0324(7) Uani 1 1 d D A .
H2 H 0.1732 0.1734 0.3759 0.038(15) Uiso 1 1 d RD . .
O11 O 0.09304(18) 0.20408(15) 0.63057(16) 0.0379(8) Uani 1 1 d . . .
N11 N 0.0974(2) 0.26144(18) 0.61380(18) 0.0310(8) Uani 1 1 d . A .
N21 N 0.1038(2) 0.37737(18) 0.56383(19) 0.0347(9) Uani 1 1 d . A .
N31 N 0.1335(2) 0.4718(2) 0.6655(2) 0.0437(10) Uani 1 1 d . . .
C11 C 0.1042(3) 0.4402(2) 0.5469(2) 0.0368(11) Uani 1 1 d . . .
C21 C 0.0860(3) 0.4587(3) 0.4798(3) 0.0481(14) Uani 1 1 d . A .
H21 H 0.0745 0.4286 0.4458 0.058 Uiso 1 1 calc R . .
C31 C 0.0850(4) 0.5217(3) 0.4642(3) 0.0649(18) Uani 1 1 d . . .
H31 H 0.0717 0.5345 0.4192 0.078 Uiso 1 1 calc R A .
C41 C 0.1031(4) 0.5665(3) 0.5134(4) 0.0680(19) Uani 1 1 d . A .
H41 H 0.1032 0.6093 0.5015 0.082 Uiso 1 1 calc R . .
C51 C 0.1207(3) 0.5490(2) 0.5785(3) 0.0551(15) Uani 1 1 d . . .
H51 H 0.1334 0.5799 0.6114 0.066 Uiso 1 1 calc R A .
C61 C 0.1205(3) 0.4860(2) 0.5981(3) 0.0437(12) Uani 1 1 d . A .
C71 C 0.1292(2) 0.4126(2) 0.6798(2) 0.0379(11) Uani 1 1 d . . .
C81 C 0.1346(2) 0.3783(2) 0.7445(3) 0.0389(11) Uani 1 1 d . . .
C91 C 0.1450(3) 0.3998(3) 0.8108(3) 0.0456(13) Uani 1 1 d . . .
H91 H 0.1527 0.4428 0.8199 0.055 Uiso 1 1 calc R . .
C101 C 0.1437(3) 0.3571(3) 0.8632(3) 0.0583(16) Uani 1 1 d . . .
H101 H 0.1505 0.3710 0.9088 0.070 Uiso 1 1 calc R . .
C111 C 0.1326(3) 0.2944(3) 0.8503(3) 0.0560(15) Uani 1 1 d . . .
H111 H 0.1316 0.2663 0.8873 0.067 Uiso 1 1 calc R . .
C121 C 0.1229(3) 0.2713(3) 0.7843(2) 0.0438(12) Uani 1 1 d . . .
H121 H 0.1162 0.2281 0.7759 0.053 Uiso 1 1 calc R . .
C131 C 0.1234(2) 0.3140(2) 0.7312(2) 0.0360(11) Uani 1 1 d . A .
C141 C 0.1117(2) 0.3062(2) 0.6579(2) 0.0332(10) Uani 1 1 d . . .
C151 C 0.1140(2) 0.3672(2) 0.6290(2) 0.0330(10) Uani 1 1 d . A .
O12 O 0.0797(3) 0.3193(3) 0.4291(3) 0.0226(19) Uiso 0.610(10) 1 d PD A 1
N12 N 0.1421(3) 0.3151(4) 0.3945(3) 0.025(3) Uiso 0.610(10) 1 d PD A 1
N22 N 0.2566(3) 0.2848(5) 0.3126(3) 0.025(3) Uiso 0.610(10) 1 d PD A 1
N32 N 0.2280(3) 0.3235(4) 0.1736(2) 0.0332(18) Uiso 0.610(10) 1 d PD A 1
C12 C 0.3072(3) 0.2740(5) 0.2638(3) 0.032(3) Uiso 0.610(10) 1 d PD A 1
C22 C 0.3730(3) 0.2430(5) 0.2810(3) 0.035(2) Uiso 0.610(10) 1 d PD A 1
H22 H 0.3842 0.2312 0.3267 0.042 Uiso 0.610(10) 1 calc PR A 1
C32 C 0.4214(4) 0.2296(5) 0.2318(3) 0.042(2) Uiso 0.610(10) 1 d PD A 1
H32 H 0.4663 0.2092 0.2438 0.050 Uiso 0.610(10) 1 calc PR A 1
C42 C 0.4050(4) 0.2459(4) 0.1644(4) 0.045(2) Uiso 0.610(10) 1 d PD A 1
H42 H 0.4386 0.2357 0.1309 0.055 Uiso 0.610(10) 1 calc PR A 1
C52 C 0.3416(4) 0.2762(4) 0.1457(3) 0.042(2) Uiso 0.610(10) 1 d PD A 1
H52 H 0.3316 0.2867 0.0994 0.050 Uiso 0.610(10) 1 calc PR A 1
C62 C 0.2906(3) 0.2920(4) 0.1947(3) 0.035(2) Uiso 0.610(10) 1 d PD A 1
C72 C 0.1828(3) 0.3346(5) 0.2220(3) 0.028(3) Uiso 0.610(10) 1 d PD A 1
C82 C 0.1109(4) 0.3653(6) 0.2200(3) 0.028(4) Uiso 0.610(10) 1 d PD A 1
C92 C 0.0723(4) 0.3969(5) 0.1683(4) 0.031(3) Uiso 0.610(10) 1 d PD A 1
H92 H 0.0927 0.4022 0.1253 0.037 Uiso 0.610(10) 1 calc PR A 1
C102 C 0.0041(5) 0.4204(7) 0.1803(5) 0.039(5) Uiso 0.610(10) 1 d PD A 1
H102 H -0.0242 0.4391 0.1441 0.047 Uiso 0.610(10) 1 calc PR A 1
C112 C -0.0246(5) 0.4174(6) 0.2445(4) 0.036(5) Uiso 0.610(10) 1 d PD A 1
H112 H -0.0705 0.4364 0.2520 0.043 Uiso 0.610(10) 1 calc PR A 1
C122 C 0.0140(5) 0.3865(6) 0.2982(4) 0.038(5) Uiso 0.610(10) 1 d PD A 1
H122 H -0.0064 0.3822 0.3413 0.045 Uiso 0.610(10) 1 calc PR A 1
C132 C 0.0822(5) 0.3628(7) 0.2859(4) 0.032(6) Uiso 0.610(10) 1 d PD A 1
C142 C 0.1374(4) 0.3326(5) 0.3314(3) 0.031(4) Uiso 0.610(10) 1 d PD A 1
C152 C 0.1984(5) 0.3147(9) 0.2905(4) 0.030(7) Uiso 0.610(10) 1 d PD A 1
O1D O 0.0852(5) 0.3318(5) 0.4334(4) 0.036(4) Uiso 0.390(10) 1 d PD A 2
N1D N 0.1323(5) 0.3070(5) 0.3898(4) 0.022(4) Uiso 0.390(10) 1 d PD A 2
N2D N 0.2554(5) 0.2945(8) 0.3139(4) 0.038(7) Uiso 0.390(10) 1 d PD A 2
N3D N 0.2339(4) 0.3472(6) 0.1798(4) 0.034(3) Uiso 0.390(10) 1 d PD A 2
C1D C 0.3095(4) 0.2904(7) 0.2673(4) 0.034(4) Uiso 0.390(10) 1 d PD A 2
C2D C 0.3768(4) 0.2622(8) 0.2854(5) 0.042(4) Uiso 0.390(10) 1 d PD A 2
H2D H 0.3852 0.2454 0.3296 0.051 Uiso 0.390(10) 1 calc PR A 2
C3D C 0.4306(4) 0.2586(7) 0.2392(5) 0.039(3) Uiso 0.390(10) 1 d PD A 2
H3D H 0.4757 0.2382 0.2511 0.047 Uiso 0.390(10) 1 calc PR A 2
C4D C 0.4195(5) 0.2847(7) 0.1749(5) 0.051(4) Uiso 0.390(10) 1 d PD A 2
H4D H 0.4575 0.2826 0.1439 0.062 Uiso 0.390(10) 1 calc PR A 2
C5D C 0.3551(5) 0.3131(7) 0.1556(5) 0.048(4) Uiso 0.390(10) 1 d PD A 2
H5D H 0.3487 0.3302 0.1114 0.058 Uiso 0.390(10) 1 calc PR A 2
C6D C 0.2976(4) 0.3175(7) 0.2011(4) 0.036(3) Uiso 0.390(10) 1 d PD A 2
C7D C 0.1832(4) 0.3479(8) 0.2248(4) 0.034(5) Uiso 0.390(10) 1 d PD A 2
C8D C 0.1093(5) 0.3751(9) 0.2221(5) 0.028(6) Uiso 0.390(10) 1 d PD A 2
C9D C 0.0710(5) 0.4083(9) 0.1715(5) 0.041(7) Uiso 0.390(10) 1 d PD A 2
H9D H 0.0929 0.4172 0.1299 0.049 Uiso 0.390(10) 1 calc PR A 2
C10D C 0.0010(6) 0.4281(11) 0.1825(6) 0.033(7) Uiso 0.390(10) 1 d PD A 2
H10D H -0.0246 0.4524 0.1487 0.040 Uiso 0.390(10) 1 calc PR A 2
C11D C -0.0333(7) 0.4135(9) 0.2420(6) 0.030(7) Uiso 0.390(10) 1 d PD A 2
H11D H -0.0833 0.4245 0.2466 0.035 Uiso 0.390(10) 1 calc PR A 2
C12D C 0.0055(6) 0.3825(8) 0.2955(5) 0.018(5) Uiso 0.390(10) 1 d PD A 2
H12D H -0.0152 0.3768 0.3382 0.022 Uiso 0.390(10) 1 calc PR A 2
C13D C 0.0748(7) 0.3607(10) 0.2835(5) 0.028(8) Uiso 0.390(10) 1 d PD A 2
C14D C 0.1281(5) 0.3267(6) 0.3276(4) 0.016(4) Uiso 0.390(10) 1 d PD A 2
C15D C 0.1945(7) 0.3194(12) 0.2901(5) 0.029(10) Uiso 0.390(10) 1 d PD A 2
O13 O 0.3343(5) 0.1568(3) 0.4628(4) 0.024(2) Uiso 0.545(15) 1 d P A 1
N13 N 0.3278(6) 0.2176(4) 0.4565(6) 0.029(3) Uiso 0.545(15) 1 d P A 1
N23 N 0.3145(6) 0.3450(4) 0.4424(6) 0.032(3) Uiso 0.545(15) 1 d P A 1
N33 N 0.4494(5) 0.4092(4) 0.4812(5) 0.035(2) Uiso 0.545(15) 1 d P A 1
C13 C 0.3186(6) 0.4097(4) 0.4432(6) 0.032(3) Uiso 0.545(15) 1 d P A 1
C23 C 0.2553(6) 0.4449(5) 0.4275(6) 0.037(3) Uiso 0.545(15) 1 d P A 1
H23 H 0.2104 0.4243 0.4157 0.044 Uiso 0.545(15) 1 calc PR A 1
C33 C 0.2575(6) 0.5077(5) 0.4289(6) 0.048(3) Uiso 0.545(15) 1 d P A 1
H33 H 0.2138 0.5308 0.4194 0.057 Uiso 0.545(15) 1 calc PR A 1
C43 C 0.3238(6) 0.5390(5) 0.4443(6) 0.045(3) Uiso 0.545(15) 1 d P A 1
H43 H 0.3255 0.5831 0.4422 0.054 Uiso 0.545(15) 1 calc PR A 1
C53 C 0.3860(6) 0.5064(5) 0.4624(6) 0.046(3) Uiso 0.545(15) 1 d P A 1
H53 H 0.4296 0.5282 0.4759 0.055 Uiso 0.545(15) 1 calc PR A 1
C63 C 0.3862(5) 0.4405(4) 0.4614(5) 0.032(2) Uiso 0.545(15) 1 d P A 1
C73 C 0.4431(5) 0.3487(4) 0.4817(5) 0.028(2) Uiso 0.545(15) 1 d P A 1
C83 C 0.4975(6) 0.3004(4) 0.4997(6) 0.034(3) Uiso 0.545(15) 1 d P A 1
C93 C 0.5720(6) 0.3048(5) 0.5193(6) 0.040(3) Uiso 0.545(15) 1 d P A 1
H93 H 0.5957 0.3441 0.5225 0.048 Uiso 0.545(15) 1 calc PR A 1
C103 C 0.6107(7) 0.2502(5) 0.5342(6) 0.043(3) Uiso 0.545(15) 1 d P A 1
H103 H 0.6606 0.2525 0.5500 0.052 Uiso 0.545(15) 1 calc PR A 1
C113 C 0.5773(8) 0.1932(5) 0.5261(8) 0.039(4) Uiso 0.545(15) 1 d P A 1
H113 H 0.6054 0.1566 0.5348 0.047 Uiso 0.545(15) 1 calc PR A 1
C123 C 0.5037(8) 0.1874(5) 0.5056(8) 0.032(4) Uiso 0.545(15) 1 d P A 1
H123 H 0.4816 0.1476 0.5004 0.038 Uiso 0.545(15) 1 calc PR A 1
C133 C 0.4634(6) 0.2408(4) 0.4931(6) 0.027(3) Uiso 0.545(15) 1 d P A 1
C143 C 0.3861(7) 0.2511(5) 0.4705(7) 0.029(3) Uiso 0.545(15) 1 d P A 1
C153 C 0.3760(7) 0.3177(5) 0.4624(7) 0.030(3) Uiso 0.545(15) 1 d P A 1
O1T O 0.3462(5) 0.1593(3) 0.4716(6) 0.032(3) Uiso 0.455(15) 1 d PD A 2
N1T N 0.3399(4) 0.2214(3) 0.4612(7) 0.024(4) Uiso 0.455(15) 1 d PD A 2
N2T N 0.3272(4) 0.3487(3) 0.4403(7) 0.031(4) Uiso 0.455(15) 1 d PD A 2
N3T N 0.4665(4) 0.4120(3) 0.4578(6) 0.039(3) Uiso 0.455(15) 1 d PD A 2
C1T C 0.3326(4) 0.4123(3) 0.4301(8) 0.038(4) Uiso 0.455(15) 1 d PD A 2
C2T C 0.2699(4) 0.4473(3) 0.4123(7) 0.038(4) Uiso 0.455(15) 1 d PD A 2
H2T H 0.2240 0.4270 0.4039 0.045 Uiso 0.455(15) 1 calc PR A 2
C3T C 0.2745(5) 0.5109(3) 0.4068(7) 0.043(3) Uiso 0.455(15) 1 d PD A 2
H3T H 0.2313 0.5348 0.3974 0.051 Uiso 0.455(15) 1 calc PR A 2
C4T C 0.3422(5) 0.5406(4) 0.4149(8) 0.054(4) Uiso 0.455(15) 1 d PD A 2
H4T H 0.3451 0.5842 0.4079 0.065 Uiso 0.455(15) 1 calc PR A 2
C5T C 0.4044(5) 0.5083(3) 0.4327(8) 0.050(4) Uiso 0.455(15) 1 d PD A 2
H5T H 0.4494 0.5299 0.4408 0.060 Uiso 0.455(15) 1 calc PR A 2
C6T C 0.4025(4) 0.4427(3) 0.4394(8) 0.043(3) Uiso 0.455(15) 1 d PD A 2
C7T C 0.4589(4) 0.3517(3) 0.4654(7) 0.033(3) Uiso 0.455(15) 1 d PD A 2
C8T C 0.5129(4) 0.3036(3) 0.4854(7) 0.028(3) Uiso 0.455(15) 1 d PD A 2
C9T C 0.5877(4) 0.3076(3) 0.5013(7) 0.037(3) Uiso 0.455(15) 1 d PD A 2
H9T H 0.6125 0.3463 0.4991 0.044 Uiso 0.455(15) 1 calc PR A 2
C10T C 0.6253(5) 0.2545(4) 0.5204(7) 0.033(3) Uiso 0.455(15) 1 d PD A 2
H10T H 0.6763 0.2572 0.5326 0.040 Uiso 0.455(15) 1 calc PR A 2
C11T C 0.5904(5) 0.1968(4) 0.5225(8) 0.030(4) Uiso 0.455(15) 1 d PD A 2
H11T H 0.6180 0.1608 0.5351 0.036 Uiso 0.455(15) 1 calc PR A 2
C12T C 0.5147(5) 0.1914(4) 0.5059(9) 0.030(5) Uiso 0.455(15) 1 d PD A 2
H12T H 0.4905 0.1524 0.5076 0.035 Uiso 0.455(15) 1 calc PR A 2
C13T C 0.4769(4) 0.2447(3) 0.4871(7) 0.029(4) Uiso 0.455(15) 1 d PD A 2
C14T C 0.3988(4) 0.2550(3) 0.4691(9) 0.031(5) Uiso 0.455(15) 1 d PD A 2
C15T C 0.3890(5) 0.3216(3) 0.4576(8) 0.031(5) Uiso 0.455(15) 1 d PD A 2
O14 O 0.10806(18) 0.06612(17) 0.4971(2) 0.0482(9) Uani 1 1 d . . .
N14 N 0.1568(2) 0.06555(18) 0.4524(2) 0.0387(10) Uani 1 1 d . A .
N24 N 0.2703(2) 0.06984(17) 0.3718(2) 0.0356(9) Uani 1 1 d . A .
N34 N 0.2542(2) -0.0086(2) 0.2536(2) 0.0488(11) Uani 1 1 d . . .
C14 C 0.3265(3) 0.0641(2) 0.3275(3) 0.0384(11) Uani 1 1 d . . .
C24 C 0.3944(3) 0.0942(2) 0.3412(3) 0.0452(13) Uani 1 1 d . A .
H24 H 0.4022 0.1181 0.3813 0.054 Uiso 1 1 calc R . .
C34 C 0.4493(3) 0.0886(3) 0.2960(3) 0.0522(14) Uani 1 1 d . . .
H34 H 0.4949 0.1090 0.3050 0.063 Uiso 1 1 calc R A .
C44 C 0.4385(3) 0.0530(3) 0.2369(3) 0.0501(14) Uani 1 1 d . A .
H44 H 0.4764 0.0505 0.2056 0.060 Uiso 1 1 calc R . .
C54 C 0.3741(3) 0.0219(3) 0.2236(3) 0.0456(13) Uani 1 1 d . . .
H54 H 0.3680 -0.0027 0.1837 0.055 Uiso 1 1 calc R A .
C64 C 0.3165(3) 0.0258(2) 0.2686(3) 0.0416(12) Uani 1 1 d . A .
C74 C 0.2033(3) -0.0023(2) 0.2981(3) 0.0447(13) Uani 1 1 d . . .
C84 C 0.1300(3) -0.0309(3) 0.3028(3) 0.0542(15) Uani 1 1 d . . .
C94 C 0.0932(4) -0.0727(4) 0.2605(4) 0.090(3) Uani 1 1 d . . .
H94 H 0.1144 -0.0872 0.2204 0.108 Uiso 1 1 calc R . .
C104 C 0.0240(4) -0.0930(4) 0.2782(5) 0.106(3) Uani 1 1 d . . .
H104 H -0.0023 -0.1220 0.2499 0.127 Uiso 1 1 calc R . .
C114 C -0.0061(4) -0.0720(4) 0.3354(5) 0.088(2) Uani 1 1 d . . .
H114 H -0.0533 -0.0867 0.3461 0.106 Uiso 1 1 calc R . .
C124 C 0.0290(3) -0.0303(3) 0.3784(4) 0.0593(16) Uani 1 1 d . . .
H124 H 0.0071 -0.0159 0.4182 0.071 Uiso 1 1 calc R . .
C134 C 0.0979(3) -0.0100(2) 0.3615(3) 0.0509(14) Uani 1 1 d . A .
C144 C 0.1500(3) 0.0331(2) 0.3961(3) 0.0390(12) Uani 1 1 d . . .
C154 C 0.2122(2) 0.0363(2) 0.3555(3) 0.0361(11) Uani 1 1 d . A .
O1A O -0.01219(17) 0.30217(15) 0.52177(15) 0.0336(7) Uani 1 1 d . A .
O2A O -0.1142(2) 0.2702(2) 0.4678(2) 0.0666(12) Uani 1 1 d . A .
C1A C -0.0485(3) 0.2633(3) 0.4843(2) 0.0410(12) Uani 1 1 d . . .
C2A C -0.0077(3) 0.2047(2) 0.4615(2) 0.0384(11) Uani 1 1 d . A .
N1A N 0.0693(2) 0.21037(17) 0.49060(18) 0.0316(8) Uani 1 1 d . A .
H1A1 H 0.1014 0.1995 0.4581 0.038 Uiso 1 1 calc R . .
H1A2 H 0.0760 0.1831 0.5263 0.038 Uiso 1 1 calc R . .
C3A C -0.0449(3) 0.1477(3) 0.4906(3) 0.0477(13) Uani 1 1 d . . .
H3A1 H -0.0958 0.1455 0.4726 0.072 Uiso 1 1 calc R A .
H3A2 H -0.0441 0.1509 0.5401 0.072 Uiso 1 1 calc R . .
H3A3 H -0.0187 0.1100 0.4777 0.072 Uiso 1 1 calc R . .
C4A C -0.0075(3) 0.2011(3) 0.3839(3) 0.0478(13) Uani 1 1 d . . .
H4A1 H 0.0178 0.2376 0.3665 0.072 Uiso 1 1 calc R A .
H4A2 H -0.0582 0.2002 0.3649 0.072 Uiso 1 1 calc R . .
H4A3 H 0.0180 0.1632 0.3705 0.072 Uiso 1 1 calc R . .
O1B O 0.29746(18) 0.05013(16) 0.5074(2) 0.0430(8) Uani 1 1 d . A .
O2B O 0.3495(2) 0.02880(17) 0.6086(2) 0.0599(11) Uani 1 1 d . A .
C1B C 0.3097(3) 0.0610(2) 0.5714(3) 0.0456(13) Uani 1 1 d . . .
C2B C 0.2701(3) 0.1177(3) 0.6010(3) 0.0440(13) Uani 1 1 d . A .
N1B N 0.2203(2) 0.1431(2) 0.5450(2) 0.0393(10) Uani 1 1 d . A .
H1B1 H 0.2223 0.1859 0.5456 0.047 Uiso 1 1 calc R . .
H1B2 H 0.1728 0.1314 0.5519 0.047 Uiso 1 1 calc R . .
C3B C 0.3254(3) 0.1663(3) 0.6265(3) 0.0503(14) Uani 1 1 d . . .
H3B1 H 0.2995 0.2012 0.6464 0.075 Uiso 1 1 calc R A .
H3B2 H 0.3533 0.1812 0.5886 0.075 Uiso 1 1 calc R . .
H3B3 H 0.3591 0.1477 0.6610 0.075 Uiso 1 1 calc R . .
C4B C 0.2235(3) 0.0951(4) 0.6590(3) 0.072(2) Uani 1 1 d . . .
H4B1 H 0.1965 0.1303 0.6770 0.107 Uiso 1 1 calc R A .
H4B2 H 0.2556 0.0770 0.6951 0.107 Uiso 1 1 calc R . .
H4B3 H 0.1886 0.0635 0.6417 0.107 Uiso 1 1 calc R . .
O1M O 0.2847(3) 0.3382(3) 0.6192(3) 0.0938(17) Uani 1 1 d D . .
H1M H 0.3026 0.3226 0.6554 0.141 Uiso 1 1 calc R . .
C1M C 0.3058(4) 0.4011(3) 0.6153(4) 0.094(3) Uani 1 1 d D . .
H1M1 H 0.2929 0.4228 0.6568 0.141 Uiso 1 1 calc R . .
H1M2 H 0.2802 0.4207 0.5760 0.141 Uiso 1 1 calc R . .
H1M3 H 0.3589 0.4037 0.6104 0.141 Uiso 1 1 calc R . .
O2M O 0.1372(2) 0.1591(2) 0.28161(18) 0.0663(12) Uani 1 1 d D . .
H2M H 0.0942 0.1473 0.2711 0.099 Uiso 1 1 calc R . .
C2M C 0.1807(3) 0.1536(3) 0.2249(3) 0.0673(18) Uani 1 1 d D . .
H2M1 H 0.1666 0.1858 0.1916 0.101 Uiso 1 1 calc R . .
H2M2 H 0.1731 0.1124 0.2042 0.101 Uiso 1 1 calc R . .
H2M3 H 0.2325 0.1585 0.2392 0.101 Uiso 1 1 calc R . .
O3M O 0.3100(3) -0.0706(2) 0.4649(4) 0.110(2) Uani 1 1 d D . .
H3M H 0.3098 -0.0318 0.4698 0.166 Uiso 1 1 calc R . .
C3M C 0.2407(3) -0.0947(3) 0.4791(3) 0.0606(16) Uani 1 1 d D . .
H3M1 H 0.2446 -0.1397 0.4866 0.091 Uiso 1 1 calc R . .
H3M2 H 0.2059 -0.0865 0.4408 0.091 Uiso 1 1 calc R . .
H3M3 H 0.2233 -0.0746 0.5199 0.091 Uiso 1 1 calc R . .
O4M O 0.4534(6) -0.0437(5) 0.5197(7) 0.107(4) Uiso 0.50 1 d PD B -1
H4M H 0.4150 -0.0485 0.4949 0.161 Uiso 0.50 1 calc PR B -1
C4M C 0.4930(7) 0.0077(5) 0.4964(8) 0.042(3) Uiso 0.50 1 d PD B -1
H4M1 H 0.5395 0.0115 0.5231 0.063 Uiso 0.50 1 calc PR B -1
H4M2 H 0.4641 0.0457 0.5012 0.063 Uiso 0.50 1 calc PR B -1
H4M3 H 0.5031 0.0016 0.4485 0.063 Uiso 0.50 1 calc PR B -1
O5M O -0.0041(4) 0.1751(4) 0.2193(4) 0.066(3) Uiso 0.535(8) 1 d PD C 1
H5M H 0.0344 0.1555 0.2115 0.100 Uiso 0.535(8) 1 calc PR C 1
C5M C -0.0126(8) 0.2253(6) 0.1735(8) 0.076(5) Uiso 0.535(8) 1 d PD C 1
H5M1 H -0.0388 0.2592 0.1949 0.114 Uiso 0.535(8) 1 calc PR C 1
H5M2 H -0.0406 0.2115 0.1327 0.114 Uiso 0.535(8) 1 calc PR C 1
H5M3 H 0.0359 0.2399 0.1612 0.114 Uiso 0.535(8) 1 calc PR C 1
O50M O -0.0769(8) 0.2053(7) 0.1848(8) 0.138(6) Uiso 0.465(8) 1 d PD C 2
H50M H -0.0669 0.1741 0.1613 0.208 Uiso 0.465(8) 1 calc PR C 2
C50M C -0.0170(9) 0.2468(9) 0.1872(10) 0.084(6) Uiso 0.465(8) 1 d PD C 2
H50A H -0.0334 0.2877 0.1706 0.126 Uiso 0.465(8) 1 calc PR C 2
H50B H 0.0212 0.2310 0.1585 0.126 Uiso 0.465(8) 1 calc PR C 2
H50C H 0.0028 0.2505 0.2340 0.126 Uiso 0.465(8) 1 calc PR C 2
O6M O 0.0107(8) 0.0963(7) 0.2333(7) 0.124(5) Uiso 0.465(8) 1 d PD C 2
H6M H -0.0327 0.1060 0.2410 0.185 Uiso 0.465(8) 1 calc PR C 2
C6M C 0.0111(11) 0.0583(9) 0.1752(9) 0.115(7) Uiso 0.465(8) 1 d PD C 2
H6M1 H -0.0347 0.0641 0.1480 0.173 Uiso 0.465(8) 1 calc PR C 2
H6M2 H 0.0157 0.0146 0.1890 0.173 Uiso 0.465(8) 1 calc PR C 2
H6M3 H 0.0527 0.0697 0.1482 0.173 Uiso 0.465(8) 1 calc PR C 2
O7M O -0.1735(12) 0.0849(11) 0.3445(9) 0.308(12) Uiso 0.656(8) 1 d PD D 3
H7M H -0.1748 0.1209 0.3610 0.462 Uiso 0.656(8) 1 calc PR D 3
C7M C -0.1353(9) 0.0861(8) 0.2844(9) 0.131(6) Uiso 0.656(8) 1 d PD D 3
H7M4 H -0.0887 0.1082 0.2925 0.196 Uiso 0.656(8) 1 calc PR D 3
H7M5 H -0.1650 0.1077 0.2489 0.196 Uiso 0.656(8) 1 calc PR D 3
H7M6 H -0.1257 0.0435 0.2698 0.196 Uiso 0.656(8) 1 calc PR D 3
O70M O -0.1494(6) 0.1508(5) 0.2613(5) 0.049(3) Uiso 0.344(8) 1 d PD D 4
H70M H -0.1044 0.1423 0.2645 0.073 Uiso 0.344(8) 1 calc PR D 4
C70M C -0.1588(14) 0.2138(6) 0.2435(13) 0.098(8) Uiso 0.344(8) 1 d PD D 4
H70A H -0.1770 0.2368 0.2821 0.146 Uiso 0.344(8) 1 calc PR D 4
H70B H -0.1943 0.2172 0.2048 0.146 Uiso 0.344(8) 1 calc PR D 4
H70C H -0.1117 0.2314 0.2312 0.146 Uiso 0.344(8) 1 calc PR D 4
O8M O -0.2152(12) 0.3144(10) 0.3564(11) 0.204(10) Uiso 0.510(12) 1 d PD E 1
H8M H -0.1903 0.3104 0.3931 0.306 Uiso 0.510(12) 1 calc PR E 1
C8M C -0.1843(19) 0.2777(14) 0.3060(14) 0.170(17) Uiso 0.510(12) 1 d PD E 1
H8M1 H -0.1364 0.2948 0.2953 0.255 Uiso 0.510(12) 1 calc PR E 1
H8M2 H -0.2169 0.2777 0.2651 0.255 Uiso 0.510(12) 1 calc PR E 1
H8M3 H -0.1779 0.2349 0.3226 0.255 Uiso 0.510(12) 1 calc PR E 1
O80M O -0.1896(6) 0.2334(5) 0.3505(6) 0.089(4) Uiso 0.490(12) 1 d PD E 2
H80M H -0.1719 0.2342 0.3906 0.134 Uiso 0.490(12) 1 calc PR E 2
C80M C -0.1869(13) 0.2936(7) 0.3223(13) 0.087(6) Uiso 0.490(12) 1 d PD E 2
H8M4 H -0.2125 0.2937 0.2775 0.130 Uiso 0.490(12) 1 calc PR E 2
H8M5 H -0.1356 0.3058 0.3179 0.130 Uiso 0.490(12) 1 calc PR E 2
H8M6 H -0.2107 0.3231 0.3520 0.130 Uiso 0.490(12) 1 calc PR E 2
O9M O -0.2217(8) 0.3290(7) 0.5349(7) 0.100(6) Uiso 0.404(11) 1 d PD . .
H9M H -0.1884 0.3139 0.5120 0.150 Uiso 0.404(11) 1 calc PR . .
C9M C -0.1947(12) 0.3380(11) 0.6023(7) 0.101(8) Uiso 0.404(11) 1 d PD . .
H9M1 H -0.2137 0.3773 0.6195 0.151 Uiso 0.404(11) 1 calc PR . .
H9M2 H -0.1409 0.3396 0.6036 0.151 Uiso 0.404(11) 1 calc PR . .
H9M3 H -0.2105 0.3036 0.6306 0.151 Uiso 0.404(11) 1 calc PR . .
O10M O -0.303(2) 0.3706(17) 0.378(2) 0.39(2) Uiso 0.490(12) 1 d PD E 4
H10M H -0.3028 0.3647 0.4198 0.578 Uiso 0.490(12) 1 calc PR E 4
C10M C -0.3379(19) 0.4274(16) 0.3615(18) 0.221(16) Uiso 0.490(12) 1 d PD E 4
H10A H -0.3363 0.4544 0.4015 0.331 Uiso 0.490(12) 1 calc PR E 4
H10B H -0.3891 0.4194 0.3468 0.331 Uiso 0.490(12) 1 calc PR E 4
H10C H -0.3128 0.4479 0.3248 0.331 Uiso 0.490(12) 1 calc PR E 4


_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 O1A 1.894(3) . ?
Co1 O12 1.910(5) . ?
Co1 N1A 1.913(4) . ?
Co1 O1 1.920(3) . ?
Co1 O1D 1.926(9) . ?
Co1 N11 1.944(4) . ?
Co1 N21 2.006(4) . ?
Co2 O2 2.023(3) . ?
Co2 O1 2.025(3) . ?
Co2 N13 2.047(9) . ?
Co2 N12 2.074(5) . ?
Co2 N1D 2.174(7) . ?
Co2 N23 2.184(11) . ?
Co2 N1T 2.209(7) . ?
Co2 N22 2.299(4) . ?
Co2 N2D 2.312(6) . ?
Co2 N2T 2.392(7) . ?
Co3 O13 1.830(8) . ?
Co3 O1B 1.883(3) . ?
Co3 O2 1.909(3) . ?
Co3 N1B 1.928(4) . ?
Co3 N14 1.955(4) . ?
Co3 N24 1.996(4) . ?
Co3 O1T 2.052(8) . ?
O1 H1 0.8402 . ?
O2 H2 0.8398 . ?
O11 N11 1.280(5) . ?
N11 C141 1.315(6) . ?
N21 C151 1.310(6) . ?
N21 C11 1.390(6) . ?
N31 C71 1.306(7) . ?
N31 C61 1.376(7) . ?
C11 C21 1.407(7) . ?
C11 C61 1.432(7) . ?
C21 C31 1.388(8) . ?
C21 H21 0.9500 . ?
C31 C41 1.397(9) . ?
C31 H31 0.9500 . ?
C41 C51 1.363(9) . ?
C41 H41 0.9500 . ?
C51 C61 1.407(7) . ?
C51 H51 0.9500 . ?
C71 C151 1.417(7) . ?
C71 C81 1.474(7) . ?
C81 C91 1.393(7) . ?
C81 C131 1.419(7) . ?
C91 C101 1.384(8) . ?
C91 H91 0.9500 . ?
C101 C111 1.383(9) . ?
C101 H101 0.9500 . ?
C111 C121 1.398(7) . ?
C111 H111 0.9500 . ?
C121 C131 1.393(7) . ?
C121 H121 0.9500 . ?
C131 C141 1.462(6) . ?
C141 C151 1.430(7) . ?
O12 N12 1.359(5) . ?
N12 C142 1.300(5) . ?
N22 C152 1.300(8) . ?
N22 C12 1.385(6) . ?
N32 C72 1.314(6) . ?
N32 C62 1.375(6) . ?
C12 C22 1.400(7) . ?
C12 C62 1.438(7) . ?
C22 C32 1.376(7) . ?
C22 H22 0.9500 . ?
C32 C42 1.393(8) . ?
C32 H32 0.9500 . ?
C42 C52 1.361(8) . ?
C42 H42 0.9500 . ?
C52 C62 1.417(8) . ?
C52 H52 0.9500 . ?
C72 C152 1.433(7) . ?
C72 C82 1.468(7) . ?
C82 C92 1.389(7) . ?
C82 C132 1.426(6) . ?
C92 C102 1.374(8) . ?
C92 H92 0.9500 . ?
C102 C112 1.396(7) . ?
C102 H102 0.9500 . ?
C112 C122 1.410(7) . ?
C112 H112 0.9500 . ?
C122 C132 1.378(8) . ?
C122 H122 0.9500 . ?
C132 C142 1.468(7) . ?
C142 C152 1.458(8) . ?
O1D N1D 1.356(5) . ?
N1D C14D 1.299(6) . ?
N2D C15D 1.300(8) . ?
N2D C1D 1.385(6) . ?
N3D C7D 1.314(6) . ?
N3D C6D 1.375(6) . ?
C1D C2D 1.400(7) . ?
C1D C6D 1.437(7) . ?
C2D C3D 1.376(7) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.393(8) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.361(8) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.417(8) . ?
C5D H5D 0.9500 . ?
C7D C15D 1.433(7) . ?
C7D C8D 1.468(7) . ?
C8D C9D 1.389(7) . ?
C8D C13D 1.426(7) . ?
C9D C10D 1.375(8) . ?
C9D H9D 0.9500 . ?
C10D C11D 1.396(7) . ?
C10D H10D 0.9500 . ?
C11D C12D 1.410(7) . ?
C11D H11D 0.9500 . ?
C12D C13D 1.379(8) . ?
C12D H12D 0.9500 . ?
C13D C14D 1.468(7) . ?
C14D C15D 1.459(8) . ?
O13 N13 1.315(9) . ?
N13 C143 1.303(16) . ?
N23 C153 1.309(13) . ?
N23 C13 1.393(12) . ?
N33 C73 1.305(11) . ?
N33 C63 1.375(11) . ?
C13 C23 1.403(13) . ?
C13 C63 1.429(13) . ?
C23 C33 1.350(14) . ?
C23 H23 0.9500 . ?
C33 C43 1.406(14) . ?
C33 H33 0.9500 . ?
C43 C53 1.365(13) . ?
C43 H43 0.9500 . ?
C53 C63 1.417(13) . ?
C53 H53 0.9500 . ?
C73 C153 1.429(15) . ?
C73 C83 1.468(12) . ?
C83 C93 1.399(14) . ?
C83 C133 1.426(14) . ?
C93 C103 1.392(14) . ?
C93 H93 0.9500 . ?
C103 C113 1.376(16) . ?
C103 H103 0.9500 . ?
C113 C123 1.388(18) . ?
C113 H113 0.9500 . ?
C123 C133 1.378(12) . ?
C123 H123 0.9500 . ?
C133 C143 1.476(15) . ?
C143 C153 1.451(13) . ?
O1T N1T 1.356(5) . ?
N1T C14T 1.299(6) . ?
N2T C15T 1.300(8) . ?
N2T C1T 1.385(6) . ?
N3T C7T 1.314(6) . ?
N3T C6T 1.374(6) . ?
C1T C2T 1.400(7) . ?
C1T C6T 1.437(7) . ?
C2T C3T 1.376(7) . ?
C2T H2T 0.9500 . ?
C3T C4T 1.393(8) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.361(8) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.417(8) . ?
C5T H5T 0.9500 . ?
C7T C15T 1.432(7) . ?
C7T C8T 1.468(7) . ?
C8T C9T 1.389(7) . ?
C8T C13T 1.426(7) . ?
C9T C10T 1.374(8) . ?
C9T H9T 0.9500 . ?
C10T C11T 1.395(7) . ?
C10T H10T 0.9500 . ?
C11T C12T 1.410(7) . ?
C11T H11T 0.9500 . ?
C12T C13T 1.379(8) . ?
C12T H12T 0.9500 . ?
C13T C14T 1.468(7) . ?
C14T C15T 1.459(8) . ?
O14 N14 1.284(5) . ?
N14 C144 1.312(7) . ?
N24 C154 1.308(6) . ?
N24 C14 1.386(6) . ?
N34 C74 1.316(7) . ?
N34 C64 1.376(6) . ?
C14 C24 1.410(7) . ?
C14 C64 1.430(7) . ?
C24 C34 1.380(7) . ?
C24 H24 0.9500 . ?
C34 C44 1.401(8) . ?
C34 H34 0.9500 . ?
C44 C54 1.366(7) . ?
C44 H44 0.9500 . ?
C54 C64 1.411(7) . ?
C54 H54 0.9500 . ?
C74 C154 1.408(7) . ?
C74 C84 1.479(7) . ?
C84 C94 1.379(9) . ?
C84 C134 1.398(8) . ?
C94 C104 1.398(10) . ?
C94 H94 0.9500 . ?
C104 C114 1.359(11) . ?
C104 H104 0.9500 . ?
C114 C124 1.372(9) . ?
C114 H114 0.9500 . ?
C124 C134 1.386(7) . ?
C124 H124 0.9500 . ?
C134 C144 1.472(7) . ?
C144 C154 1.425(7) . ?
O1A C1A 1.280(6) . ?
O2A C1A 1.235(6) . ?
C1A C2A 1.542(7) . ?
C2A N1A 1.496(6) . ?
C2A C3A 1.526(7) . ?
C2A C4A 1.536(7) . ?
N1A H1A1 0.9200 . ?
N1A H1A2 0.9200 . ?
C3A H3A1 0.9800 . ?
C3A H3A2 0.9800 . ?
C3A H3A3 0.9800 . ?
C4A H4A1 0.9800 . ?
C4A H4A2 0.9800 . ?
C4A H4A3 0.9800 . ?
O1B C1B 1.292(7) . ?
O2B C1B 1.223(6) . ?
C1B C2B 1.546(8) . ?
C2B N1B 1.501(6) . ?
C2B C3B 1.521(8) . ?
C2B C4B 1.539(7) . ?
N1B H1B1 0.9200 . ?
N1B H1B2 0.9200 . ?
C3B H3B1 0.9800 . ?
C3B H3B2 0.9800 . ?
C3B H3B3 0.9800 . ?
C4B H4B1 0.9800 . ?
C4B H4B2 0.9800 . ?
C4B H4B3 0.9800 . ?
O1M C1M 1.409(2) . ?
O1M H1M 0.8400 . ?
C1M H1M1 0.9800 . ?
C1M H1M2 0.9800 . ?
C1M H1M3 0.9800 . ?
O2M C2M 1.410(2) . ?
O2M H2M 0.8400 . ?
C2M H2M1 0.9800 . ?
C2M H2M2 0.9800 . ?
C2M H2M3 0.9800 . ?
O3M C3M 1.408(2) . ?
O3M H3M 0.8400 . ?
C3M H3M1 0.9800 . ?
C3M H3M2 0.9800 . ?
C3M H3M3 0.9800 . ?
O4M C4M 1.410(2) . ?
O4M H4M 0.8400 . ?
C4M H4M1 0.9800 . ?
C4M H4M2 0.9800 . ?
C4M H4M3 0.9800 . ?
O5M C5M 1.410(2) . ?
O5M H5M 0.8400 . ?
C5M H5M1 0.9800 . ?
C5M H5M2 0.9800 . ?
C5M H5M3 0.9800 . ?
O50M C50M 1.410(2) . ?
O50M H50M 0.8400 . ?
C50M H50A 0.9800 . ?
C50M H50B 0.9800 . ?
C50M H50C 0.9800 . ?
O6M C6M 1.410(2) . ?
O6M H6M 0.8400 . ?
C6M H6M1 0.9800 . ?
C6M H6M2 0.9800 . ?
C6M H6M3 0.9800 . ?
O7M C7M 1.407(2) . ?
O7M H7M 0.8400 . ?
C7M H7M4 0.9800 . ?
C7M H7M5 0.9800 . ?
C7M H7M6 0.9800 . ?
O70M C70M 1.409(2) . ?
O70M H70M 0.8400 . ?
C70M H70A 0.9800 . ?
C70M H70B 0.9800 . ?
C70M H70C 0.9800 . ?
O8M C8M 1.410(2) . ?
O8M H8M 0.8400 . ?
C8M H8M1 0.9800 . ?
C8M H8M2 0.9800 . ?
C8M H8M3 0.9800 . ?
O80M C80M 1.410(2) . ?
O80M H80M 0.8400 . ?
C80M H8M4 0.9800 . ?
C80M H8M5 0.9800 . ?
C80M H8M6 0.9800 . ?
O9M C9M 1.409(2) . ?
O9M H9M 0.8400 . ?
C9M H9M1 0.9800 . ?
C9M H9M2 0.9800 . ?
C9M H9M3 0.9800 . ?
O10M C10M 1.410(2) . ?
O10M H10M 0.8400 . ?
C10M H10A 0.9800 . ?
C10M H10B 0.9800 . ?
C10M H10C 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
O1A Co1 O12 84.93(17) . . ?
O1A Co1 N1A 84.66(15) . . ?
O12 Co1 N1A 87.7(3) . . ?
O1A Co1 O1 176.43(15) . . ?
O12 Co1 O1 93.76(17) . . ?
N1A Co1 O1 91.98(15) . . ?
O1A Co1 O1D 87.0(3) . . ?
O12 Co1 O1D 8.9(4) . . ?
N1A Co1 O1D 96.5(4) . . ?
O1 Co1 O1D 92.3(3) . . ?
O1A Co1 N11 92.64(14) . . ?
O12 Co1 N11 175.8(2) . . ?
N1A Co1 N11 88.64(16) . . ?
O1 Co1 N11 88.46(14) . . ?
O1D Co1 N11 174.8(4) . . ?
O1A Co1 N21 89.99(15) . . ?
O12 Co1 N21 97.8(3) . . ?
N1A Co1 N21 171.96(16) . . ?
O1 Co1 N21 93.48(15) . . ?
O1D Co1 N21 89.2(4) . . ?
N11 Co1 N21 85.61(16) . . ?
O2 Co2 O1 94.79(13) . . ?
O2 Co2 N13 79.5(3) . . ?
O1 Co2 N13 97.7(3) . . ?
O2 Co2 N12 97.5(3) . . ?
O1 Co2 N12 81.51(16) . . ?
N13 Co2 N12 176.8(4) . . ?
O2 Co2 N1D 91.0(4) . . ?
O1 Co2 N1D 82.67(19) . . ?
N13 Co2 N1D 170.4(4) . . ?
N12 Co2 N1D 6.6(5) . . ?
O2 Co2 N23 160.3(3) . . ?
O1 Co2 N23 92.6(3) . . ?
N13 Co2 N23 81.4(4) . . ?
N12 Co2 N23 101.7(3) . . ?
N1D Co2 N23 108.1(4) . . ?
O2 Co2 N1T 84.53(19) . . ?
O1 Co2 N1T 97.1(3) . . ?
N13 Co2 N1T 5.1(4) . . ?
N12 Co2 N1T 177.6(3) . . ?
N1D Co2 N1T 175.4(4) . . ?
N23 Co2 N1T 76.4(3) . . ?
O2 Co2 N22 94.8(3) . . ?
O1 Co2 N22 159.1(2) . . ?
N13 Co2 N22 102.4(4) . . ?
N12 Co2 N22 78.82(18) . . ?
N1D Co2 N22 78.61(19) . . ?
N23 Co2 N22 84.5(4) . . ?
N1T Co2 N22 102.3(4) . . ?
O2 Co2 N2D 99.5(5) . . ?
O1 Co2 N2D 154.7(3) . . ?
N13 Co2 N2D 105.4(4) . . ?
N12 Co2 N2D 76.0(2) . . ?
N1D Co2 N2D 76.3(2) . . ?
N23 Co2 N2D 80.8(5) . . ?
N1T Co2 N2D 104.9(4) . . ?
N22 Co2 N2D 5.3(6) . . ?
O2 Co2 N2T 157.2(2) . . ?
O1 Co2 N2T 95.4(4) . . ?
N13 Co2 N2T 79.0(3) . . ?
N12 Co2 N2T 104.1(3) . . ?
N1D Co2 N2T 110.5(4) . . ?
N23 Co2 N2T 3.5(5) . . ?
N1T Co2 N2T 74.1(2) . . ?
N22 Co2 N2T 82.6(4) . . ?
N2D Co2 N2T 79.1(6) . . ?
O13 Co3 O1B 87.1(2) . . ?
O13 Co3 O2 91.5(2) . . ?
O1B Co3 O2 176.70(16) . . ?
O13 Co3 N1B 92.5(3) . . ?
O1B Co3 N1B 84.99(16) . . ?
O2 Co3 N1B 92.10(15) . . ?
O13 Co3 N14 178.9(2) . . ?
O1B Co3 N14 91.86(15) . . ?
O2 Co3 N14 89.58(15) . . ?
N1B Co3 N14 87.85(18) . . ?
O13 Co3 N24 94.3(3) . . ?
O1B Co3 N24 89.51(16) . . ?
O2 Co3 N24 93.57(14) . . ?
N1B Co3 N24 170.99(17) . . ?
N14 Co3 N24 85.20(17) . . ?
O13 Co3 O1T 4.8(5) . . ?
O1B Co3 O1T 83.3(2) . . ?
O2 Co3 O1T 95.1(2) . . ?
N1B Co3 O1T 89.2(3) . . ?
N14 Co3 O1T 174.6(3) . . ?
N24 Co3 O1T 97.2(3) . . ?
Co1 O1 Co2 118.61(16) . . ?
Co1 O1 H1 116.8 . . ?
Co2 O1 H1 112.5 . . ?
Co3 O2 Co2 119.10(16) . . ?
Co3 O2 H2 119.1 . . ?
Co2 O2 H2 117.4 . . ?
O11 N11 C141 123.1(4) . . ?
O11 N11 Co1 125.3(3) . . ?
C141 N11 Co1 111.5(3) . . ?
C151 N21 C11 113.3(4) . . ?
C151 N21 Co1 105.5(3) . . ?
C11 N21 Co1 141.1(3) . . ?
C71 N31 C61 114.5(4) . . ?
N21 C11 C21 119.9(5) . . ?
N21 C11 C61 120.1(4) . . ?
C21 C11 C61 120.0(5) . . ?
C31 C21 C11 119.1(6) . . ?
C31 C21 H21 120.5 . . ?
C11 C21 H21 120.5 . . ?
C21 C31 C41 121.1(6) . . ?
C21 C31 H31 119.4 . . ?
C41 C31 H31 119.4 . . ?
C51 C41 C31 120.2(6) . . ?
C51 C41 H41 119.9 . . ?
C31 C41 H41 119.9 . . ?
C41 C51 C61 121.3(6) . . ?
C41 C51 H51 119.3 . . ?
C61 C51 H51 119.3 . . ?
N31 C61 C51 118.4(5) . . ?
N31 C61 C11 123.4(5) . . ?
C51 C61 C11 118.2(5) . . ?
N31 C71 C151 122.0(5) . . ?
N31 C71 C81 132.2(5) . . ?
C151 C71 C81 105.7(4) . . ?
C91 C81 C131 120.6(5) . . ?
C91 C81 C71 130.4(5) . . ?
C131 C81 C71 108.9(4) . . ?
C101 C91 C81 118.4(5) . . ?
C101 C91 H91 120.8 . . ?
C81 C91 H91 120.8 . . ?
C111 C101 C91 121.0(5) . . ?
C111 C101 H101 119.5 . . ?
C91 C101 H101 119.5 . . ?
C101 C111 C121 121.9(6) . . ?
C101 C111 H111 119.1 . . ?
C121 C111 H111 119.1 . . ?
C131 C121 C111 117.5(5) . . ?
C131 C121 H121 121.2 . . ?
C111 C121 H121 121.2 . . ?
C121 C131 C81 120.5(5) . . ?
C121 C131 C141 131.6(5) . . ?
C81 C131 C141 107.8(4) . . ?
N11 C141 C151 114.6(4) . . ?
N11 C141 C131 138.8(5) . . ?
C151 C141 C131 106.5(4) . . ?
N21 C151 C71 126.5(5) . . ?
N21 C151 C141 122.6(4) . . ?
C71 C151 C141 111.0(4) . . ?
N12 O12 Co1 113.9(3) . . ?
C142 N12 O12 116.4(4) . . ?
C142 N12 Co2 115.9(3) . . ?
O12 N12 Co2 126.5(3) . . ?
C152 N22 C12 114.2(4) . . ?
C152 N22 Co2 103.9(3) . . ?
C12 N22 Co2 141.8(4) . . ?
C72 N32 C62 114.3(4) . . ?
N22 C12 C22 120.3(5) . . ?
N22 C12 C62 120.0(4) . . ?
C22 C12 C62 119.7(5) . . ?
C32 C22 C12 120.1(5) . . ?
C32 C22 H22 119.9 . . ?
C12 C22 H22 119.9 . . ?
C22 C32 C42 120.4(5) . . ?
C22 C32 H32 119.8 . . ?
C42 C32 H32 119.8 . . ?
C52 C42 C32 121.3(6) . . ?
C52 C42 H42 119.4 . . ?
C32 C42 H42 119.4 . . ?
C42 C52 C62 120.5(6) . . ?
C42 C52 H52 119.8 . . ?
C62 C52 H52 119.8 . . ?
N32 C62 C52 118.5(5) . . ?
N32 C62 C12 123.6(5) . . ?
C52 C62 C12 118.0(5) . . ?
N32 C72 C152 122.0(5) . . ?
N32 C72 C82 130.8(4) . . ?
C152 C72 C82 107.1(5) . . ?
C92 C82 C132 119.6(5) . . ?
C92 C82 C72 131.3(4) . . ?
C132 C82 C72 109.0(4) . . ?
C102 C92 C82 118.9(5) . . ?
C102 C92 H92 120.6 . . ?
C82 C92 H92 120.6 . . ?
C92 C102 C112 121.6(5) . . ?
C92 C102 H102 119.2 . . ?
C112 C102 H102 119.2 . . ?
C102 C112 C122 120.6(6) . . ?
C102 C112 H112 119.7 . . ?
C122 C112 H112 119.7 . . ?
C132 C122 C112 117.7(5) . . ?
C132 C122 H122 121.2 . . ?
C112 C122 H122 121.2 . . ?
C122 C132 C82 121.4(5) . . ?
C122 C132 C142 130.9(5) . . ?
C82 C132 C142 107.7(5) . . ?
N12 C142 C152 116.0(5) . . ?
N12 C142 C132 136.5(5) . . ?
C152 C142 C132 107.3(4) . . ?
N22 C152 C72 125.9(5) . . ?
N22 C152 C142 125.3(5) . . ?
C72 C152 C142 108.8(5) . . ?
N1D O1D Co1 113.2(5) . . ?
C14D N1D O1D 117.5(5) . . ?
C14D N1D Co2 116.2(4) . . ?
O1D N1D Co2 121.5(6) . . ?
C15D N2D C1D 114.3(4) . . ?
C15D N2D Co2 106.6(4) . . ?
C1D N2D Co2 139.1(4) . . ?
C7D N3D C6D 114.3(5) . . ?
N2D C1D C2D 120.2(5) . . ?
N2D C1D C6D 119.8(5) . . ?
C2D C1D C6D 119.9(5) . . ?
C3D C2D C1D 120.1(5) . . ?
C3D C2D H2D 120.0 . . ?
C1D C2D H2D 120.0 . . ?
C2D C3D C4D 120.3(6) . . ?
C2D C3D H3D 119.9 . . ?
C4D C3D H3D 119.9 . . ?
C5D C4D C3D 121.4(6) . . ?
C5D C4D H4D 119.3 . . ?
C3D C4D H4D 119.3 . . ?
C4D C5D C6D 120.5(6) . . ?
C4D C5D H5D 119.7 . . ?
C6D C5D H5D 119.7 . . ?
N3D C6D C5D 118.6(5) . . ?
N3D C6D C1D 123.6(5) . . ?
C5D C6D C1D 117.8(5) . . ?
N3D C7D C15D 121.9(5) . . ?
N3D C7D C8D 131.0(5) . . ?
C15D C7D C8D 107.1(5) . . ?
C9D C8D C13D 119.7(5) . . ?
C9D C8D C7D 131.2(5) . . ?
C13D C8D C7D 109.0(5) . . ?
C10D C9D C8D 118.9(5) . . ?
C10D C9D H9D 120.5 . . ?
C8D C9D H9D 120.5 . . ?
C9D C10D C11D 121.5(6) . . ?
C9D C10D H10D 119.3 . . ?
C11D C10D H10D 119.3 . . ?
C10D C11D C12D 120.5(6) . . ?
C10D C11D H11D 119.7 . . ?
C12D C11D H11D 119.7 . . ?
C13D C12D C11D 117.6(5) . . ?
C13D C12D H12D 121.2 . . ?
C11D C12D H12D 121.2 . . ?
C12D C13D C8D 121.3(5) . . ?
C12D C13D C14D 130.8(4) . . ?
C8D C13D C14D 107.7(5) . . ?
N1D C14D C15D 115.6(5) . . ?
N1D C14D C13D 136.9(4) . . ?
C15D C14D C13D 107.2(4) . . ?
N2D C15D C7D 125.7(6) . . ?
N2D C15D C14D 125.3(5) . . ?
C7D C15D C14D 108.9(6) . . ?
N13 O13 Co3 115.3(7) . . ?
C143 N13 O13 117.4(9) . . ?
C143 N13 Co2 114.0(6) . . ?
O13 N13 Co2 128.5(8) . . ?
C153 N23 C13 113.4(10) . . ?
C153 N23 Co2 104.2(7) . . ?
C13 N23 Co2 142.2(8) . . ?
C73 N33 C63 114.6(8) . . ?
N23 C13 C23 119.5(9) . . ?
N23 C13 C63 120.7(9) . . ?
C23 C13 C63 119.8(8) . . ?
C33 C23 C13 120.8(10) . . ?
C33 C23 H23 119.6 . . ?
C13 C23 H23 119.6 . . ?
C23 C33 C43 120.4(10) . . ?
C23 C33 H33 119.8 . . ?
C43 C33 H33 119.8 . . ?
C53 C43 C33 120.5(10) . . ?
C53 C43 H43 119.8 . . ?
C33 C43 H43 119.8 . . ?
C43 C53 C63 120.8(9) . . ?
C43 C53 H53 119.6 . . ?
C63 C53 H53 119.6 . . ?
N33 C63 C53 119.2(8) . . ?
N33 C63 C13 123.1(8) . . ?
C53 C63 C13 117.6(8) . . ?
N33 C73 C153 122.4(8) . . ?
N33 C73 C83 130.4(9) . . ?
C153 C73 C83 107.2(8) . . ?
C93 C83 C133 120.0(9) . . ?
C93 C83 C73 130.9(9) . . ?
C133 C83 C73 109.0(8) . . ?
C103 C93 C83 118.5(10) . . ?
C103 C93 H93 120.8 . . ?
C83 C93 H93 120.8 . . ?
C113 C103 C93 120.6(11) . . ?
C113 C103 H103 119.7 . . ?
C93 C103 H103 119.7 . . ?
C103 C113 C123 122.0(10) . . ?
C103 C113 H113 119.0 . . ?
C123 C113 H113 119.0 . . ?
C133 C123 C113 118.5(12) . . ?
C133 C123 H123 120.7 . . ?
C113 C123 H123 120.7 . . ?
C123 C133 C83 120.3(11) . . ?
C123 C133 C143 132.3(11) . . ?
C83 C133 C143 107.4(8) . . ?
N13 C143 C153 115.2(10) . . ?
N13 C143 C133 137.6(9) . . ?
C153 C143 C133 107.2(10) . . ?
N23 C153 C73 125.7(9) . . ?
N23 C153 C143 125.2(12) . . ?
C73 C153 C143 109.1(9) . . ?
N1T O1T Co3 112.7(5) . . ?
C14T N1T O1T 117.7(5) . . ?
C14T N1T Co2 118.0(4) . . ?
O1T N1T Co2 124.2(4) . . ?
C15T N2T C1T 114.4(4) . . ?
C15T N2T Co2 106.8(4) . . ?
C1T N2T Co2 138.5(4) . . ?
C7T N3T C6T 114.3(5) . . ?
N2T C1T C2T 120.2(5) . . ?
N2T C1T C6T 119.9(5) . . ?
C2T C1T C6T 119.8(5) . . ?
C3T C2T C1T 120.1(5) . . ?
C3T C2T H2T 119.9 . . ?
C1T C2T H2T 119.9 . . ?
C2T C3T C4T 120.2(6) . . ?
C2T C3T H3T 119.9 . . ?
C4T C3T H3T 119.9 . . ?
C5T C4T C3T 121.3(6) . . ?
C5T C4T H4T 119.3 . . ?
C3T C4T H4T 119.3 . . ?
C4T C5T C6T 120.5(6) . . ?
C4T C5T H5T 119.8 . . ?
C6T C5T H5T 119.8 . . ?
N3T C6T C5T 118.5(5) . . ?
N3T C6T C1T 123.6(5) . . ?
C5T C6T C1T 117.8(5) . . ?
N3T C7T C15T 122.0(5) . . ?
N3T C7T C8T 130.8(5) . . ?
C15T C7T C8T 107.1(5) . . ?
C9T C8T C13T 119.9(5) . . ?
C9T C8T C7T 131.0(5) . . ?
C13T C8T C7T 109.1(5) . . ?
C10T C9T C8T 118.9(5) . . ?
C10T C9T H9T 120.5 . . ?
C8T C9T H9T 120.5 . . ?
C9T C10T C11T 121.5(6) . . ?
C9T C10T H10T 119.3 . . ?
C11T C10T H10T 119.3 . . ?
C10T C11T C12T 120.7(6) . . ?
C10T C11T H11T 119.7 . . ?
C12T C11T H11T 119.7 . . ?
C13T C12T C11T 117.8(5) . . ?
C13T C12T H12T 121.1 . . ?
C11T C12T H12T 121.1 . . ?
C12T C13T C8T 121.2(5) . . ?
C12T C13T C14T 131.1(5) . . ?
C8T C13T C14T 107.7(5) . . ?
N1T C14T C15T 115.6(5) . . ?
N1T C14T C13T 137.2(5) . . ?
C15T C14T C13T 107.2(4) . . ?
N2T C15T C7T 125.7(5) . . ?
N2T C15T C14T 125.4(5) . . ?
C7T C15T C14T 108.8(6) . . ?
O14 N14 C144 123.2(4) . . ?
O14 N14 Co3 125.1(4) . . ?
C144 N14 Co3 111.7(3) . . ?
C154 N24 C14 114.3(4) . . ?
C154 N24 Co3 105.7(3) . . ?
C14 N24 Co3 139.9(3) . . ?
C74 N34 C64 113.9(5) . . ?
N24 C14 C24 120.6(5) . . ?
N24 C14 C64 119.7(4) . . ?
C24 C14 C64 119.7(5) . . ?
C34 C24 C14 119.7(5) . . ?
C34 C24 H24 120.1 . . ?
C14 C24 H24 120.1 . . ?
C24 C34 C44 120.6(5) . . ?
C24 C34 H34 119.7 . . ?
C44 C34 H34 119.7 . . ?
C54 C44 C34 120.7(5) . . ?
C54 C44 H44 119.6 . . ?
C34 C44 H44 119.6 . . ?
C44 C54 C64 120.7(5) . . ?
C44 C54 H54 119.7 . . ?
C64 C54 H54 119.7 . . ?
N34 C64 C54 117.8(5) . . ?
N34 C64 C14 123.7(5) . . ?
C54 C64 C14 118.5(5) . . ?
N34 C74 C154 122.7(5) . . ?
N34 C74 C84 132.1(5) . . ?
C154 C74 C84 105.3(5) . . ?
C94 C84 C134 120.1(6) . . ?
C94 C84 C74 130.3(6) . . ?
C134 C84 C74 109.7(5) . . ?
C84 C94 C104 118.1(8) . . ?
C84 C94 H94 121.0 . . ?
C104 C94 H94 121.0 . . ?
C114 C104 C94 120.8(7) . . ?
C114 C104 H104 119.6 . . ?
C94 C104 H104 119.6 . . ?
C104 C114 C124 122.4(7) . . ?
C104 C114 H114 118.8 . . ?
C124 C114 H114 118.8 . . ?
C114 C124 C134 117.3(7) . . ?
C114 C124 H124 121.3 . . ?
C134 C124 H124 121.3 . . ?
C124 C134 C84 121.3(6) . . ?
C124 C134 C144 131.2(6) . . ?
C84 C134 C144 107.4(5) . . ?
N14 C144 C154 114.0(4) . . ?
N14 C144 C134 139.5(5) . . ?
C154 C144 C134 106.4(5) . . ?
N24 C154 C74 125.7(5) . . ?
N24 C154 C144 123.1(5) . . ?
C74 C154 C144 111.2(4) . . ?
C1A O1A Co1 114.6(3) . . ?
O2A C1A O1A 122.9(5) . . ?
O2A C1A C2A 119.9(5) . . ?
O1A C1A C2A 117.2(4) . . ?
N1A C2A C3A 110.4(4) . . ?
N1A C2A C4A 109.8(4) . . ?
C3A C2A C4A 111.0(4) . . ?
N1A C2A C1A 106.2(4) . . ?
C3A C2A C1A 108.4(4) . . ?
C4A C2A C1A 110.9(4) . . ?
C2A N1A Co1 112.0(3) . . ?
C2A N1A H1A1 109.2 . . ?
Co1 N1A H1A1 109.2 . . ?
C2A N1A H1A2 109.2 . . ?
Co1 N1A H1A2 109.2 . . ?
H1A1 N1A H1A2 107.9 . . ?
C2A C3A H3A1 109.5 . . ?
C2A C3A H3A2 109.5 . . ?
H3A1 C3A H3A2 109.5 . . ?
C2A C3A H3A3 109.5 . . ?
H3A1 C3A H3A3 109.5 . . ?
H3A2 C3A H3A3 109.5 . . ?
C2A C4A H4A1 109.5 . . ?
C2A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C2A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
C1B O1B Co3 115.8(3) . . ?
O2B C1B O1B 123.7(5) . . ?
O2B C1B C2B 119.5(6) . . ?
O1B C1B C2B 116.8(4) . . ?
N1B C2B C3B 111.2(4) . . ?
N1B C2B C4B 109.0(4) . . ?
C3B C2B C4B 110.6(5) . . ?
N1B C2B C1B 106.6(4) . . ?
C3B C2B C1B 110.7(4) . . ?
C4B C2B C1B 108.6(5) . . ?
C2B N1B Co3 111.2(3) . . ?
C2B N1B H1B1 109.4 . . ?
Co3 N1B H1B1 109.4 . . ?
C2B N1B H1B2 109.4 . . ?
Co3 N1B H1B2 109.4 . . ?
H1B1 N1B H1B2 108.0 . . ?
C2B C3B H3B1 109.5 . . ?
C2B C3B H3B2 109.5 . . ?
H3B1 C3B H3B2 109.5 . . ?
C2B C3B H3B3 109.5 . . ?
H3B1 C3B H3B3 109.5 . . ?
H3B2 C3B H3B3 109.5 . . ?
C2B C4B H4B1 109.5 . . ?
C2B C4B H4B2 109.5 . . ?
H4B1 C4B H4B2 109.5 . . ?
C2B C4B H4B3 109.5 . . ?
H4B1 C4B H4B3 109.5 . . ?
H4B2 C4B H4B3 109.5 . . ?
C1M O1M H1M 109.5 . . ?
O1M C1M H1M1 109.5 . . ?
O1M C1M H1M2 109.5 . . ?
H1M1 C1M H1M2 109.5 . . ?
O1M C1M H1M3 109.5 . . ?
H1M1 C1M H1M3 109.5 . . ?
H1M2 C1M H1M3 109.5 . . ?
C2M O2M H2M 109.5 . . ?
O2M C2M H2M1 109.5 . . ?
O2M C2M H2M2 109.5 . . ?
H2M1 C2M H2M2 109.5 . . ?
O2M C2M H2M3 109.5 . . ?
H2M1 C2M H2M3 109.5 . . ?
H2M2 C2M H2M3 109.5 . . ?
C3M O3M H3M 109.5 . . ?
O3M C3M H3M1 109.5 . . ?
O3M C3M H3M2 109.5 . . ?
H3M1 C3M H3M2 109.5 . . ?
O3M C3M H3M3 109.5 . . ?
H3M1 C3M H3M3 109.5 . . ?
H3M2 C3M H3M3 109.5 . . ?
C5M O5M H5M 109.5 . . ?
O5M C5M H5M1 109.5 . . ?
O5M C5M H5M2 109.5 . . ?
H5M1 C5M H5M2 109.5 . . ?
O5M C5M H5M3 109.5 . . ?
H5M1 C5M H5M3 109.5 . . ?
H5M2 C5M H5M3 109.5 . . ?
C50M O50M H50M 109.5 . . ?
O50M C50M H50A 109.5 . . ?
O50M C50M H50B 109.5 . . ?
H50A C50M H50B 109.5 . . ?
O50M C50M H50C 109.5 . . ?
H50A C50M H50C 109.5 . . ?
H50B C50M H50C 109.5 . . ?
C6M O6M H6M 109.5 . . ?
O6M C6M H6M1 109.5 . . ?
O6M C6M H6M2 109.5 . . ?
H6M1 C6M H6M2 109.5 . . ?
O6M C6M H6M3 109.5 . . ?
H6M1 C6M H6M3 109.5 . . ?
H6M2 C6M H6M3 109.5 . . ?
C7M O7M H7M 109.5 . . ?
O7M C7M H7M4 109.5 . . ?
O7M C7M H7M5 109.5 . . ?
H7M4 C7M H7M5 109.5 . . ?
O7M C7M H7M6 109.5 . . ?
H7M4 C7M H7M6 109.5 . . ?
H7M5 C7M H7M6 109.5 . . ?
C70M O70M H70M 109.5 . . ?
O70M C70M H70A 109.5 . . ?
O70M C70M H70B 109.5 . . ?
H70A C70M H70B 109.5 . . ?
O70M C70M H70C 109.5 . . ?
H70A C70M H70C 109.5 . . ?
H70B C70M H70C 109.5 . . ?
C8M O8M H8M 109.5 . . ?
O8M C8M H8M1 109.5 . . ?
O8M C8M H8M2 109.5 . . ?
H8M1 C8M H8M2 109.5 . . ?
O8M C8M H8M3 109.5 . . ?
H8M1 C8M H8M3 109.5 . . ?
H8M2 C8M H8M3 109.5 . . ?
C80M O80M H80M 109.5 . . ?
O80M C80M H8M4 109.5 . . ?
O80M C80M H8M5 109.5 . . ?
H8M4 C80M H8M5 109.5 . . ?
O80M C80M H8M6 109.5 . . ?
H8M4 C80M H8M6 109.5 . . ?
H8M5 C80M H8M6 109.5 . . ?
C9M O9M H9M 109.5 . . ?
O9M C9M H9M1 109.5 . . ?
O9M C9M H9M2 109.5 . . ?
H9M1 C9M H9M2 109.5 . . ?
O9M C9M H9M3 109.5 . . ?
H9M1 C9M H9M3 109.5 . . ?
H9M2 C9M H9M3 109.5 . . ?
C10M O10M H10M 109.5 . . ?
O10M C10M H10A 109.5 . . ?
O10M C10M H10B 109.5 . . ?
H10A C10M H10B 109.5 . . ?
O10M C10M H10C 109.5 . . ?
H10A C10M H10C 109.5 . . ?
H10B C10M H10C 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
O1A Co1 O1 Co2 49(2) . . . . ?
O12 Co1 O1 Co2 -19.9(3) . . . . ?
N1A Co1 O1 Co2 68.0(2) . . . . ?
O1D Co1 O1 Co2 -28.6(4) . . . . ?
N11 Co1 O1 Co2 156.5(2) . . . . ?
N21 Co1 O1 Co2 -117.95(19) . . . . ?
O2 Co2 O1 Co1 -74.68(19) . . . . ?
N13 Co2 O1 Co1 -154.7(3) . . . . ?
N12 Co2 O1 Co1 22.2(3) . . . . ?
N1D Co2 O1 Co1 15.7(4) . . . . ?
N23 Co2 O1 Co1 123.6(3) . . . . ?
N1T Co2 O1 Co1 -159.8(2) . . . . ?
N22 Co2 O1 Co1 42.3(8) . . . . ?
N2D Co2 O1 Co1 49.7(10) . . . . ?
N2T Co2 O1 Co1 125.7(2) . . . . ?
O13 Co3 O2 Co2 -25.5(3) . . . . ?
O1B Co3 O2 Co2 39(3) . . . . ?
N1B Co3 O2 Co2 67.1(2) . . . . ?
N14 Co3 O2 Co2 154.9(2) . . . . ?
N24 Co3 O2 Co2 -119.95(18) . . . . ?
O1T Co3 O2 Co2 -22.3(3) . . . . ?
O1 Co2 O2 Co3 -77.77(18) . . . . ?
N13 Co2 O2 Co3 19.2(4) . . . . ?
N12 Co2 O2 Co3 -159.82(19) . . . . ?
N1D Co2 O2 Co3 -160.5(2) . . . . ?
N23 Co2 O2 Co3 33.9(10) . . . . ?
N1T Co2 O2 Co3 18.9(4) . . . . ?
N22 Co2 O2 Co3 120.86(19) . . . . ?
N2D Co2 O2 Co3 123.2(2) . . . . ?
N2T Co2 O2 Co3 38.6(10) . . . . ?
O1A Co1 N11 O11 89.9(3) . . . . ?
O12 Co1 N11 O11 35(3) . . . . ?
N1A Co1 N11 O11 5.3(3) . . . . ?
O1 Co1 N11 O11 -86.7(3) . . . . ?
O1D Co1 N11 O11 175(3) . . . . ?
N21 Co1 N11 O11 179.7(4) . . . . ?
O1A Co1 N11 C141 -94.3(3) . . . . ?
O12 Co1 N11 C141 -149(3) . . . . ?
N1A Co1 N11 C141 -178.9(3) . . . . ?
O1 Co1 N11 C141 89.1(3) . . . . ?
O1D Co1 N11 C141 -9(3) . . . . ?
N21 Co1 N11 C141 -4.5(3) . . . . ?
O1A Co1 N21 C151 96.3(3) . . . . ?
O12 Co1 N21 C151 -178.8(3) . . . . ?
N1A Co1 N21 C151 48.1(12) . . . . ?
O1 Co1 N21 C151 -84.5(3) . . . . ?
O1D Co1 N21 C151 -176.7(4) . . . . ?
N11 Co1 N21 C151 3.7(3) . . . . ?
O1A Co1 N21 C11 -82.4(5) . . . . ?
O12 Co1 N21 C11 2.5(5) . . . . ?
N1A Co1 N21 C11 -130.6(10) . . . . ?
O1 Co1 N21 C11 96.8(5) . . . . ?
O1D Co1 N21 C11 4.6(6) . . . . ?
N11 Co1 N21 C11 -175.0(5) . . . . ?
C151 N21 C11 C21 -173.0(4) . . . . ?
Co1 N21 C11 C21 5.7(8) . . . . ?
C151 N21 C11 C61 4.7(6) . . . . ?
Co1 N21 C11 C61 -176.7(4) . . . . ?
N21 C11 C21 C31 178.5(5) . . . . ?
C61 C11 C21 C31 0.8(8) . . . . ?
C11 C21 C31 C41 1.3(9) . . . . ?
C21 C31 C41 C51 -1.4(10) . . . . ?
C31 C41 C51 C61 -0.6(10) . . . . ?
C71 N31 C61 C51 177.2(5) . . . . ?
C71 N31 C61 C11 -0.7(7) . . . . ?
C41 C51 C61 N31 -175.4(5) . . . . ?
C41 C51 C61 C11 2.6(8) . . . . ?
N21 C11 C61 N31 -2.5(7) . . . . ?
C21 C11 C61 N31 175.1(5) . . . . ?
N21 C11 C61 C51 179.6(5) . . . . ?
C21 C11 C61 C51 -2.7(7) . . . . ?
C61 N31 C71 C151 1.4(7) . . . . ?
C61 N31 C71 C81 -175.7(5) . . . . ?
N31 C71 C81 C91 1.2(9) . . . . ?
C151 C71 C81 C91 -176.3(5) . . . . ?
N31 C71 C81 C131 178.0(5) . . . . ?
C151 C71 C81 C131 0.6(5) . . . . ?
C131 C81 C91 C101 -0.3(7) . . . . ?
C71 C81 C91 C101 176.2(5) . . . . ?
C81 C91 C101 C111 0.2(8) . . . . ?
C91 C101 C111 C121 0.5(9) . . . . ?
C101 C111 C121 C131 -1.1(8) . . . . ?
C111 C121 C131 C81 1.0(7) . . . . ?
C111 C121 C131 C141 -176.8(5) . . . . ?
C91 C81 C131 C121 -0.3(7) . . . . ?
C71 C81 C131 C121 -177.5(4) . . . . ?
C91 C81 C131 C141 177.9(4) . . . . ?
C71 C81 C131 C141 0.7(5) . . . . ?
O11 N11 C141 C151 -179.8(4) . . . . ?
Co1 N11 C141 C151 4.2(5) . . . . ?
O11 N11 C141 C131 -3.5(8) . . . . ?
Co1 N11 C141 C131 -179.4(5) . . . . ?
C121 C131 C141 N11 -0.3(9) . . . . ?
C81 C131 C141 N11 -178.3(5) . . . . ?
C121 C131 C141 C151 176.2(5) . . . . ?
C81 C131 C141 C151 -1.8(5) . . . . ?
C11 N21 C151 C71 -4.3(6) . . . . ?
Co1 N21 C151 C71 176.6(4) . . . . ?
C11 N21 C151 C141 176.6(4) . . . . ?
Co1 N21 C151 C141 -2.5(5) . . . . ?
N31 C71 C151 N21 1.3(7) . . . . ?
C81 C71 C151 N21 179.0(4) . . . . ?
N31 C71 C151 C141 -179.5(4) . . . . ?
C81 C71 C151 C141 -1.7(5) . . . . ?
N11 C141 C151 N21 -1.0(6) . . . . ?
C131 C141 C151 N21 -178.5(4) . . . . ?
N11 C141 C151 C71 179.7(4) . . . . ?
C131 C141 C151 C71 2.2(5) . . . . ?
O1A Co1 O12 N12 -172.4(7) . . . . ?
N1A Co1 O12 N12 -87.5(6) . . . . ?
O1 Co1 O12 N12 4.3(7) . . . . ?
O1D Co1 O12 N12 85(2) . . . . ?
N11 Co1 O12 N12 -117(3) . . . . ?
N21 Co1 O12 N12 98.4(6) . . . . ?
Co1 O12 N12 C142 -179.8(8) . . . . ?
Co1 O12 N12 Co2 13.1(10) . . . . ?
O2 Co2 N12 C142 -95.0(8) . . . . ?
O1 Co2 N12 C142 171.3(9) . . . . ?
N13 Co2 N12 C142 -113(6) . . . . ?
N1D Co2 N12 C142 -89.1(18) . . . . ?
N23 Co2 N12 C142 80.3(9) . . . . ?
N1T Co2 N12 C142 117(8) . . . . ?
N22 Co2 N12 C142 -1.5(8) . . . . ?
N2D Co2 N12 C142 3.0(9) . . . . ?
N2T Co2 N12 C142 77.8(9) . . . . ?
O2 Co2 N12 O12 72.2(8) . . . . ?
O1 Co2 N12 O12 -21.6(8) . . . . ?
N13 Co2 N12 O12 54(7) . . . . ?
N1D Co2 N12 O12 78.1(19) . . . . ?
N23 Co2 N12 O12 -112.5(9) . . . . ?
N1T Co2 N12 O12 -76(9) . . . . ?
N22 Co2 N12 O12 165.6(9) . . . . ?
N2D Co2 N12 O12 170.2(10) . . . . ?
N2T Co2 N12 O12 -115.1(9) . . . . ?
O2 Co2 N22 C152 97.1(11) . . . . ?
O1 Co2 N22 C152 -19.9(15) . . . . ?
N13 Co2 N22 C152 177.3(11) . . . . ?
N12 Co2 N22 C152 0.4(11) . . . . ?
N1D Co2 N22 C152 7.1(11) . . . . ?
N23 Co2 N22 C152 -102.7(11) . . . . ?
N1T Co2 N22 C152 -177.5(10) . . . . ?
N2D Co2 N22 C152 -57(4) . . . . ?
N2T Co2 N22 C152 -105.7(11) . . . . ?
O2 Co2 N22 C12 -83.1(13) . . . . ?
O1 Co2 N22 C12 159.9(9) . . . . ?
N13 Co2 N22 C12 -2.8(14) . . . . ?
N12 Co2 N22 C12 -179.8(14) . . . . ?
N1D Co2 N22 C12 -173.1(14) . . . . ?
N23 Co2 N22 C12 77.1(14) . . . . ?
N1T Co2 N22 C12 2.3(14) . . . . ?
N2D Co2 N22 C12 123(5) . . . . ?
N2T Co2 N22 C12 74.2(13) . . . . ?
C152 N22 C12 C22 179.1(13) . . . . ?
Co2 N22 C12 C22 -0.7(19) . . . . ?
C152 N22 C12 C62 -3.9(17) . . . . ?
Co2 N22 C12 C62 176.3(9) . . . . ?
N22 C12 C22 C32 176.7(10) . . . . ?
C62 C12 C22 C32 -0.2(15) . . . . ?
C12 C22 C32 C42 -1.0(15) . . . . ?
C22 C32 C42 C52 1.1(15) . . . . ?
C32 C42 C52 C62 0.1(14) . . . . ?
C72 N32 C62 C52 178.0(9) . . . . ?
C72 N32 C62 C12 -1.9(14) . . . . ?
C42 C52 C62 N32 178.8(8) . . . . ?
C42 C52 C62 C12 -1.3(14) . . . . ?
N22 C12 C62 N32 4.2(15) . . . . ?
C22 C12 C62 N32 -178.8(9) . . . . ?
N22 C12 C62 C52 -175.7(9) . . . . ?
C22 C12 C62 C52 1.3(14) . . . . ?
C62 N32 C72 C152 -0.4(16) . . . . ?
C62 N32 C72 C82 -178.6(11) . . . . ?
N32 C72 C82 C92 -7(2) . . . . ?
C152 C72 C82 C92 174.6(15) . . . . ?
N32 C72 C82 C132 177.0(13) . . . . ?
C152 C72 C82 C132 -1.4(15) . . . . ?
C132 C82 C92 C102 -6(2) . . . . ?
C72 C82 C92 C102 178.7(13) . . . . ?
C82 C92 C102 C112 5(2) . . . . ?
C92 C102 C112 C122 -4(2) . . . . ?
C102 C112 C122 C132 4(2) . . . . ?
C112 C122 C132 C82 -4(2) . . . . ?
C112 C122 C132 C142 175.2(15) . . . . ?
C92 C82 C132 C122 6(2) . . . . ?
C72 C82 C132 C122 -178.0(14) . . . . ?
C92 C82 C132 C142 -174.1(12) . . . . ?
C72 C82 C132 C142 2.4(15) . . . . ?
O12 N12 C142 C152 -166.1(12) . . . . ?
Co2 N12 C142 C152 2.3(15) . . . . ?
O12 N12 C142 C132 8(2) . . . . ?
Co2 N12 C142 C132 176.0(14) . . . . ?
C122 C132 C142 N12 4(3) . . . . ?
C82 C132 C142 N12 -176.5(14) . . . . ?
C122 C132 C142 C152 177.9(17) . . . . ?
C82 C132 C142 C152 -2.5(16) . . . . ?
C12 N22 C152 C72 2(2) . . . . ?
Co2 N22 C152 C72 -178.3(15) . . . . ?
C12 N22 C152 C142 -179.2(14) . . . . ?
Co2 N22 C152 C142 1(2) . . . . ?
N32 C72 C152 N22 0(3) . . . . ?
C82 C72 C152 N22 179.0(16) . . . . ?
N32 C72 C152 C142 -178.7(11) . . . . ?
C82 C72 C152 C142 -0.2(17) . . . . ?
N12 C142 C152 N22 -2(2) . . . . ?
C132 C142 C152 N22 -177.6(17) . . . . ?
N12 C142 C152 C72 177.0(12) . . . . ?
C132 C142 C152 C72 1.6(17) . . . . ?
O1A Co1 O1D N1D -142.3(10) . . . . ?
O12 Co1 O1D N1D -65.8(18) . . . . ?
N1A Co1 O1D N1D -58.0(10) . . . . ?
O1 Co1 O1D N1D 34.2(10) . . . . ?
N11 Co1 O1D N1D 132(3) . . . . ?
N21 Co1 O1D N1D 127.7(10) . . . . ?
Co1 O1D N1D C14D 174.5(10) . . . . ?
Co1 O1D N1D Co2 -30.9(14) . . . . ?
O2 Co2 N1D C14D -100.6(11) . . . . ?
O1 Co2 N1D C14D 164.7(11) . . . . ?
N13 Co2 N1D C14D -103(2) . . . . ?
N12 Co2 N1D C14D 85.3(18) . . . . ?
N23 Co2 N1D C14D 74.3(11) . . . . ?
N1T Co2 N1D C14D -108(5) . . . . ?
N22 Co2 N1D C14D -5.9(10) . . . . ?
N2D Co2 N1D C14D -1.1(11) . . . . ?
N2T Co2 N1D C14D 71.6(11) . . . . ?
O2 Co2 N1D O1D 104.5(10) . . . . ?
O1 Co2 N1D O1D 9.8(10) . . . . ?
N13 Co2 N1D O1D 102(2) . . . . ?
N12 Co2 N1D O1D -70(2) . . . . ?
N23 Co2 N1D O1D -80.5(10) . . . . ?
N1T Co2 N1D O1D 97(5) . . . . ?
N22 Co2 N1D O1D -160.8(11) . . . . ?
N2D Co2 N1D O1D -155.9(12) . . . . ?
N2T Co2 N1D O1D -83.3(11) . . . . ?
O2 Co2 N2D C15D 90.0(16) . . . . ?
O1 Co2 N2D C15D -34(2) . . . . ?
N13 Co2 N2D C15D 171.6(16) . . . . ?
N12 Co2 N2D C15D -5.4(16) . . . . ?
N1D Co2 N2D C15D 1.3(16) . . . . ?
N23 Co2 N2D C15D -110.0(17) . . . . ?
N1T Co2 N2D C15D 176.8(16) . . . . ?
N22 Co2 N2D C15D 116(5) . . . . ?
N2T Co2 N2D C15D -113.1(16) . . . . ?
O2 Co2 N2D C1D -88(2) . . . . ?
O1 Co2 N2D C1D 148.0(14) . . . . ?
N13 Co2 N2D C1D -7(2) . . . . ?
N12 Co2 N2D C1D 176(2) . . . . ?
N1D Co2 N2D C1D -177(2) . . . . ?
N23 Co2 N2D C1D 72(2) . . . . ?
N1T Co2 N2D C1D -2(2) . . . . ?
N22 Co2 N2D C1D -62(3) . . . . ?
N2T Co2 N2D C1D 68(2) . . . . ?
C15D N2D C1D C2D -177(2) . . . . ?
Co2 N2D C1D C2D 1(3) . . . . ?
C15D N2D C1D C6D 5(3) . . . . ?
Co2 N2D C1D C6D -176.4(14) . . . . ?
N2D C1D C2D C3D -179.5(16) . . . . ?
C6D C1D C2D C3D -2(2) . . . . ?
C1D C2D C3D C4D 2(2) . . . . ?
C2D C3D C4D C5D -1(2) . . . . ?
C3D C4D C5D C6D 1(2) . . . . ?
C7D N3D C6D C5D 178.7(14) . . . . ?
C7D N3D C6D C1D -1(2) . . . . ?
C4D C5D C6D N3D 179.3(14) . . . . ?
C4D C5D C6D C1D -1(2) . . . . ?
N2D C1D C6D N3D -1(2) . . . . ?
C2D C1D C6D N3D -178.7(15) . . . . ?
N2D C1D C6D C5D 178.8(15) . . . . ?
C2D C1D C6D C5D 1(2) . . . . ?
C6D N3D C7D C15D 0(3) . . . . ?
C6D N3D C7D C8D 179.1(18) . . . . ?
N3D C7D C8D C9D 0(4) . . . . ?
C15D C7D C8D C9D 179(2) . . . . ?
N3D C7D C8D C13D 178(2) . . . . ?
C15D C7D C8D C13D -3(2) . . . . ?
C13D C8D C9D C10D 2(3) . . . . ?
C7D C8D C9D C10D 179(2) . . . . ?
C8D C9D C10D C11D -3(3) . . . . ?
C9D C10D C11D C12D 6(3) . . . . ?
C10D C11D C12D C13D -8(3) . . . . ?
C11D C12D C13D C8D 7(3) . . . . ?
C11D C12D C13D C14D -180(2) . . . . ?
C9D C8D C13D C12D -4(3) . . . . ?
C7D C8D C13D C12D 178(2) . . . . ?
C9D C8D C13D C14D -178.9(19) . . . . ?
C7D C8D C13D C14D 3(2) . . . . ?
O1D N1D C14D C15D 156.5(18) . . . . ?
Co2 N1D C14D C15D 1(2) . . . . ?
O1D N1D C14D C13D -17(3) . . . . ?
Co2 N1D C14D C13D -172.8(18) . . . . ?
C12D C13D C14D N1D -2(4) . . . . ?
C8D C13D C14D N1D 171.9(19) . . . . ?
C12D C13D C14D C15D -176(2) . . . . ?
C8D C13D C14D C15D -2(2) . . . . ?
C1D N2D C15D C7D -7(3) . . . . ?
Co2 N2D C15D C7D 174(2) . . . . ?
C1D N2D C15D C14D 177(2) . . . . ?
Co2 N2D C15D C14D -2(3) . . . . ?
N3D C7D C15D N2D 5(4) . . . . ?
C8D C7D C15D N2D -174(2) . . . . ?
N3D C7D C15D C14D -178.7(17) . . . . ?
C8D C7D C15D C14D 2(2) . . . . ?
N1D C14D C15D N2D 1(3) . . . . ?
C13D C14D C15D N2D 176(2) . . . . ?
N1D C14D C15D C7D -175.2(17) . . . . ?
C13D C14D C15D C7D 0(2) . . . . ?
O1B Co3 O13 N13 -156.2(8) . . . . ?
O2 Co3 O13 N13 20.8(8) . . . . ?
N1B Co3 O13 N13 -71.3(8) . . . . ?
N14 Co3 O13 N13 180(100) . . . . ?
N24 Co3 O13 N13 114.5(8) . . . . ?
O1T Co3 O13 N13 -118(5) . . . . ?
Co3 O13 N13 C143 169.3(10) . . . . ?
Co3 O13 N13 Co2 -11.9(13) . . . . ?
O2 Co2 N13 C143 174.3(10) . . . . ?
O1 Co2 N13 C143 -92.2(10) . . . . ?
N12 Co2 N13 C143 -167(6) . . . . ?
N1D Co2 N13 C143 176.4(17) . . . . ?
N23 Co2 N13 C143 -0.7(10) . . . . ?
N1T Co2 N13 C143 -8(6) . . . . ?
N22 Co2 N13 C143 81.7(10) . . . . ?
N2D Co2 N13 C143 77.2(11) . . . . ?
N2T Co2 N13 C143 1.9(10) . . . . ?
O2 Co2 N13 O13 -4.5(10) . . . . ?
O1 Co2 N13 O13 89.0(10) . . . . ?
N12 Co2 N13 O13 14(7) . . . . ?
N1D Co2 N13 O13 -2(3) . . . . ?
N23 Co2 N13 O13 -179.5(11) . . . . ?
N1T Co2 N13 O13 173(8) . . . . ?
N22 Co2 N13 O13 -97.1(11) . . . . ?
N2D Co2 N13 O13 -101.6(11) . . . . ?
N2T Co2 N13 O13 -176.9(12) . . . . ?
O2 Co2 N23 C153 -14.1(17) . . . . ?
O1 Co2 N23 C153 97.9(9) . . . . ?
N13 Co2 N23 C153 0.5(9) . . . . ?
N12 Co2 N23 C153 179.8(8) . . . . ?
N1D Co2 N23 C153 -179.0(8) . . . . ?
N1T Co2 N23 C153 1.2(9) . . . . ?
N22 Co2 N23 C153 -102.9(9) . . . . ?
N2D Co2 N23 C153 -106.7(9) . . . . ?
N2T Co2 N23 C153 -46(8) . . . . ?
O2 Co2 N23 C13 171.3(9) . . . . ?
O1 Co2 N23 C13 -76.7(15) . . . . ?
N13 Co2 N23 C13 -174.0(16) . . . . ?
N12 Co2 N23 C13 5.2(16) . . . . ?
N1D Co2 N23 C13 6.5(16) . . . . ?
N1T Co2 N23 C13 -173.3(16) . . . . ?
N22 Co2 N23 C13 82.6(15) . . . . ?
N2D Co2 N23 C13 78.7(15) . . . . ?
N2T Co2 N23 C13 140(10) . . . . ?
C153 N23 C13 C23 -175.6(11) . . . . ?
Co2 N23 C13 C23 -1(2) . . . . ?
C153 N23 C13 C63 2.8(17) . . . . ?
Co2 N23 C13 C63 177.0(10) . . . . ?
N23 C13 C23 C33 178.9(12) . . . . ?
C63 C13 C23 C33 0.5(17) . . . . ?
C13 C23 C33 C43 1.8(18) . . . . ?
C23 C33 C43 C53 -4.3(18) . . . . ?
C33 C43 C53 C63 4.5(17) . . . . ?
C73 N33 C63 C53 176.8(10) . . . . ?
C73 N33 C63 C13 0.4(15) . . . . ?
C43 C53 C63 N33 -178.8(10) . . . . ?
C43 C53 C63 C13 -2.2(16) . . . . ?
N23 C13 C63 N33 -2.3(17) . . . . ?
C23 C13 C63 N33 176.1(10) . . . . ?
N23 C13 C63 C53 -178.7(11) . . . . ?
C23 C13 C63 C53 -0.3(16) . . . . ?
C63 N33 C73 C153 0.7(15) . . . . ?
C63 N33 C73 C83 -179.8(10) . . . . ?
N33 C73 C83 C93 -2(2) . . . . ?
C153 C73 C83 C93 177.2(12) . . . . ?
N33 C73 C83 C133 179.0(11) . . . . ?
C153 C73 C83 C133 -1.5(13) . . . . ?
C133 C83 C93 C103 -1.9(17) . . . . ?
C73 C83 C93 C103 179.5(11) . . . . ?
C83 C93 C103 C113 3.4(18) . . . . ?
C93 C103 C113 C123 -3(2) . . . . ?
C103 C113 C123 C133 0(2) . . . . ?
C113 C123 C133 C83 1(2) . . . . ?
C113 C123 C133 C143 179.3(14) . . . . ?
C93 C83 C133 C123 -0.5(18) . . . . ?
C73 C83 C133 C123 178.4(12) . . . . ?
C93 C83 C133 C143 -178.8(11) . . . . ?
C73 C83 C133 C143 0.1(13) . . . . ?
O13 N13 C143 C153 179.7(11) . . . . ?
Co2 N13 C143 C153 0.7(15) . . . . ?
O13 N13 C143 C133 0(2) . . . . ?
Co2 N13 C143 C133 -178.9(14) . . . . ?
C123 C133 C143 N13 3(3) . . . . ?
C83 C133 C143 N13 -179.0(16) . . . . ?
C123 C133 C143 C153 -176.7(15) . . . . ?
C83 C133 C143 C153 1.4(14) . . . . ?
C13 N23 C153 C73 -1.9(19) . . . . ?
Co2 N23 C153 C73 -178.3(11) . . . . ?
C13 N23 C153 C143 176.0(13) . . . . ?
Co2 N23 C153 C143 -0.3(16) . . . . ?
N33 C73 C153 N23 0(2) . . . . ?
C83 C73 C153 N23 -179.4(12) . . . . ?
N33 C73 C153 C143 -178.1(11) . . . . ?
C83 C73 C153 C143 2.3(14) . . . . ?
N13 C143 C153 N23 0(2) . . . . ?
C133 C143 C153 N23 179.5(13) . . . . ?
N13 C143 C153 C73 178.0(11) . . . . ?
C133 C143 C153 C73 -2.3(15) . . . . ?
O13 Co3 O1T N1T 56(5) . . . . ?
O1B Co3 O1T N1T -162.0(9) . . . . ?
O2 Co3 O1T N1T 15.1(9) . . . . ?
N1B Co3 O1T N1T -76.9(9) . . . . ?
N14 Co3 O1T N1T -134(3) . . . . ?
N24 Co3 O1T N1T 109.4(9) . . . . ?
Co3 O1T N1T C14T 179.6(12) . . . . ?
Co3 O1T N1T Co2 -4.4(14) . . . . ?
O2 Co2 N1T C14T 167.9(12) . . . . ?
O1 Co2 N1T C14T -97.9(12) . . . . ?
N13 Co2 N1T C14T 165(8) . . . . ?
N12 Co2 N1T C14T -44(9) . . . . ?
N1D Co2 N1T C14T 175(4) . . . . ?
N23 Co2 N1T C14T -7.0(12) . . . . ?
N22 Co2 N1T C14T 74.2(13) . . . . ?
N2D Co2 N1T C14T 69.5(13) . . . . ?
N2T Co2 N1T C14T -4.3(12) . . . . ?
O2 Co2 N1T O1T -8.0(11) . . . . ?
O1 Co2 N1T O1T 86.1(11) . . . . ?
N13 Co2 N1T O1T -11(6) . . . . ?
N12 Co2 N1T O1T 140(8) . . . . ?
N1D Co2 N1T O1T -1(6) . . . . ?
N23 Co2 N1T O1T 177.1(12) . . . . ?
N22 Co2 N1T O1T -101.8(11) . . . . ?
N2D Co2 N1T O1T -106.4(12) . . . . ?
N2T Co2 N1T O1T 179.8(12) . . . . ?
O2 Co2 N2T C15T -16.8(18) . . . . ?
O1 Co2 N2T C15T 99.5(11) . . . . ?
N13 Co2 N2T C15T 2.7(11) . . . . ?
N12 Co2 N2T C15T -177.9(10) . . . . ?
N1D Co2 N2T C15T -176.3(10) . . . . ?
N23 Co2 N2T C15T 136(9) . . . . ?
N1T Co2 N2T C15T 3.6(11) . . . . ?
N22 Co2 N2T C15T -101.5(11) . . . . ?
N2D Co2 N2T C15T -105.5(11) . . . . ?
O2 Co2 N2T C1T 155.8(11) . . . . ?
O1 Co2 N2T C1T -88.0(16) . . . . ?
N13 Co2 N2T C1T 175.3(17) . . . . ?
N12 Co2 N2T C1T -5.4(17) . . . . ?
N1D Co2 N2T C1T -3.8(17) . . . . ?
N23 Co2 N2T C1T -51(8) . . . . ?
N1T Co2 N2T C1T 176.2(17) . . . . ?
N22 Co2 N2T C1T 71.1(16) . . . . ?
N2D Co2 N2T C1T 67.0(16) . . . . ?
C15T N2T C1T C2T -179.1(14) . . . . ?
Co2 N2T C1T C2T 9(2) . . . . ?
C15T N2T C1T C6T -1(2) . . . . ?
Co2 N2T C1T C6T -172.8(11) . . . . ?
N2T C1T C2T C3T 175.4(14) . . . . ?
C6T C1T C2T C3T -3(2) . . . . ?
C1T C2T C3T C4T 4(2) . . . . ?
C2T C3T C4T C5T -4(2) . . . . ?
C3T C4T C5T C6T 4(2) . . . . ?
C7T N3T C6T C5T 177.4(13) . . . . ?
C7T N3T C6T C1T 0.8(19) . . . . ?
C4T C5T C6T N3T -179.8(13) . . . . ?
C4T C5T C6T C1T -3(2) . . . . ?
N2T C1T C6T N3T 1(2) . . . . ?
C2T C1T C6T N3T 179.2(13) . . . . ?
N2T C1T C6T C5T -175.9(14) . . . . ?
C2T C1T C6T C5T 3(2) . . . . ?
C6T N3T C7T C15T -2.4(19) . . . . ?
C6T N3T C7T C8T -178.8(13) . . . . ?
N3T C7T C8T C9T -1(3) . . . . ?
C15T C7T C8T C9T -177.8(14) . . . . ?
N3T C7T C8T C13T 179.2(14) . . . . ?
C15T C7T C8T C13T 2.4(16) . . . . ?
C13T C8T C9T C10T -2(2) . . . . ?
C7T C8T C9T C10T 178.3(13) . . . . ?
C8T C9T C10T C11T 2(2) . . . . ?
C9T C10T C11T C12T -1(2) . . . . ?
C10T C11T C12T C13T 1(3) . . . . ?
C11T C12T C13T C8T -1(3) . . . . ?
C11T C12T C13T C14T -178.0(17) . . . . ?
C9T C8T C13T C12T 2(2) . . . . ?
C7T C8T C13T C12T -178.6(15) . . . . ?
C9T C8T C13T C14T 179.3(13) . . . . ?
C7T C8T C13T C14T -0.9(16) . . . . ?
O1T N1T C14T C15T -179.6(13) . . . . ?
Co2 N1T C14T C15T 4(2) . . . . ?
O1T N1T C14T C13T 0(3) . . . . ?
Co2 N1T C14T C13T -175.7(17) . . . . ?
C12T C13T C14T N1T -4(3) . . . . ?
C8T C13T C14T N1T 179.1(19) . . . . ?
C12T C13T C14T C15T 176.5(18) . . . . ?
C8T C13T C14T C15T -0.9(18) . . . . ?
C1T N2T C15T C7T -1(2) . . . . ?
Co2 N2T C15T C7T 173.6(13) . . . . ?
C1T N2T C15T C14T -177.7(16) . . . . ?
Co2 N2T C15T C14T -3(2) . . . . ?
N3T C7T C15T N2T 3(2) . . . . ?
C8T C7T C15T N2T 179.8(15) . . . . ?
N3T C7T C15T C14T 179.9(13) . . . . ?
C8T C7T C15T C14T -2.9(17) . . . . ?
N1T C14T C15T N2T 0(3) . . . . ?
C13T C14T C15T N2T 179.6(16) . . . . ?
N1T C14T C15T C7T -177.6(14) . . . . ?
C13T C14T C15T C7T 2.4(18) . . . . ?
O13 Co3 N14 O14 111(16) . . . . ?
O1B Co3 N14 O14 87.2(4) . . . . ?
O2 Co3 N14 O14 -89.8(4) . . . . ?
N1B Co3 N14 O14 2.3(4) . . . . ?
N24 Co3 N14 O14 176.5(4) . . . . ?
O1T Co3 N14 O14 60(3) . . . . ?
O13 Co3 N14 C144 -70(16) . . . . ?
O1B Co3 N14 C144 -94.3(3) . . . . ?
O2 Co3 N14 C144 88.7(3) . . . . ?
N1B Co3 N14 C144 -179.2(3) . . . . ?
N24 Co3 N14 C144 -4.9(3) . . . . ?
O1T Co3 N14 C144 -122(3) . . . . ?
O13 Co3 N24 C154 -177.3(4) . . . . ?
O1B Co3 N24 C154 95.6(3) . . . . ?
O2 Co3 N24 C154 -85.5(3) . . . . ?
N1B Co3 N24 C154 43.3(11) . . . . ?
N14 Co3 N24 C154 3.7(3) . . . . ?
O1T Co3 N24 C154 178.8(3) . . . . ?
O13 Co3 N24 C14 4.1(5) . . . . ?
O1B Co3 N24 C14 -82.9(5) . . . . ?
O2 Co3 N24 C14 95.9(5) . . . . ?
N1B Co3 N24 C14 -135.2(9) . . . . ?
N14 Co3 N24 C14 -174.8(5) . . . . ?
O1T Co3 N24 C14 0.3(5) . . . . ?
C154 N24 C14 C24 -175.6(5) . . . . ?
Co3 N24 C14 C24 2.9(8) . . . . ?
C154 N24 C14 C64 2.4(6) . . . . ?
Co3 N24 C14 C64 -179.1(4) . . . . ?
N24 C14 C24 C34 -179.1(5) . . . . ?
C64 C14 C24 C34 2.9(8) . . . . ?
C14 C24 C34 C44 -0.4(9) . . . . ?
C24 C34 C44 C54 -1.7(9) . . . . ?
C34 C44 C54 C64 1.2(9) . . . . ?
C74 N34 C64 C54 179.9(5) . . . . ?
C74 N34 C64 C14 1.1(7) . . . . ?
C44 C54 C64 N34 -177.6(5) . . . . ?
C44 C54 C64 C14 1.3(8) . . . . ?
N24 C14 C64 N34 -2.5(8) . . . . ?
C24 C14 C64 N34 175.4(5) . . . . ?
N24 C14 C64 C54 178.7(4) . . . . ?
C24 C14 C64 C54 -3.3(7) . . . . ?
C64 N34 C74 C154 0.2(8) . . . . ?
C64 N34 C74 C84 -178.5(6) . . . . ?
N34 C74 C84 C94 -0.8(12) . . . . ?
C154 C74 C84 C94 -179.7(7) . . . . ?
N34 C74 C84 C134 178.3(6) . . . . ?
C154 C74 C84 C134 -0.6(6) . . . . ?
C134 C84 C94 C104 -0.2(12) . . . . ?
C74 C84 C94 C104 178.8(7) . . . . ?
C84 C94 C104 C114 0.3(14) . . . . ?
C94 C104 C114 C124 -0.1(15) . . . . ?
C104 C114 C124 C134 -0.2(12) . . . . ?
C114 C124 C134 C84 0.3(9) . . . . ?
C114 C124 C134 C144 -179.1(6) . . . . ?
C94 C84 C134 C124 -0.1(10) . . . . ?
C74 C84 C134 C124 -179.3(5) . . . . ?
C94 C84 C134 C144 179.4(6) . . . . ?
C74 C84 C134 C144 0.2(6) . . . . ?
O14 N14 C144 C154 -176.6(4) . . . . ?
Co3 N14 C144 C154 4.9(5) . . . . ?
O14 N14 C144 C134 -0.9(9) . . . . ?
Co3 N14 C144 C134 -179.4(5) . . . . ?
C124 C134 C144 N14 3.8(11) . . . . ?
C84 C134 C144 N14 -175.7(6) . . . . ?
C124 C134 C144 C154 179.7(6) . . . . ?
C84 C134 C144 C154 0.2(6) . . . . ?
C14 N24 C154 C74 -1.2(7) . . . . ?
Co3 N24 C154 C74 179.8(4) . . . . ?
C14 N24 C154 C144 176.7(4) . . . . ?
Co3 N24 C154 C144 -2.3(5) . . . . ?
N34 C74 C154 N24 -0.1(8) . . . . ?
C84 C74 C154 N24 178.9(5) . . . . ?
N34 C74 C154 C144 -178.3(5) . . . . ?
C84 C74 C154 C144 0.8(6) . . . . ?
N14 C144 C154 N24 -1.7(7) . . . . ?
C134 C144 C154 N24 -178.8(4) . . . . ?
N14 C144 C154 C74 176.5(4) . . . . ?
C134 C144 C154 C74 -0.6(5) . . . . ?
O12 Co1 O1A C1A 67.2(4) . . . . ?
N1A Co1 O1A C1A -20.9(3) . . . . ?
O1 Co1 O1A C1A -2(2) . . . . ?
O1D Co1 O1A C1A 75.9(5) . . . . ?
N11 Co1 O1A C1A -109.3(3) . . . . ?
N21 Co1 O1A C1A 165.1(3) . . . . ?
Co1 O1A C1A O2A -164.9(5) . . . . ?
Co1 O1A C1A C2A 17.1(5) . . . . ?
O2A C1A C2A N1A -179.1(5) . . . . ?
O1A C1A C2A N1A -1.1(6) . . . . ?
O2A C1A C2A C3A -60.5(6) . . . . ?
O1A C1A C2A C3A 117.5(5) . . . . ?
O2A C1A C2A C4A 61.6(7) . . . . ?
O1A C1A C2A C4A -120.4(5) . . . . ?
C3A C2A N1A Co1 -132.3(3) . . . . ?
C4A C2A N1A Co1 105.0(4) . . . . ?
C1A C2A N1A Co1 -14.9(4) . . . . ?
O1A Co1 N1A C2A 19.5(3) . . . . ?
O12 Co1 N1A C2A -65.6(3) . . . . ?
O1 Co1 N1A C2A -159.3(3) . . . . ?
O1D Co1 N1A C2A -66.8(4) . . . . ?
N11 Co1 N1A C2A 112.3(3) . . . . ?
N21 Co1 N1A C2A 68.0(12) . . . . ?
O13 Co3 O1B C1B 75.1(4) . . . . ?
O2 Co3 O1B C1B 11(3) . . . . ?
N1B Co3 O1B C1B -17.7(3) . . . . ?
N14 Co3 O1B C1B -105.4(4) . . . . ?
N24 Co3 O1B C1B 169.5(3) . . . . ?
O1T Co3 O1B C1B 72.1(4) . . . . ?
Co3 O1B C1B O2B -169.6(4) . . . . ?
Co3 O1B C1B C2B 11.1(5) . . . . ?
O2B C1B C2B N1B -174.4(4) . . . . ?
O1B C1B C2B N1B 4.9(6) . . . . ?
O2B C1B C2B C3B 64.5(6) . . . . ?
O1B C1B C2B C3B -116.2(5) . . . . ?
O2B C1B C2B C4B -57.1(6) . . . . ?
O1B C1B C2B C4B 122.2(5) . . . . ?
C3B C2B N1B Co3 102.9(4) . . . . ?
C4B C2B N1B Co3 -134.8(4) . . . . ?
C1B C2B N1B Co3 -17.8(5) . . . . ?
O13 Co3 N1B C2B -67.3(4) . . . . ?
O1B Co3 N1B C2B 19.6(3) . . . . ?
O2 Co3 N1B C2B -158.8(3) . . . . ?
N14 Co3 N1B C2B 111.7(3) . . . . ?
N24 Co3 N1B C2B 72.2(11) . . . . ?
O1T Co3 N1B C2B -63.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.852
_refine_diff_density_min         -0.698
_refine_diff_density_rms         0.091


# start Validation Reply Form
_vrf_PLAT201_I                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......         38 Why ? 
RESPONSE: Isotropically refined atoms are related to two disordered ligands
modelled in two positions each, with s.o.f. = 0.610(10)/0.390(10) and 
0.545(15)/0.455(15). 
;
_vrf_PLAT415_I                   
;
PROBLEM: Short Inter D-H..H-X       H1M    ..  H70B    ..       1.30 Ang.  
RESPONSE: This short H...H distance is related to disordered methanol 
molecule. Methyl group of O70M-C70M molecule [s.o.f. = 0.344(8)] is 
involved in H1M...H70B distance.
;
# end Validation Reply Form
_database_code_depnum_ccdc_archive 'CCDC 989907'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_at581a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C160 H102 Co8 N32 O16, 2(Cl O4), 6.8(C H4 O), 7(H2 O),'
_chemical_formula_sum            'C166.80 H143.20 Cl2 Co8 N32 O37.80'
_chemical_formula_weight         3743.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   p-1
_symmetry_space_group_name_Hall  -p1

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

_cell_length_a                   15.597(4)
_cell_length_b                   16.743(5)
_cell_length_c                   18.000(5)
_cell_angle_alpha                98.15(2)
_cell_angle_beta                 109.88(3)
_cell_angle_gamma                105.02(2)
_cell_volume                     4130(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10980
_cell_measurement_theta_min      2.85
_cell_measurement_theta_max      36.81

_exptl_crystal_description       block
_exptl_crystal_colour            'dark brown'
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1921
_exptl_absorpt_coefficient_mu    0.903
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.803
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KM4CCD
_diffrn_measurement_method       /w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            42673
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_sigmaI/netI    0.1512
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.86
_diffrn_reflns_theta_max         36.90
_reflns_number_total             21724
_reflns_number_gt                9693
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,2008'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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)+(0.0700P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         21724
_refine_ls_number_parameters     1159
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1670
_refine_ls_R_factor_gt           0.0698
_refine_ls_wR_factor_ref         0.1787
_refine_ls_wR_factor_gt          0.1564
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.004
_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 0.45647(4) 0.42547(4) 0.53638(4) 0.02483(16) Uani 1 1 d . . .
Co2 Co 0.33267(4) 0.53473(4) 0.49853(4) 0.02823(16) Uani 1 1 d . . .
Co3 Co 0.33613(5) 0.29577(4) 0.60464(4) 0.03258(17) Uani 1 1 d . . .
Co4 Co 0.55438(4) 0.28533(4) 0.58852(4) 0.02761(16) Uani 1 1 d . . .
O11 O 0.4115(2) 0.50038(19) 0.60820(18) 0.0292(7) Uani 1 1 d . . .
N11 N 0.3507(3) 0.4508(2) 0.6383(2) 0.0315(9) Uani 1 1 d . . .
N21 N 0.2043(3) 0.3797(3) 0.7021(3) 0.0409(11) Uani 1 1 d . . .
N31 N 0.2177(3) 0.5093(3) 0.8325(2) 0.0403(10) Uani 1 1 d . . .
C11 C 0.1380(4) 0.3666(4) 0.7382(3) 0.0481(14) Uani 1 1 d . . .
C21 C 0.0651(5) 0.2878(4) 0.7133(5) 0.088(3) Uani 1 1 d . . .
H21 H 0.0609 0.2436 0.6715 0.106 Uiso 1 1 calc R . .
C31 C 0.0003(6) 0.2738(5) 0.7484(6) 0.143(5) Uani 1 1 d . . .
H31 H -0.0473 0.2190 0.7325 0.172 Uiso 1 1 calc R . .
C41 C 0.0021(5) 0.3402(5) 0.8090(5) 0.094(3) Uani 1 1 d . . .
H41 H -0.0454 0.3299 0.8316 0.113 Uiso 1 1 calc R . .
C51 C 0.0714(4) 0.4175(4) 0.8341(4) 0.0588(17) Uani 1 1 d . . .
H51 H 0.0722 0.4618 0.8740 0.071 Uiso 1 1 calc R . .
C61 C 0.1424(4) 0.4324(3) 0.8012(3) 0.0438(13) Uani 1 1 d . . .
C71 C 0.2809(4) 0.5173(3) 0.7991(3) 0.0368(12) Uani 1 1 d . . .
C81 C 0.3685(4) 0.5899(3) 0.8197(3) 0.0364(12) Uani 1 1 d . . .
C91 C 0.4132(4) 0.6626(3) 0.8847(3) 0.0481(14) Uani 1 1 d . . .
H91 H 0.3841 0.6741 0.9218 0.058 Uiso 1 1 calc R . .
C101 C 0.4999(4) 0.7168(4) 0.8935(3) 0.0516(15) Uani 1 1 d . . .
H101 H 0.5323 0.7664 0.9378 0.062 Uiso 1 1 calc R . .
C111 C 0.5426(4) 0.7000(3) 0.8370(3) 0.0465(14) Uani 1 1 d . . .
H111 H 0.6036 0.7382 0.8450 0.056 Uiso 1 1 calc R . .
C121 C 0.4978(4) 0.6304(3) 0.7721(3) 0.0387(12) Uani 1 1 d . . .
H121 H 0.5260 0.6206 0.7340 0.046 Uiso 1 1 calc R . .
C131 C 0.4094(4) 0.5739(3) 0.7629(3) 0.0336(11) Uani 1 1 d . . .
C141 C 0.3500(3) 0.4904(3) 0.7044(3) 0.0345(12) Uani 1 1 d . . .
C151 C 0.2728(3) 0.4540(3) 0.7327(3) 0.0335(11) Uani 1 1 d . . .
O12 O 0.4866(2) 0.3618(2) 0.63389(19) 0.0331(8) Uani 1 1 d . . .
N12 N 0.5486(3) 0.4242(3) 0.7042(3) 0.0370(10) Uani 1 1 d . . .
N22 N 0.3761(3) 0.2941(2) 0.7282(2) 0.0354(10) Uani 1 1 d . . .
N32 N 0.4201(3) 0.3326(3) 0.8999(3) 0.0469(12) Uani 1 1 d . . .
C12 C 0.3212(4) 0.2431(3) 0.7593(3) 0.0404(13) Uani 1 1 d . . .
C22 C 0.2458(4) 0.1686(3) 0.7091(4) 0.0519(15) Uani 1 1 d . . .
H22 H 0.2336 0.1520 0.6528 0.062 Uiso 1 1 calc R . .
C32 C 0.1897(5) 0.1196(4) 0.7409(4) 0.0667(19) Uani 1 1 d . . .
H32 H 0.1360 0.0712 0.7056 0.080 Uiso 1 1 calc R . .
C42 C 0.2100(5) 0.1396(4) 0.8243(4) 0.074(2) Uani 1 1 d . . .
H42 H 0.1726 0.1031 0.8460 0.088 Uiso 1 1 calc R . .
C52 C 0.2838(5) 0.2117(4) 0.8748(4) 0.071(2) Uani 1 1 d . . .
H52 H 0.2947 0.2261 0.9310 0.085 Uiso 1 1 calc R . .
C62 C 0.3429(4) 0.2643(4) 0.8468(3) 0.0495(15) Uani 1 1 d . . .
C72 C 0.4737(4) 0.3775(3) 0.8674(3) 0.0399(13) Uani 1 1 d . . .
C82 C 0.5582(4) 0.4517(3) 0.9070(3) 0.0384(12) Uani 1 1 d . . .
C92 C 0.6069(4) 0.4969(4) 0.9878(3) 0.0484(14) Uani 1 1 d . . .
H92 H 0.5856 0.4796 1.0283 0.058 Uiso 1 1 calc R . .
C102 C 0.6885(4) 0.5692(4) 1.0088(4) 0.0514(15) Uani 1 1 d . . .
H102 H 0.7225 0.6014 1.0640 0.062 Uiso 1 1 calc R . .
C112 C 0.7200(4) 0.5939(4) 0.9497(4) 0.0521(15) Uani 1 1 d . . .
H112 H 0.7759 0.6425 0.9651 0.063 Uiso 1 1 calc R . .
C122 C 0.6718(4) 0.5494(3) 0.8693(3) 0.0440(13) Uani 1 1 d . . .
H122 H 0.6937 0.5673 0.8292 0.053 Uiso 1 1 calc R . .
C132 C 0.5918(4) 0.4788(3) 0.8474(3) 0.0384(13) Uani 1 1 d . . .
C142 C 0.5278(4) 0.4194(3) 0.7685(3) 0.0359(12) Uani 1 1 d . . .
C152 C 0.4518(4) 0.3574(3) 0.7806(3) 0.0350(12) Uani 1 1 d . . .
O13 O 0.7420(2) 0.43586(19) 0.60146(18) 0.0300(7) Uani 1 1 d . . .
N13 N 0.6960(3) 0.3826(2) 0.6346(2) 0.0281(9) Uani 1 1 d . . .
N23 N 0.6151(3) 0.2697(2) 0.7145(2) 0.0285(9) Uani 1 1 d . . .
N33 N 0.7167(3) 0.3290(3) 0.8890(2) 0.0353(10) Uani 1 1 d . . .
C13 C 0.5830(3) 0.2265(3) 0.7654(3) 0.0295(11) Uani 1 1 d . . .
C23 C 0.5013(3) 0.1543(3) 0.7334(3) 0.0356(12) Uani 1 1 d . . .
H23 H 0.4665 0.1338 0.6760 0.043 Uiso 1 1 calc R . .
C33 C 0.4706(4) 0.1125(3) 0.7848(3) 0.0424(13) Uani 1 1 d . . .
H33 H 0.4150 0.0627 0.7626 0.051 Uiso 1 1 calc R . .
C43 C 0.5204(4) 0.1426(4) 0.8693(4) 0.0504(15) Uani 1 1 d . . .
H43 H 0.4977 0.1130 0.9038 0.060 Uiso 1 1 calc R . .
C53 C 0.5996(4) 0.2126(3) 0.9030(3) 0.0437(13) Uani 1 1 d . . .
H53 H 0.6320 0.2323 0.9607 0.052 Uiso 1 1 calc R . .
C63 C 0.6351(4) 0.2573(3) 0.8520(3) 0.0357(12) Uani 1 1 d . . .
C73 C 0.7454(3) 0.3656(3) 0.8383(3) 0.0319(11) Uani 1 1 d . . .
C83 C 0.8248(3) 0.4444(3) 0.8537(3) 0.0331(11) Uani 1 1 d . . .
C93 C 0.8921(4) 0.5010(3) 0.9255(3) 0.0416(13) Uani 1 1 d . . .
H93 H 0.8952 0.4897 0.9764 0.050 Uiso 1 1 calc R . .
C103 C 0.9551(4) 0.5744(4) 0.9230(3) 0.0487(15) Uani 1 1 d . . .
H103 H 1.0025 0.6134 0.9725 0.058 Uiso 1 1 calc R . .
C113 C 0.9500(4) 0.5922(3) 0.8482(4) 0.0476(14) Uani 1 1 d . . .
H113 H 0.9939 0.6432 0.8476 0.057 Uiso 1 1 calc R . .
C123 C 0.8822(3) 0.5367(3) 0.7757(3) 0.0380(12) Uani 1 1 d . . .
H123 H 0.8776 0.5496 0.7250 0.046 Uiso 1 1 calc R . .
C133 C 0.8207(3) 0.4617(3) 0.7780(3) 0.0322(11) Uani 1 1 d . . .
C143 C 0.7382(3) 0.3945(3) 0.7126(3) 0.0316(11) Uani 1 1 d . . .
C153 C 0.6935(3) 0.3360(3) 0.7511(3) 0.0274(10) Uani 1 1 d . . .
O14 O 0.5101(2) 0.6747(2) 0.5183(2) 0.0392(8) Uani 1 1 d . . .
N14 N 0.4416(3) 0.6508(3) 0.5448(3) 0.0416(11) Uani 1 1 d . . .
N24 N 0.2839(3) 0.6081(3) 0.5860(2) 0.0377(10) Uani 1 1 d . . .
N34 N 0.2983(3) 0.7402(3) 0.7171(3) 0.0470(12) Uani 1 1 d . . .
C14 C 0.2109(4) 0.5996(4) 0.6152(3) 0.0426(13) Uani 1 1 d . . .
C24 C 0.1299(4) 0.5247(4) 0.5818(3) 0.0489(14) Uani 1 1 d . . .
H24 H 0.1235 0.4820 0.5376 0.059 Uiso 1 1 calc R . .
C34 C 0.0600(4) 0.5136(4) 0.6130(4) 0.0604(17) Uani 1 1 d . . .
H34 H 0.0054 0.4628 0.5907 0.072 Uiso 1 1 calc R . .
C44 C 0.0686(5) 0.5760(4) 0.6772(4) 0.0633(18) Uani 1 1 d . . .
H44 H 0.0202 0.5670 0.6989 0.076 Uiso 1 1 calc R . .
C54 C 0.1464(4) 0.6512(4) 0.7103(4) 0.0546(16) Uani 1 1 d . . .
H54 H 0.1503 0.6936 0.7536 0.066 Uiso 1 1 calc R . .
C64 C 0.2185(4) 0.6649(4) 0.6807(3) 0.0452(14) Uani 1 1 d . . .
C74 C 0.3652(4) 0.7462(3) 0.6881(3) 0.0415(13) Uani 1 1 d . . .
C84 C 0.4585(4) 0.8124(3) 0.7135(3) 0.0440(13) Uani 1 1 d . . .
C94 C 0.5036(5) 0.8859(4) 0.7750(4) 0.0555(16) Uani 1 1 d . . .
H94 H 0.4710 0.9038 0.8067 0.067 Uiso 1 1 calc R . .
C104 C 0.5974(5) 0.9338(4) 0.7903(4) 0.0673(19) Uani 1 1 d . . .
H104 H 0.6284 0.9865 0.8310 0.081 Uiso 1 1 calc R . .
C114 C 0.6466(5) 0.9051(4) 0.7463(4) 0.0645(18) Uani 1 1 d . . .
H114 H 0.7124 0.9367 0.7599 0.077 Uiso 1 1 calc R . .
C124 C 0.6012(4) 0.8309(4) 0.6827(4) 0.0565(16) Uani 1 1 d . . .
H124 H 0.6348 0.8128 0.6521 0.068 Uiso 1 1 calc R . .
C134 C 0.5062(4) 0.7842(3) 0.6650(3) 0.0460(14) Uani 1 1 d . . .
C144 C 0.4428(4) 0.7033(3) 0.6072(3) 0.0399(13) Uani 1 1 d . . .
C154 C 0.3564(4) 0.6780(3) 0.6238(3) 0.0386(12) Uani 1 1 d . . .
O15 O 0.3395(2) 0.18264(19) 0.5568(2) 0.0341(8) Uani 1 1 d . . .
N15 N 0.4201(3) 0.1849(2) 0.5453(2) 0.0300(9) Uani 1 1 d . . .
N25 N 0.5874(3) 0.1869(2) 0.5194(2) 0.0300(9) Uani 1 1 d . . .
N35 N 0.5543(3) 0.0326(2) 0.4027(3) 0.0373(10) Uani 1 1 d . . .
C15 C 0.6601(3) 0.1746(3) 0.4954(3) 0.0325(11) Uani 1 1 d . . .
C25 C 0.7518(3) 0.2383(3) 0.5282(3) 0.0363(12) Uani 1 1 d . . .
H25 H 0.7640 0.2898 0.5659 0.044 Uiso 1 1 calc R . .
C35 C 0.8227(4) 0.2252(3) 0.5050(3) 0.0441(14) Uani 1 1 d . . .
H35 H 0.8839 0.2688 0.5258 0.053 Uiso 1 1 calc R . .
C45 C 0.8073(4) 0.1489(3) 0.4511(4) 0.0491(15) Uani 1 1 d . . .
H45 H 0.8584 0.1408 0.4370 0.059 Uiso 1 1 calc R . .
C55 C 0.7196(4) 0.0864(3) 0.4189(4) 0.0462(14) Uani 1 1 d . . .
H55 H 0.7098 0.0348 0.3824 0.055 Uiso 1 1 calc R . .
C65 C 0.6432(3) 0.0976(3) 0.4393(3) 0.0366(12) Uani 1 1 d . . .
C75 C 0.4875(3) 0.0470(3) 0.4250(3) 0.0328(11) Uani 1 1 d . . .
C85 C 0.3849(3) -0.0032(3) 0.3982(3) 0.0364(12) Uani 1 1 d . . .
C95 C 0.3305(4) -0.0786(3) 0.3394(4) 0.0514(16) Uani 1 1 d . . .
H95 H 0.3589 -0.1078 0.3105 0.062 Uiso 1 1 calc R . .
C105 C 0.2330(4) -0.1108(4) 0.3237(4) 0.0632(19) Uani 1 1 d . . .
H105 H 0.1941 -0.1621 0.2824 0.076 Uiso 1 1 calc R . .
C115 C 0.1905(4) -0.0700(3) 0.3667(4) 0.0550(17) Uani 1 1 d . . .
H115 H 0.1238 -0.0944 0.3555 0.066 Uiso 1 1 calc R . .
C125 C 0.2452(4) 0.0062(3) 0.4259(3) 0.0411(13) Uani 1 1 d . . .
H125 H 0.2166 0.0349 0.4549 0.049 Uiso 1 1 calc R . .
C135 C 0.3431(3) 0.0397(3) 0.4418(3) 0.0325(11) Uani 1 1 d . . .
C145 C 0.4178(3) 0.1196(3) 0.4966(3) 0.0299(11) Uani 1 1 d . . .
C155 C 0.5050(3) 0.1222(3) 0.4839(3) 0.0310(11) Uani 1 1 d . . .
O16 O 0.2204(2) 0.41840(19) 0.46284(19) 0.0302(7) Uani 1 1 d . . .
O26 O 0.3155(2) 0.33792(18) 0.49858(18) 0.0283(7) Uani 1 1 d . . .
N16 N 0.1840(3) 0.2538(2) 0.5517(2) 0.0335(10) Uani 1 1 d . . .
H16A H 0.1603 0.1957 0.5447 0.040 Uiso 1 1 calc R . .
H16B H 0.1614 0.2799 0.5859 0.040 Uiso 1 1 calc R . .
C16 C 0.2340(3) 0.3509(3) 0.4771(3) 0.0280(10) Uani 1 1 d . . .
C26 C 0.1495(3) 0.2748(3) 0.4708(3) 0.0326(11) Uani 1 1 d . . .
C36 C 0.0558(3) 0.2952(3) 0.4537(4) 0.0488(15) Uani 1 1 d . . .
H36A H 0.0046 0.2446 0.4504 0.073 Uiso 1 1 calc R . .
H36B H 0.0371 0.3115 0.4018 0.073 Uiso 1 1 calc R . .
H36C H 0.0654 0.3425 0.4979 0.073 Uiso 1 1 calc R . .
C46 C 0.1374(4) 0.1996(3) 0.4051(3) 0.0408(13) Uani 1 1 d . . .
H46A H 0.1993 0.1894 0.4170 0.061 Uiso 1 1 calc R . .
H46B H 0.1164 0.2127 0.3517 0.061 Uiso 1 1 calc R . .
H46C H 0.0889 0.1484 0.4043 0.061 Uiso 1 1 calc R . .
O1M O 0.4110(2) 0.48394(18) 0.44272(18) 0.0263(7) Uani 1 1 d . . .
C1M C 0.3547(3) 0.4247(3) 0.3633(3) 0.0329(11) Uani 1 1 d . . .
H1M1 H 0.3980 0.4064 0.3413 0.049 Uiso 1 1 calc R . .
H1M2 H 0.3181 0.4527 0.3262 0.049 Uiso 1 1 calc R . .
H1M3 H 0.3099 0.3747 0.3684 0.049 Uiso 1 1 calc R . .
Cl1 Cl 0.0000 0.0000 0.5000 0.0496(5) Uani 1 2 d S . .
O1 O -0.0464(6) 0.0358(5) 0.4341(5) 0.065(2) Uani 0.50 1 d P . .
O2 O 0.1025(5) 0.0444(4) 0.5270(5) 0.053(2) Uani 0.50 1 d P . .
O3 O -0.0265(7) 0.0184(8) 0.5682(6) 0.106(4) Uani 0.50 1 d P . .
O4 O 0.0189(6) 0.0853(5) 0.5285(7) 0.087(3) Uani 0.50 1 d P . .
Cl2 Cl 0.8443(4) 0.1600(3) 0.9004(3) 0.1130(16) Uani 0.50 1 d P A 1
O5 O 0.8607(15) 0.0932(14) 0.8630(13) 0.213(8) Uiso 0.50 1 d P A 1
O6 O 0.7947(9) 0.1168(8) 0.9414(7) 0.108(4) Uiso 0.50 1 d P A 1
O7 O 0.9160(16) 0.2149(14) 0.9715(15) 0.218(8) Uiso 0.50 1 d P A 1
O8 O 0.797(2) 0.2031(18) 0.8398(18) 0.292(13) Uiso 0.50 1 d P A 1
C2M C 0.9888(16) 0.2152(17) 0.9226(17) 0.190(11) Uiso 0.50 1 d PD B 2
H2M1 H 1.0404 0.2621 0.9209 0.285 Uiso 0.50 1 calc PR B 2
H2M2 H 0.9800 0.1623 0.8852 0.285 Uiso 0.50 1 calc PR B 2
H2M3 H 1.0062 0.2078 0.9782 0.285 Uiso 0.50 1 calc PR B 2
O2M O 0.8954(11) 0.2358(9) 0.8966(9) 0.128(4) Uiso 0.50 1 d PD B 2
H2M H 0.8573 0.2042 0.8502 0.191 Uiso 0.50 1 calc PR B 2
C3M C 0.8268(19) 0.1040(12) 1.2503(13) 0.45(2) Uani 1 1 d D . .
H3M1 H 0.8540 0.0859 1.3001 0.681 Uiso 1 1 calc R . .
H3M2 H 0.7842 0.0536 1.2052 0.681 Uiso 1 1 calc R . .
H3M3 H 0.7898 0.1409 1.2592 0.681 Uiso 1 1 calc R . .
O3M O 0.9128(7) 0.1559(6) 1.2279(5) 0.273(8) Uani 1 1 d D . .
H3M H 0.8898 0.1741 1.1869 0.410 Uiso 1 1 calc R . .
C4M C 1.0502(7) 0.0137(7) 1.2283(7) 0.164(5) Uani 1 1 d . . .
H4M1 H 1.1128 0.0457 1.2290 0.245 Uiso 1 1 calc R . .
H4M2 H 1.0400 -0.0477 1.2139 0.245 Uiso 1 1 calc R . .
H4M3 H 1.0494 0.0300 1.2825 0.245 Uiso 1 1 calc R . .
O4M O 0.9769(7) 0.0321(5) 1.1709(5) 0.176(3) Uani 1 1 d . . .
H4M H 0.9696 0.0764 1.1925 0.263 Uiso 1 1 calc R . .
C5M C 0.3514(14) 1.0166(12) 0.9791(12) 0.124(7) Uiso 0.50 1 d P . .
H5M4 H 0.3651 1.0758 0.9743 0.186 Uiso 0.35 1 calc PR C 4
H5M5 H 0.3605 1.0157 1.0355 0.186 Uiso 0.35 1 calc PR C 4
H5M6 H 0.2845 0.9832 0.9425 0.186 Uiso 0.35 1 calc PR C 4
H5M1 H 0.3423 1.0719 0.9920 0.186 Uiso 0.15 1 calc PR C 10
H5M2 H 0.3245 0.9786 1.0082 0.186 Uiso 0.15 1 calc PR C 10
H5M3 H 0.3182 0.9909 0.9201 0.186 Uiso 0.15 1 calc PR C 10
O5M O 0.4147(11) 0.9809(10) 0.9572(10) 0.088(4) Uiso 0.35 1 d P D 4
H5M H 0.3835 0.9434 0.9127 0.132 Uiso 0.35 1 calc PR D 4
O6M O 0.446(2) 1.028(2) 1.0023(19) 0.070(9) Uiso 0.15 1 d P D 10
H6M H 0.4561 0.9818 1.0075 0.105 Uiso 0.15 1 calc PR D 10
C7M C 1.104(2) 0.1901(19) 0.9837(19) 0.165(11) Uiso 0.40 1 d P E 5
H7M1 H 1.1276 0.2159 0.9458 0.248 Uiso 0.40 1 calc PR E 5
H7M2 H 1.0713 0.2250 1.0045 0.248 Uiso 0.40 1 calc PR E 5
H7M3 H 1.0581 0.1324 0.9550 0.248 Uiso 0.40 1 calc PR E 5
O7M O 1.1887(16) 0.1854(14) 1.0549(14) 0.190(9) Uiso 0.40 1 d P E 5
H7M H 1.2178 0.1569 1.0370 0.285 Uiso 0.40 1 calc PR E 5
O1W O 0.6526(7) 0.1620(7) 1.1137(6) 0.090(3) Uani 0.50 1 d P . .
O2W O 0.8975(12) -0.0258(12) 1.0054(8) 0.193(8) Uani 0.50 1 d P . .
O3W O 0.8064(3) 0.3608(3) 1.0629(2) 0.0633(12) Uani 1 1 d . . .
H3W H 0.8037 0.4020 1.0934 0.095 Uiso 1 1 d R . .
H4W H 0.7850 0.3621 1.0136 0.095 Uiso 1 1 d R . .
O4W O 0.8194(4) 0.2132(3) 1.0917(3) 0.1082(19) Uani 1 1 d . . .
H5W H 0.8191 0.2030 1.0445 0.162 Uiso 1 1 d R . .
H6W H 0.7633 0.1957 1.0908 0.162 Uiso 1 1 d R . .
O6W O 0.213(2) 0.261(2) 0.1728(18) 0.092(9) Uiso 0.20 1 d P . .
O5W O 0.1703(15) 0.2280(12) 0.1704(17) 0.144(11) Uani 0.30 1 d P . .


_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 O1M 2.078(3) . ?
Co1 O11 2.086(3) . ?
Co1 O14 2.094(3) 2_666 ?
Co1 O1M 2.098(3) 2_666 ?
Co1 O26 2.115(3) . ?
Co1 O12 2.160(3) . ?
Co1 Co2 2.9713(11) . ?
Co2 O13 1.990(3) 2_666 ?
Co2 N14 2.056(4) . ?
Co2 O1M 2.087(3) . ?
Co2 O16 2.094(3) . ?
Co2 O11 2.185(3) . ?
Co2 N24 2.306(4) . ?
Co3 O15 1.988(3) . ?
Co3 O26 2.081(3) . ?
Co3 N22 2.102(4) . ?
Co3 N16 2.107(4) . ?
Co3 O12 2.158(3) . ?
Co4 O12 2.101(3) . ?
Co4 N15 2.125(4) . ?
Co4 O14 2.134(3) 2_666 ?
Co4 N13 2.174(4) . ?
Co4 N25 2.197(4) . ?
Co4 N23 2.223(4) . ?
O11 N11 1.397(5) . ?
N11 C141 1.282(6) . ?
N21 C151 1.307(6) . ?
N21 C11 1.386(6) . ?
N31 C71 1.307(6) . ?
N31 C61 1.384(6) . ?
C11 C21 1.394(8) . ?
C11 C61 1.435(7) . ?
C21 C31 1.352(9) . ?
C21 H21 0.9500 . ?
C31 C41 1.431(9) . ?
C31 H31 0.9500 . ?
C41 C51 1.351(8) . ?
C41 H41 0.9500 . ?
C51 C61 1.409(7) . ?
C51 H51 0.9500 . ?
C71 C151 1.427(7) . ?
C71 C81 1.466(7) . ?
C81 C91 1.392(7) . ?
C81 C131 1.407(7) . ?
C91 C101 1.362(7) . ?
C91 H91 0.9500 . ?
C101 C111 1.426(8) . ?
C101 H101 0.9500 . ?
C111 C121 1.359(7) . ?
C111 H111 0.9500 . ?
C121 C131 1.396(7) . ?
C121 H121 0.9500 . ?
C131 C141 1.473(7) . ?
C141 C151 1.485(7) . ?
O12 N12 1.377(5) . ?
N12 C142 1.312(6) . ?
N22 C152 1.310(6) . ?
N22 C12 1.364(6) . ?
N32 C72 1.318(7) . ?
N32 C62 1.366(7) . ?
C12 C22 1.397(7) . ?
C12 C62 1.462(7) . ?
C22 C32 1.366(8) . ?
C22 H22 0.9500 . ?
C32 C42 1.395(8) . ?
C32 H32 0.9500 . ?
C42 C52 1.366(8) . ?
C42 H42 0.9500 . ?
C52 C62 1.379(8) . ?
C52 H52 0.9500 . ?
C72 C82 1.432(7) . ?
C72 C152 1.448(7) . ?
C82 C92 1.379(7) . ?
C82 C132 1.423(7) . ?
C92 C102 1.404(8) . ?
C92 H92 0.9500 . ?
C102 C112 1.385(8) . ?
C102 H102 0.9500 . ?
C112 C122 1.370(8) . ?
C112 H112 0.9500 . ?
C122 C132 1.372(7) . ?
C122 H122 0.9500 . ?
C132 C142 1.458(7) . ?
C142 C152 1.460(7) . ?
O13 N13 1.332(4) . ?
O13 Co2 1.990(3) 2_666 ?
N13 C143 1.292(6) . ?
N23 C153 1.304(6) . ?
N23 C13 1.389(6) . ?
N33 C73 1.305(6) . ?
N33 C63 1.382(6) . ?
C13 C23 1.387(6) . ?
C13 C63 1.431(7) . ?
C23 C33 1.373(7) . ?
C23 H23 0.9500 . ?
C33 C43 1.396(7) . ?
C33 H33 0.9500 . ?
C43 C53 1.344(7) . ?
C43 H43 0.9500 . ?
C53 C63 1.425(7) . ?
C53 H53 0.9500 . ?
C73 C153 1.439(6) . ?
C73 C83 1.472(6) . ?
C83 C93 1.373(7) . ?
C83 C133 1.417(7) . ?
C93 C103 1.378(7) . ?
C93 H93 0.9500 . ?
C103 C113 1.399(8) . ?
C103 H103 0.9500 . ?
C113 C123 1.377(7) . ?
C113 H113 0.9500 . ?
C123 C133 1.384(6) . ?
C123 H123 0.9500 . ?
C133 C143 1.467(6) . ?
C143 C153 1.447(6) . ?
O14 N14 1.308(5) . ?
O14 Co1 2.094(3) 2_666 ?
O14 Co4 2.134(3) 2_666 ?
N14 C144 1.316(6) . ?
N24 C154 1.294(6) . ?
N24 C14 1.392(6) . ?
N34 C74 1.305(6) . ?
N34 C64 1.402(7) . ?
C14 C24 1.406(7) . ?
C14 C64 1.441(8) . ?
C24 C34 1.372(8) . ?
C24 H24 0.9500 . ?
C34 C44 1.387(9) . ?
C34 H34 0.9500 . ?
C44 C54 1.385(8) . ?
C44 H44 0.9500 . ?
C54 C64 1.382(8) . ?
C54 H54 0.9500 . ?
C74 C154 1.449(7) . ?
C74 C84 1.458(7) . ?
C84 C94 1.367(7) . ?
C84 C134 1.429(7) . ?
C94 C104 1.384(8) . ?
C94 H94 0.9500 . ?
C104 C114 1.395(9) . ?
C104 H104 0.9500 . ?
C114 C124 1.394(8) . ?
C114 H114 0.9500 . ?
C124 C134 1.384(7) . ?
C124 H124 0.9500 . ?
C134 C144 1.450(7) . ?
C144 C154 1.449(7) . ?
O15 N15 1.334(5) . ?
N15 C145 1.285(6) . ?
N25 C155 1.326(6) . ?
N25 C15 1.393(6) . ?
N35 C75 1.302(6) . ?
N35 C65 1.390(6) . ?
C15 C25 1.409(6) . ?
C15 C65 1.424(7) . ?
C25 C35 1.363(7) . ?
C25 H25 0.9500 . ?
C35 C45 1.401(7) . ?
C35 H35 0.9500 . ?
C45 C55 1.360(7) . ?
C45 H45 0.9500 . ?
C55 C65 1.410(7) . ?
C55 H55 0.9500 . ?
C75 C155 1.424(7) . ?
C75 C85 1.470(6) . ?
C85 C95 1.374(7) . ?
C85 C135 1.411(7) . ?
C95 C105 1.387(7) . ?
C95 H95 0.9500 . ?
C105 C115 1.393(8) . ?
C105 H105 0.9500 . ?
C115 C125 1.386(7) . ?
C115 H115 0.9500 . ?
C125 C135 1.392(6) . ?
C125 H125 0.9500 . ?
C135 C145 1.468(6) . ?
C145 C155 1.445(6) . ?
O16 C16 1.247(5) . ?
O26 C16 1.284(5) . ?
N16 C26 1.498(6) . ?
N16 H16A 0.9200 . ?
N16 H16B 0.9200 . ?
C16 C26 1.536(6) . ?
C26 C46 1.524(7) . ?
C26 C36 1.527(7) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
O1M C1M 1.447(5) . ?
O1M Co1 2.098(3) 2_666 ?
C1M H1M1 0.9800 . ?
C1M H1M2 0.9800 . ?
C1M H1M3 0.9800 . ?
Cl1 O4 1.364(8) 2_556 ?
Cl1 O4 1.364(8) . ?
Cl1 O3 1.442(9) . ?
Cl1 O3 1.442(9) 2_556 ?
Cl1 O2 1.448(7) . ?
Cl1 O2 1.448(7) 2_556 ?
Cl1 O1 1.460(8) . ?
Cl1 O1 1.460(8) 2_556 ?
O1 O4 1.612(13) . ?
O1 O3 1.636(13) 2_556 ?
O1 O2 1.768(11) 2_556 ?
O2 O4 1.628(12) . ?
O2 O3 1.706(13) 2_556 ?
O2 O1 1.768(11) 2_556 ?
O3 O4 1.557(14) . ?
O3 O1 1.636(13) 2_556 ?
O3 O2 1.706(13) 2_556 ?
Cl2 O5 1.35(2) . ?
Cl2 O7 1.38(2) . ?
Cl2 O6 1.384(12) . ?
Cl2 O8 1.48(3) . ?
C2M O2M 1.517(16) . ?
C2M H2M1 0.9800 . ?
C2M H2M2 0.9800 . ?
C2M H2M3 0.9800 . ?
O2M H2M 0.8400 . ?
C3M O3M 1.607(15) . ?
C3M H3M1 0.9800 . ?
C3M H3M2 0.9800 . ?
C3M H3M3 0.9800 . ?
O3M H3M 0.8400 . ?
C4M O4M 1.393(10) . ?
C4M H4M1 0.9800 . ?
C4M H4M2 0.9800 . ?
C4M H4M3 0.9800 . ?
O4M H4M 0.8400 . ?
C5M O6M 1.35(3) . ?
C5M O5M 1.41(2) . ?
C5M H5M4 0.9800 . ?
C5M H5M5 0.9800 . ?
C5M H5M6 0.9800 . ?
C5M H5M1 0.9800 . ?
C5M H5M2 0.9800 . ?
C5M H5M3 0.9800 . ?
O5M H5M 0.8400 . ?
O6M H6M 0.8400 . ?
C7M O7M 1.53(3) . ?
C7M H7M1 0.9800 . ?
C7M H7M2 0.9800 . ?
C7M H7M3 0.9800 . ?
O7M H7M 0.8400 . ?
O3W H3W 0.8391 . ?
O3W H4W 0.8404 . ?
O4W H5W 0.8406 . ?
O4W H6W 0.8421 . ?
O6W O5W 0.73(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1M Co1 O11 90.20(12) . . ?
O1M Co1 O14 103.25(12) . 2_666 ?
O11 Co1 O14 163.90(12) . 2_666 ?
O1M Co1 O1M 80.44(12) . 2_666 ?
O11 Co1 O1M 98.18(12) . 2_666 ?
O14 Co1 O1M 92.83(13) 2_666 2_666 ?
O1M Co1 O26 91.57(12) . . ?
O11 Co1 O26 83.94(12) . . ?
O14 Co1 O26 86.83(13) 2_666 . ?
O1M Co1 O26 171.71(12) 2_666 . ?
O1M Co1 O12 173.10(12) . . ?
O11 Co1 O12 85.54(12) . . ?
O14 Co1 O12 80.20(12) 2_666 . ?
O1M Co1 O12 105.51(12) 2_666 . ?
O26 Co1 O12 82.60(12) . . ?
O1M Co1 Co2 44.60(8) . . ?
O11 Co1 Co2 47.32(9) . . ?
O14 Co1 Co2 142.29(10) 2_666 . ?
O1M Co1 Co2 98.49(9) 2_666 . ?
O26 Co1 Co2 77.00(9) . . ?
O12 Co1 Co2 129.78(9) . . ?
O13 Co2 N14 94.83(15) 2_666 . ?
O13 Co2 O1M 93.35(12) 2_666 . ?
N14 Co2 O1M 90.58(16) . . ?
O13 Co2 O16 88.71(12) 2_666 . ?
N14 Co2 O16 174.16(16) . . ?
O1M Co2 O16 93.86(12) . . ?
O13 Co2 O11 178.64(12) 2_666 . ?
N14 Co2 O11 86.36(14) . . ?
O1M Co2 O11 87.29(12) . . ?
O16 Co2 O11 90.05(12) . . ?
O13 Co2 N24 96.43(14) 2_666 . ?
N14 Co2 N24 78.11(17) . . ?
O1M Co2 N24 165.60(13) . . ?
O16 Co2 N24 96.90(14) . . ?
O11 Co2 N24 83.17(13) . . ?
O13 Co2 Co1 135.76(10) 2_666 . ?
N14 Co2 Co1 97.39(12) . . ?
O1M Co2 Co1 44.37(8) . . ?
O16 Co2 Co1 83.21(9) . . ?
O11 Co2 Co1 44.56(8) . . ?
N24 Co2 Co1 127.67(10) . . ?
O15 Co3 O26 95.03(13) . . ?
O15 Co3 N22 100.87(15) . . ?
O26 Co3 N22 162.20(14) . . ?
O15 Co3 N16 92.03(14) . . ?
O26 Co3 N16 80.52(13) . . ?
N22 Co3 N16 106.66(16) . . ?
O15 Co3 O12 94.43(12) . . ?
O26 Co3 O12 83.45(12) . . ?
N22 Co3 O12 87.36(14) . . ?
N16 Co3 O12 163.18(14) . . ?
O12 Co4 N15 86.20(14) . . ?
O12 Co4 O14 80.66(12) . 2_666 ?
N15 Co4 O14 85.15(14) . 2_666 ?
O12 Co4 N13 96.43(13) . . ?
N15 Co4 N13 176.63(15) . . ?
O14 Co4 N13 97.33(14) 2_666 . ?
O12 Co4 N25 165.44(13) . . ?
N15 Co4 N25 80.59(14) . . ?
O14 Co4 N25 92.07(14) 2_666 . ?
N13 Co4 N25 97.01(14) . . ?
O12 Co4 N23 86.32(13) . . ?
N15 Co4 N23 98.06(14) . . ?
O14 Co4 N23 166.37(13) 2_666 . ?
N13 Co4 N23 80.05(14) . . ?
N25 Co4 N23 101.51(14) . . ?
N11 O11 Co1 111.8(2) . . ?
N11 O11 Co2 113.0(2) . . ?
Co1 O11 Co2 88.12(12) . . ?
C141 N11 O11 114.4(4) . . ?
C151 N21 C11 115.0(4) . . ?
C71 N31 C61 115.2(4) . . ?
N21 C11 C21 119.7(5) . . ?
N21 C11 C61 121.6(5) . . ?
C21 C11 C61 118.7(5) . . ?
C31 C21 C11 120.4(6) . . ?
C31 C21 H21 119.8 . . ?
C11 C21 H21 119.8 . . ?
C21 C31 C41 121.1(6) . . ?
C21 C31 H31 119.4 . . ?
C41 C31 H31 119.4 . . ?
C51 C41 C31 119.9(6) . . ?
C51 C41 H41 120.0 . . ?
C31 C41 H41 120.0 . . ?
C41 C51 C61 120.0(6) . . ?
C41 C51 H51 120.0 . . ?
C61 C51 H51 120.0 . . ?
N31 C61 C51 119.4(5) . . ?
N31 C61 C11 120.9(5) . . ?
C51 C61 C11 119.7(5) . . ?
N31 C71 C151 123.7(5) . . ?
N31 C71 C81 127.9(5) . . ?
C151 C71 C81 108.3(4) . . ?
C91 C81 C131 121.4(5) . . ?
C91 C81 C71 130.3(5) . . ?
C131 C81 C71 108.2(4) . . ?
C101 C91 C81 117.9(5) . . ?
C101 C91 H91 121.0 . . ?
C81 C91 H91 121.0 . . ?
C91 C101 C111 120.8(5) . . ?
C91 C101 H101 119.6 . . ?
C111 C101 H101 119.6 . . ?
C121 C111 C101 121.4(5) . . ?
C121 C111 H111 119.3 . . ?
C101 C111 H111 119.3 . . ?
C111 C121 C131 118.3(5) . . ?
C111 C121 H121 120.8 . . ?
C131 C121 H121 120.8 . . ?
C121 C131 C81 120.0(5) . . ?
C121 C131 C141 130.3(5) . . ?
C81 C131 C141 109.4(4) . . ?
N11 C141 C131 133.8(5) . . ?
N11 C141 C151 120.4(4) . . ?
C131 C141 C151 105.6(4) . . ?
N21 C151 C71 123.4(5) . . ?
N21 C151 C141 128.5(4) . . ?
C71 C151 C141 108.0(4) . . ?
N12 O12 Co4 113.4(3) . . ?
N12 O12 Co3 125.3(3) . . ?
Co4 O12 Co3 113.35(14) . . ?
N12 O12 Co1 106.7(2) . . ?
Co4 O12 Co1 97.23(13) . . ?
Co3 O12 Co1 93.90(13) . . ?
C142 N12 O12 115.4(4) . . ?
C152 N22 C12 117.0(4) . . ?
C152 N22 Co3 116.3(3) . . ?
C12 N22 Co3 125.5(3) . . ?
C72 N32 C62 115.9(5) . . ?
N22 C12 C22 120.9(5) . . ?
N22 C12 C62 120.0(5) . . ?
C22 C12 C62 119.0(5) . . ?
C32 C22 C12 120.1(6) . . ?
C32 C22 H22 120.0 . . ?
C12 C22 H22 120.0 . . ?
C22 C32 C42 121.1(6) . . ?
C22 C32 H32 119.4 . . ?
C42 C32 H32 119.4 . . ?
C52 C42 C32 119.8(6) . . ?
C52 C42 H42 120.1 . . ?
C32 C42 H42 120.1 . . ?
C42 C52 C62 122.1(6) . . ?
C42 C52 H52 119.0 . . ?
C62 C52 H52 119.0 . . ?
N32 C62 C52 120.6(5) . . ?
N32 C62 C12 121.7(5) . . ?
C52 C62 C12 117.7(5) . . ?
N32 C72 C82 128.6(5) . . ?
N32 C72 C152 122.6(5) . . ?
C82 C72 C152 108.7(5) . . ?
C92 C82 C132 119.7(5) . . ?
C92 C82 C72 131.4(5) . . ?
C132 C82 C72 108.9(4) . . ?
C82 C92 C102 118.6(5) . . ?
C82 C92 H92 120.7 . . ?
C102 C92 H92 120.7 . . ?
C112 C102 C92 120.6(5) . . ?
C112 C102 H102 119.7 . . ?
C92 C102 H102 119.7 . . ?
C122 C112 C102 121.1(6) . . ?
C122 C112 H112 119.5 . . ?
C102 C112 H112 119.5 . . ?
C112 C122 C132 119.3(6) . . ?
C112 C122 H122 120.4 . . ?
C132 C122 H122 120.4 . . ?
C122 C132 C82 120.8(5) . . ?
C122 C132 C142 131.5(5) . . ?
C82 C132 C142 107.7(5) . . ?
N12 C142 C132 120.2(5) . . ?
N12 C142 C152 131.7(5) . . ?
C132 C142 C152 107.9(4) . . ?
N22 C152 C72 122.5(5) . . ?
N22 C152 C142 130.8(5) . . ?
C72 C152 C142 106.6(4) . . ?
N13 O13 Co2 120.0(2) . 2_666 ?
C143 N13 O13 115.8(4) . . ?
C143 N13 Co4 110.0(3) . . ?
O13 N13 Co4 133.9(3) . . ?
C153 N23 C13 115.5(4) . . ?
C153 N23 Co4 103.8(3) . . ?
C13 N23 Co4 138.0(3) . . ?
C73 N33 C63 114.5(4) . . ?
C23 C13 N23 120.8(4) . . ?
C23 C13 C63 119.8(4) . . ?
N23 C13 C63 119.4(4) . . ?
C33 C23 C13 120.0(5) . . ?
C33 C23 H23 120.0 . . ?
C13 C23 H23 120.0 . . ?
C23 C33 C43 120.5(5) . . ?
C23 C33 H33 119.7 . . ?
C43 C33 H33 119.7 . . ?
C53 C43 C33 121.5(5) . . ?
C53 C43 H43 119.2 . . ?
C33 C43 H43 119.2 . . ?
C43 C53 C63 119.9(5) . . ?
C43 C53 H53 120.0 . . ?
C63 C53 H53 120.0 . . ?
N33 C63 C53 118.1(5) . . ?
N33 C63 C13 123.6(4) . . ?
C53 C63 C13 118.3(5) . . ?
N33 C73 C153 122.5(4) . . ?
N33 C73 C83 130.6(4) . . ?
C153 C73 C83 106.6(4) . . ?
C93 C83 C133 120.0(5) . . ?
C93 C83 C73 130.9(5) . . ?
C133 C83 C73 109.0(4) . . ?
C83 C93 C103 119.4(5) . . ?
C83 C93 H93 120.3 . . ?
C103 C93 H93 120.3 . . ?
C93 C103 C113 120.7(5) . . ?
C93 C103 H103 119.7 . . ?
C113 C103 H103 119.7 . . ?
C123 C113 C103 120.8(5) . . ?
C123 C113 H113 119.6 . . ?
C103 C113 H113 119.6 . . ?
C113 C123 C133 118.7(5) . . ?
C113 C123 H123 120.7 . . ?
C133 C123 H123 120.7 . . ?
C123 C133 C83 120.5(4) . . ?
C123 C133 C143 131.0(5) . . ?
C83 C133 C143 108.1(4) . . ?
N13 C143 C153 118.0(4) . . ?
N13 C143 C133 134.5(4) . . ?
C153 C143 C133 107.2(4) . . ?
N23 C153 C73 124.4(4) . . ?
N23 C153 C143 126.4(4) . . ?
C73 C153 C143 109.1(4) . . ?
N14 O14 Co1 114.8(3) . 2_666 ?
N14 O14 Co4 104.9(3) . 2_666 ?
Co1 O14 Co4 98.28(14) 2_666 2_666 ?
O14 N14 C144 118.5(4) . . ?
O14 N14 Co2 124.9(3) . . ?
C144 N14 Co2 116.6(4) . . ?
C154 N24 C14 113.6(5) . . ?
C154 N24 Co2 103.8(4) . . ?
C14 N24 Co2 142.3(4) . . ?
C74 N34 C64 115.3(5) . . ?
N24 C14 C24 119.4(5) . . ?
N24 C14 C64 121.0(5) . . ?
C24 C14 C64 119.5(5) . . ?
C34 C24 C14 119.9(6) . . ?
C34 C24 H24 120.1 . . ?
C14 C24 H24 120.1 . . ?
C24 C34 C44 120.3(6) . . ?
C24 C34 H34 119.9 . . ?
C44 C34 H34 119.9 . . ?
C54 C44 C34 121.3(6) . . ?
C54 C44 H44 119.4 . . ?
C34 C44 H44 119.4 . . ?
C64 C54 C44 120.3(6) . . ?
C64 C54 H54 119.9 . . ?
C44 C54 H54 119.9 . . ?
C54 C64 N34 119.3(5) . . ?
C54 C64 C14 118.7(5) . . ?
N34 C64 C14 122.0(5) . . ?
N34 C74 C154 121.1(5) . . ?
N34 C74 C84 130.1(5) . . ?
C154 C74 C84 108.6(5) . . ?
C94 C84 C134 121.5(5) . . ?
C94 C84 C74 131.3(5) . . ?
C134 C84 C74 107.0(5) . . ?
C84 C94 C104 118.9(6) . . ?
C84 C94 H94 120.5 . . ?
C104 C94 H94 120.5 . . ?
C94 C104 C114 120.3(6) . . ?
C94 C104 H104 119.8 . . ?
C114 C104 H104 119.8 . . ?
C124 C114 C104 121.2(6) . . ?
C124 C114 H114 119.4 . . ?
C104 C114 H114 119.4 . . ?
C134 C124 C114 118.8(6) . . ?
C134 C124 H124 120.6 . . ?
C114 C124 H124 120.6 . . ?
C124 C134 C84 119.1(5) . . ?
C124 C134 C144 131.4(6) . . ?
C84 C134 C144 109.3(5) . . ?
N14 C144 C154 114.5(5) . . ?
N14 C144 C134 138.0(5) . . ?
C154 C144 C134 107.5(5) . . ?
N24 C154 C74 126.8(5) . . ?
N24 C154 C144 125.7(5) . . ?
C74 C154 C144 107.4(5) . . ?
N15 O15 Co3 114.8(2) . . ?
C145 N15 O15 117.7(4) . . ?
C145 N15 Co4 112.0(3) . . ?
O15 N15 Co4 130.1(3) . . ?
C155 N25 C15 113.6(4) . . ?
C155 N25 Co4 104.7(3) . . ?
C15 N25 Co4 141.3(3) . . ?
C75 N35 C65 114.5(4) . . ?
N25 C15 C25 119.8(4) . . ?
N25 C15 C65 120.5(4) . . ?
C25 C15 C65 119.7(4) . . ?
C35 C25 C15 119.3(5) . . ?
C35 C25 H25 120.4 . . ?
C15 C25 H25 120.4 . . ?
C25 C35 C45 121.5(5) . . ?
C25 C35 H35 119.3 . . ?
C45 C35 H35 119.3 . . ?
C55 C45 C35 120.3(5) . . ?
C55 C45 H45 119.8 . . ?
C35 C45 H45 119.8 . . ?
C45 C55 C65 120.4(5) . . ?
C45 C55 H55 119.8 . . ?
C65 C55 H55 119.8 . . ?
N35 C65 C55 117.9(5) . . ?
N35 C65 C15 123.3(4) . . ?
C55 C65 C15 118.8(4) . . ?
N35 C75 C155 122.6(4) . . ?
N35 C75 C85 131.0(4) . . ?
C155 C75 C85 106.4(4) . . ?
C95 C85 C135 121.1(4) . . ?
C95 C85 C75 129.8(5) . . ?
C135 C85 C75 109.1(4) . . ?
C85 C95 C105 117.9(5) . . ?
C85 C95 H95 121.0 . . ?
C105 C95 H95 121.0 . . ?
C95 C105 C115 121.9(5) . . ?
C95 C105 H105 119.0 . . ?
C115 C105 H105 119.0 . . ?
C125 C115 C105 120.1(5) . . ?
C125 C115 H115 119.9 . . ?
C105 C115 H115 119.9 . . ?
C115 C125 C135 118.6(5) . . ?
C115 C125 H125 120.7 . . ?
C135 C125 H125 120.7 . . ?
C125 C135 C85 120.3(4) . . ?
C125 C135 C145 131.5(5) . . ?
C85 C135 C145 108.1(4) . . ?
N15 C145 C155 117.7(4) . . ?
N15 C145 C135 135.6(4) . . ?
C155 C145 C135 106.6(4) . . ?
N25 C155 C75 125.5(4) . . ?
N25 C155 C145 124.7(4) . . ?
C75 C155 C145 109.8(4) . . ?
C16 O16 Co2 123.1(3) . . ?
C16 O26 Co3 107.0(3) . . ?
C16 O26 Co1 129.8(3) . . ?
Co3 O26 Co1 97.57(13) . . ?
C26 N16 Co3 110.2(3) . . ?
C26 N16 H16A 109.6 . . ?
Co3 N16 H16A 109.6 . . ?
C26 N16 H16B 109.6 . . ?
Co3 N16 H16B 109.6 . . ?
H16A N16 H16B 108.1 . . ?
O16 C16 O26 125.5(4) . . ?
O16 C16 C26 120.3(4) . . ?
O26 C16 C26 114.2(4) . . ?
N16 C26 C46 108.2(4) . . ?
N16 C26 C36 111.6(4) . . ?
C46 C26 C36 111.6(4) . . ?
N16 C26 C16 104.2(4) . . ?
C46 C26 C16 108.0(4) . . ?
C36 C26 C16 113.0(4) . . ?
C26 C36 H36A 109.5 . . ?
C26 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C26 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C26 C46 H46A 109.5 . . ?
C26 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C26 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C1M O1M Co1 113.8(3) . . ?
C1M O1M Co2 115.7(3) . . ?
Co1 O1M Co2 91.03(12) . . ?
C1M O1M Co1 119.7(3) . 2_666 ?
Co1 O1M Co1 99.56(12) . 2_666 ?
Co2 O1M Co1 112.06(13) . 2_666 ?
O1M C1M H1M1 109.5 . . ?
O1M C1M H1M2 109.5 . . ?
H1M1 C1M H1M2 109.5 . . ?
O1M C1M H1M3 109.5 . . ?
H1M1 C1M H1M3 109.5 . . ?
H1M2 C1M H1M3 109.5 . . ?
O4 Cl1 O4 180.0(11) 2_556 . ?
O4 Cl1 O3 112.6(7) 2_556 . ?
O4 Cl1 O3 67.4(7) . . ?
O4 Cl1 O3 67.4(7) 2_556 2_556 ?
O4 Cl1 O3 112.6(7) . 2_556 ?
O3 Cl1 O3 180.0(4) . 2_556 ?
O4 Cl1 O2 109.3(5) 2_556 . ?
O4 Cl1 O2 70.7(5) . . ?
O3 Cl1 O2 107.6(5) . . ?
O3 Cl1 O2 72.4(5) 2_556 . ?
O4 Cl1 O2 70.7(5) 2_556 2_556 ?
O4 Cl1 O2 109.3(5) . 2_556 ?
O3 Cl1 O2 72.4(5) . 2_556 ?
O3 Cl1 O2 107.6(5) 2_556 2_556 ?
O2 Cl1 O2 180.000(1) . 2_556 ?
O4 Cl1 O1 110.5(5) 2_556 . ?
O4 Cl1 O1 69.5(5) . . ?
O3 Cl1 O1 111.4(6) . . ?
O3 Cl1 O1 68.6(6) 2_556 . ?
O2 Cl1 O1 105.1(5) . . ?
O2 Cl1 O1 74.9(5) 2_556 . ?
O4 Cl1 O1 69.5(5) 2_556 2_556 ?
O4 Cl1 O1 110.5(5) . 2_556 ?
O3 Cl1 O1 68.6(6) . 2_556 ?
O3 Cl1 O1 111.4(6) 2_556 2_556 ?
O2 Cl1 O1 74.9(5) . 2_556 ?
O2 Cl1 O1 105.1(5) 2_556 2_556 ?
O1 Cl1 O1 180.0(5) . 2_556 ?
Cl1 O1 O4 52.4(4) . . ?
Cl1 O1 O3 55.2(5) . 2_556 ?
O4 O1 O3 91.9(7) . 2_556 ?
Cl1 O1 O2 52.2(4) . 2_556 ?
O4 O1 O2 85.3(6) . 2_556 ?
O3 O1 O2 86.4(6) 2_556 2_556 ?
Cl1 O2 O4 52.3(3) . . ?
Cl1 O2 O3 53.7(4) . 2_556 ?
O4 O2 O3 88.9(6) . 2_556 ?
Cl1 O2 O1 52.9(3) . 2_556 ?
O4 O2 O1 86.1(5) . 2_556 ?
O3 O2 O1 87.2(6) 2_556 2_556 ?
Cl1 O3 O4 53.9(5) . . ?
Cl1 O3 O1 56.2(5) . 2_556 ?
O4 O3 O1 93.2(7) . 2_556 ?
Cl1 O3 O2 54.0(4) . 2_556 ?
O4 O3 O2 89.2(7) . 2_556 ?
O1 O3 O2 87.3(7) 2_556 2_556 ?
Cl1 O4 O3 58.7(5) . . ?
Cl1 O4 O1 58.0(5) . . ?
O3 O4 O1 98.2(7) . . ?
Cl1 O4 O2 57.1(4) . . ?
O3 O4 O2 94.1(7) . . ?
O1 O4 O2 90.9(7) . . ?
O5 Cl2 O7 119.1(14) . . ?
O5 Cl2 O6 97.8(11) . . ?
O7 Cl2 O6 93.0(11) . . ?
O5 Cl2 O8 110.4(14) . . ?
O7 Cl2 O8 114.4(15) . . ?
O6 Cl2 O8 120.5(13) . . ?
O2M C2M H2M1 109.5 . . ?
O2M C2M H2M2 109.5 . . ?
H2M1 C2M H2M2 109.5 . . ?
O2M C2M H2M3 109.5 . . ?
H2M1 C2M H2M3 109.5 . . ?
H2M2 C2M H2M3 109.5 . . ?
C2M O2M H2M 109.5 . . ?
O3M C3M H3M1 109.5 . . ?
O3M C3M H3M2 109.5 . . ?
H3M1 C3M H3M2 109.5 . . ?
O3M C3M H3M3 109.5 . . ?
H3M1 C3M H3M3 109.5 . . ?
H3M2 C3M H3M3 109.5 . . ?
C3M O3M H3M 109.5 . . ?
O4M C4M H4M1 109.5 . . ?
O4M C4M H4M2 109.5 . . ?
H4M1 C4M H4M2 109.5 . . ?
O4M C4M H4M3 109.5 . . ?
H4M1 C4M H4M3 109.5 . . ?
H4M2 C4M H4M3 109.5 . . ?
C4M O4M H4M 109.5 . . ?
O6M C5M H5M4 88.3 . . ?
O5M C5M H5M4 109.5 . . ?
O6M C5M H5M5 86.9 . . ?
O5M C5M H5M5 109.5 . . ?
H5M4 C5M H5M5 109.5 . . ?
O6M C5M H5M6 148.9 . . ?
O5M C5M H5M6 109.5 . . ?
H5M4 C5M H5M6 109.5 . . ?
H5M5 C5M H5M6 109.5 . . ?
O6M C5M H5M1 109.5 . . ?
O5M C5M H5M1 140.7 . . ?
H5M5 C5M H5M1 85.7 . . ?
H5M6 C5M H5M1 98.3 . . ?
O6M C5M H5M2 109.5 . . ?
O5M C5M H5M2 105.3 . . ?
H5M4 C5M H5M2 141.7 . . ?
H5M6 C5M H5M2 72.4 . . ?
H5M1 C5M H5M2 109.5 . . ?
O6M C5M H5M3 109.5 . . ?
O5M C5M H5M3 74.6 . . ?
H5M4 C5M H5M3 95.0 . . ?
H5M5 C5M H5M3 151.2 . . ?
H5M6 C5M H5M3 45.7 . . ?
H5M1 C5M H5M3 109.5 . . ?
H5M2 C5M H5M3 109.5 . . ?
C5M O5M H5M 109.5 . . ?
C5M O6M H6M 109.5 . . ?
O7M C7M H7M1 109.5 . . ?
O7M C7M H7M2 109.5 . . ?
H7M1 C7M H7M2 109.5 . . ?
O7M C7M H7M3 109.5 . . ?
H7M1 C7M H7M3 109.5 . . ?
H7M2 C7M H7M3 109.5 . . ?
C7M O7M H7M 109.5 . . ?
H3W O3W H4W 112.0 . . ?
H5W O4W H6W 111.6 . . ?

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
C151 N21 C11 C21 -176.5(6) . . . . ?
C151 N21 C11 C61 3.5(8) . . . . ?
N21 C11 C21 C31 179.6(8) . . . . ?
C61 C11 C21 C31 -0.4(12) . . . . ?
C11 C21 C31 C41 2.8(16) . . . . ?
C21 C31 C41 C51 -2.3(16) . . . . ?
C31 C41 C51 C61 -0.7(13) . . . . ?
C71 N31 C61 C51 179.2(5) . . . . ?
C71 N31 C61 C11 1.7(7) . . . . ?
C41 C51 C61 N31 -174.5(7) . . . . ?
C41 C51 C61 C11 3.0(10) . . . . ?
N21 C11 C61 N31 -5.0(8) . . . . ?
C21 C11 C61 N31 174.9(6) . . . . ?
N21 C11 C61 C51 177.5(5) . . . . ?
C21 C11 C61 C51 -2.5(9) . . . . ?
C61 N31 C71 C151 2.6(7) . . . . ?
C61 N31 C71 C81 -178.9(5) . . . . ?
N31 C71 C81 C91 9.0(9) . . . . ?
C151 C71 C81 C91 -172.3(5) . . . . ?
N31 C71 C81 C131 -174.4(5) . . . . ?
C151 C71 C81 C131 4.3(5) . . . . ?
C131 C81 C91 C101 -2.3(8) . . . . ?
C71 C81 C91 C101 173.9(5) . . . . ?
C81 C91 C101 C111 0.9(8) . . . . ?
C91 C101 C111 C121 1.1(9) . . . . ?
C101 C111 C121 C131 -1.7(8) . . . . ?
C111 C121 C131 C81 0.4(7) . . . . ?
C111 C121 C131 C141 -173.2(5) . . . . ?
C91 C81 C131 C121 1.6(7) . . . . ?
C71 C81 C131 C121 -175.3(4) . . . . ?
C91 C81 C131 C141 176.5(5) . . . . ?
C71 C81 C131 C141 -0.5(5) . . . . ?
O11 N11 C141 C131 -10.3(7) . . . . ?
O11 N11 C141 C151 165.0(4) . . . . ?
C121 C131 C141 N11 -13.4(9) . . . . ?
C81 C131 C141 N11 172.5(5) . . . . ?
C121 C131 C141 C151 170.9(5) . . . . ?
C81 C131 C141 C151 -3.3(5) . . . . ?
C11 N21 C151 C71 0.8(7) . . . . ?
C11 N21 C151 C141 -175.1(5) . . . . ?
N31 C71 C151 N21 -4.2(8) . . . . ?
C81 C71 C151 N21 177.0(5) . . . . ?
N31 C71 C151 C141 172.4(5) . . . . ?
C81 C71 C151 C141 -6.3(5) . . . . ?
N11 C141 C151 N21 5.9(8) . . . . ?
C131 C141 C151 N21 -177.7(5) . . . . ?
N11 C141 C151 C71 -170.6(4) . . . . ?
C131 C141 C151 C71 5.9(5) . . . . ?
C152 N22 C12 C22 -172.6(5) . . . . ?
C152 N22 C12 C62 5.1(7) . . . . ?
N22 C12 C22 C32 -178.0(5) . . . . ?
C62 C12 C22 C32 4.2(9) . . . . ?
C12 C22 C32 C42 -4.1(11) . . . . ?
C22 C32 C42 C52 3.6(12) . . . . ?
C32 C42 C52 C62 -3.2(12) . . . . ?
C72 N32 C62 C52 178.2(6) . . . . ?
C72 N32 C62 C12 -0.5(8) . . . . ?
C42 C52 C62 N32 -175.5(6) . . . . ?
C42 C52 C62 C12 3.3(10) . . . . ?
N22 C12 C62 N32 -2.8(8) . . . . ?
C22 C12 C62 N32 175.0(5) . . . . ?
N22 C12 C62 C52 178.5(6) . . . . ?
C22 C12 C62 C52 -3.7(8) . . . . ?
C62 N32 C72 C82 179.9(5) . . . . ?
C62 N32 C72 C152 1.2(8) . . . . ?
N32 C72 C82 C92 -0.2(10) . . . . ?
C152 C72 C82 C92 178.6(5) . . . . ?
N32 C72 C82 C132 -179.8(5) . . . . ?
C152 C72 C82 C132 -0.9(6) . . . . ?
C132 C82 C92 C102 0.3(8) . . . . ?
C72 C82 C92 C102 -179.2(5) . . . . ?
C82 C92 C102 C112 -0.6(8) . . . . ?
C92 C102 C112 C122 0.9(9) . . . . ?
C102 C112 C122 C132 -0.7(8) . . . . ?
C112 C122 C132 C82 0.3(8) . . . . ?
C112 C122 C132 C142 -179.2(5) . . . . ?
C92 C82 C132 C122 -0.1(8) . . . . ?
C72 C82 C132 C122 179.5(5) . . . . ?
C92 C82 C132 C142 179.5(5) . . . . ?
C72 C82 C132 C142 -0.9(6) . . . . ?
O12 N12 C142 C132 176.1(4) . . . . ?
O12 N12 C142 C152 2.7(7) . . . . ?
C122 C132 C142 N12 7.1(8) . . . . ?
C82 C132 C142 N12 -172.5(4) . . . . ?
C122 C132 C142 C152 -178.0(5) . . . . ?
C82 C132 C142 C152 2.4(6) . . . . ?
C12 N22 C152 C72 -4.5(7) . . . . ?
Co3 N22 C152 C72 163.9(4) . . . . ?
C12 N22 C152 C142 175.5(5) . . . . ?
Co3 N22 C152 C142 -16.1(7) . . . . ?
N32 C72 C152 N22 1.3(8) . . . . ?
C82 C72 C152 N22 -177.6(5) . . . . ?
N32 C72 C152 C142 -178.7(5) . . . . ?
C82 C72 C152 C142 2.4(5) . . . . ?
N12 C142 C152 N22 -8.8(9) . . . . ?
C132 C142 C152 N22 177.1(5) . . . . ?
N12 C142 C152 C72 171.2(5) . . . . ?
C132 C142 C152 C72 -2.9(5) . . . . ?
C153 N23 C13 C23 -179.1(4) . . . . ?
Co4 N23 C13 C23 23.3(7) . . . . ?
C153 N23 C13 C63 1.2(6) . . . . ?
Co4 N23 C13 C63 -156.5(4) . . . . ?
N23 C13 C23 C33 -179.9(4) . . . . ?
C63 C13 C23 C33 -0.1(7) . . . . ?
C13 C23 C33 C43 0.8(8) . . . . ?
C23 C33 C43 C53 -0.4(9) . . . . ?
C33 C43 C53 C63 -0.6(9) . . . . ?
C73 N33 C63 C53 179.1(5) . . . . ?
C73 N33 C63 C13 -2.3(7) . . . . ?
C43 C53 C63 N33 179.9(5) . . . . ?
C43 C53 C63 C13 1.2(8) . . . . ?
C23 C13 C63 N33 -179.5(4) . . . . ?
N23 C13 C63 N33 0.3(7) . . . . ?
C23 C13 C63 C53 -0.9(7) . . . . ?
N23 C13 C63 C53 178.9(4) . . . . ?
C63 N33 C73 C153 2.8(7) . . . . ?
C63 N33 C73 C83 176.5(5) . . . . ?
N33 C73 C83 C93 1.0(9) . . . . ?
C153 C73 C83 C93 175.5(5) . . . . ?
N33 C73 C83 C133 -174.4(5) . . . . ?
C153 C73 C83 C133 0.1(5) . . . . ?
C133 C83 C93 C103 0.0(8) . . . . ?
C73 C83 C93 C103 -174.9(5) . . . . ?
C83 C93 C103 C113 1.1(8) . . . . ?
C93 C103 C113 C123 -0.2(9) . . . . ?
C103 C113 C123 C133 -1.7(8) . . . . ?
C113 C123 C133 C83 2.8(8) . . . . ?
C113 C123 C133 C143 174.9(5) . . . . ?
C93 C83 C133 C123 -2.0(7) . . . . ?
C73 C83 C133 C123 174.0(4) . . . . ?
C93 C83 C133 C143 -175.7(4) . . . . ?
C73 C83 C133 C143 0.2(5) . . . . ?
O13 N13 C143 C153 -177.3(4) . . . . ?
Co4 N13 C143 C153 8.7(5) . . . . ?
O13 N13 C143 C133 10.5(8) . . . . ?
Co4 N13 C143 C133 -163.5(5) . . . . ?
C123 C133 C143 N13 -0.5(10) . . . . ?
C83 C133 C143 N13 172.3(5) . . . . ?
C123 C133 C143 C153 -173.3(5) . . . . ?
C83 C133 C143 C153 -0.5(5) . . . . ?
C13 N23 C153 C73 -0.7(7) . . . . ?
Co4 N23 C153 C73 164.2(4) . . . . ?
C13 N23 C153 C143 -176.1(4) . . . . ?
Co4 N23 C153 C143 -11.2(5) . . . . ?
N33 C73 C153 N23 -1.5(8) . . . . ?
C83 C73 C153 N23 -176.5(4) . . . . ?
N33 C73 C153 C143 174.6(4) . . . . ?
C83 C73 C153 C143 -0.4(5) . . . . ?
N13 C143 C153 N23 2.4(7) . . . . ?
C133 C143 C153 N23 176.6(4) . . . . ?
N13 C143 C153 C73 -173.6(4) . . . . ?
C133 C143 C153 C73 0.6(5) . . . . ?
Co1 O14 N14 C144 151.4(4) 2_666 . . . ?
Co4 O14 N14 C144 -101.9(4) 2_666 . . . ?
Co1 O14 N14 Co2 -26.7(4) 2_666 . . . ?
Co4 O14 N14 Co2 80.1(3) 2_666 . . . ?
C154 N24 C14 C24 -177.2(5) . . . . ?
Co2 N24 C14 C24 -5.5(8) . . . . ?
C154 N24 C14 C64 0.9(7) . . . . ?
Co2 N24 C14 C64 172.5(4) . . . . ?
N24 C14 C24 C34 176.5(5) . . . . ?
C64 C14 C24 C34 -1.6(8) . . . . ?
C14 C24 C34 C44 0.4(9) . . . . ?
C24 C34 C44 C54 1.0(9) . . . . ?
C34 C44 C54 C64 -1.2(9) . . . . ?
C44 C54 C64 N34 -177.8(5) . . . . ?
C44 C54 C64 C14 -0.1(8) . . . . ?
C74 N34 C64 C54 176.8(5) . . . . ?
C74 N34 C64 C14 -0.8(7) . . . . ?
N24 C14 C64 C54 -176.6(5) . . . . ?
C24 C14 C64 C54 1.5(8) . . . . ?
N24 C14 C64 N34 1.0(8) . . . . ?
C24 C14 C64 N34 179.1(5) . . . . ?
C64 N34 C74 C154 -1.1(7) . . . . ?
C64 N34 C74 C84 -176.7(5) . . . . ?
N34 C74 C84 C94 1.2(10) . . . . ?
C154 C74 C84 C94 -174.8(6) . . . . ?
N34 C74 C84 C134 175.8(5) . . . . ?
C154 C74 C84 C134 -0.2(6) . . . . ?
C134 C84 C94 C104 0.0(9) . . . . ?
C74 C84 C94 C104 174.0(6) . . . . ?
C84 C94 C104 C114 -3.2(9) . . . . ?
C94 C104 C114 C124 4.2(10) . . . . ?
C104 C114 C124 C134 -1.8(9) . . . . ?
C114 C124 C134 C84 -1.4(8) . . . . ?
C114 C124 C134 C144 -175.6(6) . . . . ?
C94 C84 C134 C124 2.3(8) . . . . ?
C74 C84 C134 C124 -173.0(5) . . . . ?
C94 C84 C134 C144 177.7(5) . . . . ?
C74 C84 C134 C144 2.4(6) . . . . ?
O14 N14 C144 C154 170.3(4) . . . . ?
Co2 N14 C144 C154 -11.4(6) . . . . ?
O14 N14 C144 C134 -6.4(9) . . . . ?
Co2 N14 C144 C134 171.8(5) . . . . ?
C124 C134 C144 N14 -12.2(11) . . . . ?
C84 C134 C144 N14 173.2(6) . . . . ?
C124 C134 C144 C154 170.9(6) . . . . ?
C84 C134 C144 C154 -3.7(6) . . . . ?
C14 N24 C154 C74 -3.0(7) . . . . ?
Co2 N24 C154 C74 -177.8(4) . . . . ?
C14 N24 C154 C144 179.2(5) . . . . ?
Co2 N24 C154 C144 4.4(6) . . . . ?
N34 C74 C154 N24 3.3(8) . . . . ?
C84 C74 C154 N24 179.8(5) . . . . ?
N34 C74 C154 C144 -178.5(5) . . . . ?
C84 C74 C154 C144 -2.1(6) . . . . ?
N14 C144 C154 N24 3.9(7) . . . . ?
C134 C144 C154 N24 -178.3(5) . . . . ?
N14 C144 C154 C74 -174.2(4) . . . . ?
C134 C144 C154 C74 3.5(6) . . . . ?
C155 N25 C15 C25 179.9(4) . . . . ?
Co4 N25 C15 C25 9.2(8) . . . . ?
C155 N25 C15 C65 -1.4(6) . . . . ?
Co4 N25 C15 C65 -172.1(4) . . . . ?
N25 C15 C25 C35 179.2(5) . . . . ?
C65 C15 C25 C35 0.4(7) . . . . ?
C15 C25 C35 C45 -1.8(8) . . . . ?
C25 C35 C45 C55 1.6(9) . . . . ?
C35 C45 C55 C65 0.0(9) . . . . ?
C75 N35 C65 C55 179.3(5) . . . . ?
C75 N35 C65 C15 -1.3(7) . . . . ?
C45 C55 C65 N35 178.1(5) . . . . ?
C45 C55 C65 C15 -1.3(8) . . . . ?
N25 C15 C65 N35 2.9(7) . . . . ?
C25 C15 C65 N35 -178.3(5) . . . . ?
N25 C15 C65 C55 -177.7(5) . . . . ?
C25 C15 C65 C55 1.1(7) . . . . ?
C65 N35 C75 C155 -1.6(7) . . . . ?
C65 N35 C75 C85 177.0(5) . . . . ?
N35 C75 C85 C95 -2.5(9) . . . . ?
C155 C75 C85 C95 176.3(5) . . . . ?
N35 C75 C85 C135 179.5(5) . . . . ?
C155 C75 C85 C135 -1.7(6) . . . . ?
C135 C85 C95 C105 0.6(8) . . . . ?
C75 C85 C95 C105 -177.2(6) . . . . ?
C85 C95 C105 C115 -1.4(10) . . . . ?
C95 C105 C115 C125 1.6(10) . . . . ?
C105 C115 C125 C135 -0.9(9) . . . . ?
C115 C125 C135 C85 0.2(8) . . . . ?
C115 C125 C135 C145 176.5(5) . . . . ?
C95 C85 C135 C125 0.0(8) . . . . ?
C75 C85 C135 C125 178.2(4) . . . . ?
C95 C85 C135 C145 -177.2(5) . . . . ?
C75 C85 C135 C145 1.1(6) . . . . ?
O15 N15 C145 C155 179.7(4) . . . . ?
Co4 N15 C145 C155 4.0(5) . . . . ?
O15 N15 C145 C135 5.6(8) . . . . ?
Co4 N15 C145 C135 -170.1(5) . . . . ?
C125 C135 C145 N15 -2.2(10) . . . . ?
C85 C135 C145 N15 174.5(5) . . . . ?
C125 C135 C145 C155 -176.7(5) . . . . ?
C85 C135 C145 C155 0.0(5) . . . . ?
C15 N25 C155 C75 -1.5(7) . . . . ?
Co4 N25 C155 C75 172.5(4) . . . . ?
C15 N25 C155 C145 -178.5(4) . . . . ?
Co4 N25 C155 C145 -4.5(5) . . . . ?
N35 C75 C155 N25 3.3(8) . . . . ?
C85 C75 C155 N25 -175.7(4) . . . . ?
N35 C75 C155 C145 -179.4(5) . . . . ?
C85 C75 C155 C145 1.7(5) . . . . ?
N15 C145 C155 N25 0.6(7) . . . . ?
C135 C145 C155 N25 176.3(4) . . . . ?
N15 C145 C155 C75 -176.8(4) . . . . ?
C135 C145 C155 C75 -1.1(5) . . . . ?
O16 C16 C26 N16 -126.2(4) . . . . ?
O26 C16 C26 N16 52.8(5) . . . . ?
O16 C16 C26 C46 118.9(5) . . . . ?
O26 C16 C26 C46 -62.0(5) . . . . ?
O16 C16 C26 C36 -4.9(6) . . . . ?
O26 C16 C26 C36 174.1(4) . . . . ?


_diffrn_measured_fraction_theta_max 0.521
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.944
_refine_diff_density_min         -0.792
_refine_diff_density_rms         0.104

# start Validation Reply Form
_vrf_PLAT241_at581a              
;
PROBLEM: Check High      Ueq as Compared to Neighbors for        C31     
RESPONSE: Unresolved disorder of a ligand.
;
_vrf_CELLZ01_at581a              
;
PROBLEM: There is a discrepancy between the atom counts in the    
RESPONSE: Due to disorder part of solvent water molecules without hydrogen atoms 
;
# end Validation Reply Form
_database_code_depnum_ccdc_archive 'CCDC 989908'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_at581ba

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C160 H102 Co8 N32 O16, 2(Cl O4), C H4 O, 3(H2 O)'
_chemical_formula_sum            'C161 H112 Cl2 Co8 N32 O28'
_chemical_formula_weight         3485.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           TRICLINIC
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_HALL  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.941(6)
_cell_length_b                   16.820(7)
_cell_length_c                   17.005(5)
_cell_angle_alpha                113.14(3)
_cell_angle_beta                 106.62(3)
_cell_angle_gamma                103.07(3)
_cell_volume                     3709(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7217
_cell_measurement_reflns_theta_min 2.87
_cell_measurement_reflns_theta_max 30.06

_exptl_crystal_description       plate
_exptl_crystal_colour            'pale brown'
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1776
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KM4CCD
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36057
_diffrn_reflns_av_R_equivalents  0.0662
_diffrn_reflns_av_sigmaI/netI    0.1823
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.87
_diffrn_reflns_theta_max         30.06
_reflns_number_total             17925
_reflns_number_gt                6864
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,2008'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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.   
;

_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)+(0.0300P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    CONSTR
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         17925
_refine_ls_number_parameters     1114
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1850
_refine_ls_R_factor_gt           0.0647
_refine_ls_wR_factor_ref         0.1214
_refine_ls_wR_factor_gt          0.1067
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.006
_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 0.42362(4) 0.45951(4) 0.39605(4) 0.03725(18) Uani 1 1 d . . .
Co2 Co 0.33834(4) 0.50567(5) 0.53336(4) 0.04026(19) Uani 1 1 d . . .
Co3 Co 0.24184(5) 0.38416(5) 0.21032(4) 0.0503(2) Uani 1 1 d . . .
Co4 Co 0.47030(4) 0.40008(5) 0.21640(4) 0.04188(19) Uani 1 1 d . . .
N11 N 0.2282(3) 0.3454(3) 0.3324(3) 0.0463(11) Uani 1 1 d . . .
N21 N 0.0268(3) 0.2863(3) 0.2175(3) 0.0509(11) Uani 1 1 d . . .
N31 N -0.0808(3) 0.1559(3) 0.2572(3) 0.0605(12) Uani 1 1 d . . .
O11 O 0.3157(2) 0.3788(2) 0.40886(19) 0.0403(8) Uani 1 1 d . . .
O14 O 0.4952(2) 0.4790(2) 0.6561(2) 0.0521(9) Uani 1 1 d . . .
O13 O 0.6402(2) 0.3778(2) 0.3550(2) 0.0449(8) Uani 1 1 d . . .
C11 C -0.0715(4) 0.2593(3) 0.1876(3) 0.0485(13) Uani 1 1 d . . .
C21 C -0.1158(4) 0.2990(4) 0.1396(3) 0.0585(15) Uani 1 1 d . . .
H21 H -0.0812 0.3395 0.1235 0.070 Uiso 1 1 calc R . .
C31 C -0.2118(4) 0.2781(4) 0.1157(4) 0.0648(16) Uani 1 1 d . . .
H31 H -0.2423 0.3071 0.0852 0.078 Uiso 1 1 calc R . .
C41 C -0.2653(4) 0.2157(4) 0.1350(4) 0.0619(16) Uani 1 1 d . . .
H41 H -0.3317 0.2000 0.1152 0.074 Uiso 1 1 calc R . .
C51 C -0.2206(4) 0.1783(4) 0.1823(4) 0.0694(17) Uani 1 1 d . . .
H51 H -0.2563 0.1376 0.1973 0.083 Uiso 1 1 calc R . .
C61 C -0.1225(4) 0.1976(4) 0.2102(4) 0.0538(14) Uani 1 1 d . . .
C71 C 0.0108(4) 0.1809(3) 0.2819(4) 0.0501(14) Uani 1 1 d . . .
C81 C 0.0773(4) 0.1533(4) 0.3349(3) 0.0485(13) Uani 1 1 d . . .
C91 C 0.0597(4) 0.0848(4) 0.3604(4) 0.0604(15) Uani 1 1 d . . .
H91 H -0.0027 0.0509 0.3494 0.072 Uiso 1 1 calc R . .
C101 C 0.1369(4) 0.0674(4) 0.4030(3) 0.0593(15) Uani 1 1 d . . .
H101 H 0.1271 0.0202 0.4207 0.071 Uiso 1 1 calc R . .
C111 C 0.2280(4) 0.1183(4) 0.4198(3) 0.0549(14) Uani 1 1 d . . .
H111 H 0.2794 0.1042 0.4474 0.066 Uiso 1 1 calc R . .
C121 C 0.2450(4) 0.1892(3) 0.3970(3) 0.0488(13) Uani 1 1 d . . .
H121 H 0.3077 0.2247 0.4103 0.059 Uiso 1 1 calc R . .
C131 C 0.1693(4) 0.2071(3) 0.3548(3) 0.0471(13) Uani 1 1 d . . .
C141 C 0.1664(3) 0.2718(4) 0.3167(3) 0.0457(13) Uani 1 1 d . . .
C151 C 0.0640(4) 0.2465(3) 0.2642(3) 0.0458(13) Uani 1 1 d . . .
O12 O 0.3631(2) 0.3488(2) 0.2518(2) 0.0463(9) Uani 1 1 d . . .
N12 N 0.3584(3) 0.2666(4) 0.2530(3) 0.0589(12) Uani 1 1 d . . .
N22 N 0.1724(3) 0.2441(4) 0.0991(3) 0.0684(14) Uani 1 1 d . . .
N32 N 0.0767(5) 0.0475(4) -0.0331(5) 0.091(2) Uani 1 1 d . . .
C12 C 0.1000(4) 0.2119(5) 0.0151(5) 0.0671(17) Uani 1 1 d . . .
C22 C 0.0707(4) 0.2721(6) -0.0128(4) 0.090(2) Uani 1 1 d . . .
H22 H 0.1007 0.3374 0.0302 0.108 Uiso 1 1 calc R . .
C32 C 0.0016(5) 0.2426(7) -0.0979(6) 0.108(3) Uani 1 1 d . . .
H32 H -0.0154 0.2858 -0.1152 0.129 Uiso 1 1 calc R . .
C42 C -0.0458(6) 0.1419(9) -0.1621(6) 0.128(4) Uani 1 1 d . . .
H42 H -0.0951 0.1192 -0.2220 0.154 Uiso 1 1 calc R . .
C52 C -0.0214(6) 0.0815(7) -0.1385(6) 0.115(3) Uani 1 1 d . . .
H52 H -0.0543 0.0161 -0.1809 0.138 Uiso 1 1 calc R . .
C62 C 0.0535(6) 0.1139(7) -0.0504(5) 0.089(2) Uani 1 1 d . . .
C72 C 0.1517(6) 0.0814(5) 0.0491(5) 0.080(2) Uani 1 1 d . . .
C82 C 0.1984(6) 0.0336(6) 0.0883(6) 0.091(2) Uani 1 1 d . . .
C92 C 0.1802(6) -0.0598(6) 0.0544(6) 0.109(3) Uani 1 1 d . . .
H92 H 0.1284 -0.1038 -0.0046 0.131 Uiso 1 1 calc R . .
C102 C 0.2332(8) -0.0905(7) 0.1022(8) 0.135(4) Uani 1 1 d . . .
H102 H 0.2204 -0.1555 0.0779 0.162 Uiso 1 1 calc R . .
C112 C 0.3088(6) -0.0235(6) 0.1898(7) 0.113(3) Uani 1 1 d . . .
H112 H 0.3466 -0.0448 0.2246 0.136 Uiso 1 1 calc R . .
C122 C 0.3306(5) 0.0712(5) 0.2276(5) 0.088(2) Uani 1 1 d . . .
H122 H 0.3815 0.1145 0.2874 0.106 Uiso 1 1 calc R . .
C132 C 0.2768(5) 0.1007(4) 0.1763(5) 0.0706(19) Uani 1 1 d . . .
C142 C 0.2809(5) 0.1920(5) 0.1894(4) 0.0651(17) Uani 1 1 d . . .
C152 C 0.2002(5) 0.1822(5) 0.1139(4) 0.0655(17) Uani 1 1 d . . .
N13 N 0.5658(3) 0.3429(3) 0.2740(3) 0.0404(10) Uani 1 1 d . . .
N23 N 0.4162(3) 0.2620(3) 0.0944(3) 0.0428(10) Uani 1 1 d . . .
N33 N 0.3669(3) 0.0630(3) -0.0127(3) 0.0522(11) Uani 1 1 d . . .
C13 C 0.3445(3) 0.2084(4) 0.0038(3) 0.0445(13) Uani 1 1 d . . .
C23 C 0.2949(3) 0.2514(4) -0.0376(3) 0.0478(13) Uani 1 1 d . . .
H23 H 0.3094 0.3166 -0.0036 0.057 Uiso 1 1 calc R . .
C33 C 0.2258(3) 0.1979(4) -0.1271(4) 0.0562(15) Uani 1 1 d . . .
H33 H 0.1921 0.2268 -0.1549 0.067 Uiso 1 1 calc R . .
C43 C 0.2038(4) 0.1046(5) -0.1778(4) 0.0576(15) Uani 1 1 d . . .
H43 H 0.1555 0.0699 -0.2402 0.069 Uiso 1 1 calc R . .
C53 C 0.2502(4) 0.0592(4) -0.1403(4) 0.0592(15) Uani 1 1 d . . .
H53 H 0.2341 -0.0062 -0.1760 0.071 Uiso 1 1 calc R . .
C63 C 0.3223(3) 0.1125(4) -0.0474(3) 0.0457(13) Uani 1 1 d . . .
C73 C 0.4343(3) 0.1170(4) 0.0742(4) 0.0464(13) Uani 1 1 d . . .
C83 C 0.4960(3) 0.0923(4) 0.1362(4) 0.0455(13) Uani 1 1 d . . .
C93 C 0.4975(4) 0.0061(4) 0.1231(4) 0.0582(15) Uani 1 1 d . . .
H93 H 0.4567 -0.0494 0.0651 0.070 Uiso 1 1 calc R . .
C103 C 0.5597(4) 0.0028(4) 0.1963(4) 0.0625(16) Uani 1 1 d . . .
H103 H 0.5619 -0.0558 0.1883 0.075 Uiso 1 1 calc R . .
C113 C 0.6185(4) 0.0831(4) 0.2806(4) 0.0530(14) Uani 1 1 d . . .
H113 H 0.6602 0.0788 0.3299 0.064 Uiso 1 1 calc R . .
C123 C 0.6182(3) 0.1691(4) 0.2950(3) 0.0469(13) Uani 1 1 d . . .
H123 H 0.6590 0.2240 0.3535 0.056 Uiso 1 1 calc R . .
C133 C 0.5568(3) 0.1740(4) 0.2222(3) 0.0404(12) Uani 1 1 d . . .
C143 C 0.5351(3) 0.2534(4) 0.2170(3) 0.0394(12) Uani 1 1 d . . .
C153 C 0.4582(3) 0.2144(4) 0.1249(3) 0.0405(12) Uani 1 1 d . . .
N14 N 0.4050(3) 0.4518(3) 0.6100(3) 0.0549(12) Uani 1 1 d . . .
N24 N 0.2096(3) 0.4063(3) 0.5328(3) 0.0470(11) Uani 1 1 d . . .
N34 N 0.1102(3) 0.2679(3) 0.5698(3) 0.0588(12) Uani 1 1 d . . .
C14 C 0.1129(4) 0.3775(4) 0.5052(3) 0.0558(15) Uani 1 1 d . . .
C24 C 0.0606(4) 0.4130(3) 0.4559(3) 0.0541(14) Uani 1 1 d . . .
H24 H 0.0926 0.4574 0.4423 0.065 Uiso 1 1 calc R . .
C34 C -0.0342(4) 0.3853(4) 0.4276(4) 0.0677(17) Uani 1 1 d . . .
H34 H -0.0687 0.4100 0.3944 0.081 Uiso 1 1 calc R . .
C44 C -0.0816(4) 0.3194(4) 0.4476(4) 0.0757(18) Uani 1 1 d . . .
H44 H -0.1484 0.2995 0.4271 0.091 Uiso 1 1 calc R . .
C54 C -0.0337(4) 0.2830(4) 0.4960(4) 0.0712(17) Uani 1 1 d . . .
H54 H -0.0672 0.2395 0.5096 0.085 Uiso 1 1 calc R . .
C64 C 0.0636(4) 0.3097(4) 0.5249(4) 0.0579(15) Uani 1 1 d . . .
C74 C 0.2001(4) 0.2926(4) 0.5902(3) 0.0530(14) Uani 1 1 d . . .
C84 C 0.2699(4) 0.2622(4) 0.6330(3) 0.0514(14) Uani 1 1 d . . .
C94 C 0.2594(4) 0.1919(4) 0.6560(3) 0.0615(15) Uani 1 1 d . . .
H94 H 0.1999 0.1589 0.6516 0.074 Uiso 1 1 calc R . .
C104 C 0.3371(5) 0.1699(4) 0.6857(4) 0.0719(17) Uani 1 1 d . . .
H104 H 0.3304 0.1211 0.7012 0.086 Uiso 1 1 calc R . .
C114 C 0.4256(4) 0.2188(4) 0.6931(3) 0.0676(17) Uani 1 1 d . . .
H114 H 0.4780 0.2022 0.7122 0.081 Uiso 1 1 calc R . .
C124 C 0.4359(4) 0.2915(4) 0.6725(3) 0.0599(15) Uani 1 1 d . . .
H124 H 0.4961 0.3265 0.6798 0.072 Uiso 1 1 calc R . .
C134 C 0.3594(4) 0.3128(4) 0.6418(3) 0.0551(15) Uani 1 1 d . . .
C144 C 0.3460(4) 0.3773(4) 0.6087(3) 0.0581(15) Uani 1 1 d . . .
C154 C 0.2461(4) 0.3629(4) 0.5701(3) 0.0488(14) Uani 1 1 d . . .
O15 O 0.2918(2) 0.4431(2) 0.1430(2) 0.0527(9) Uani 1 1 d . . .
N15 N 0.3794(3) 0.4534(3) 0.1541(2) 0.0434(10) Uani 1 1 d . . .
N25 N 0.5656(3) 0.4762(3) 0.1754(2) 0.0385(10) Uani 1 1 d . . .
N35 N 0.6373(3) 0.6037(3) 0.1126(2) 0.0437(10) Uani 1 1 d . . .
C15 C 0.6577(3) 0.5015(3) 0.1828(3) 0.0389(12) Uani 1 1 d . . .
C25 C 0.7199(3) 0.4692(3) 0.2261(3) 0.0424(12) Uani 1 1 d . . .
H25 H 0.6987 0.4291 0.2491 0.051 Uiso 1 1 calc R . .
C35 C 0.8120(4) 0.4956(4) 0.2352(3) 0.0512(14) Uani 1 1 d . . .
H35 H 0.8548 0.4766 0.2681 0.061 Uiso 1 1 calc R . .
C45 C 0.8435(3) 0.5493(4) 0.1976(3) 0.0546(15) Uani 1 1 d . . .
H45 H 0.9058 0.5630 0.2005 0.065 Uiso 1 1 calc R . .
C55 C 0.7840(3) 0.5826(4) 0.1562(3) 0.0525(14) Uani 1 1 d . . .
H55 H 0.8063 0.6208 0.1317 0.063 Uiso 1 1 calc R . .
C65 C 0.6907(3) 0.5614(4) 0.1491(3) 0.0444(13) Uani 1 1 d . . .
C75 C 0.5525(3) 0.5820(3) 0.1110(3) 0.0417(12) Uani 1 1 d . . .
C85 C 0.4784(3) 0.6167(3) 0.0846(3) 0.0405(12) Uani 1 1 d . . .
C95 C 0.4797(3) 0.6860(4) 0.0609(3) 0.0511(14) Uani 1 1 d . . .
H95 H 0.5325 0.7157 0.0532 0.061 Uiso 1 1 calc R . .
C105 C 0.4023(4) 0.7116(4) 0.0486(3) 0.0591(15) Uani 1 1 d . . .
H105 H 0.4028 0.7601 0.0330 0.071 Uiso 1 1 calc R . .
C115 C 0.3239(4) 0.6678(4) 0.0585(3) 0.0562(15) Uani 1 1 d . . .
H115 H 0.2718 0.6869 0.0498 0.067 Uiso 1 1 calc R . .
C125 C 0.3209(3) 0.5970(4) 0.0809(3) 0.0472(13) Uani 1 1 d . . .
H125 H 0.2668 0.5657 0.0860 0.057 Uiso 1 1 calc R . .
C135 C 0.3998(3) 0.5732(3) 0.0957(3) 0.0389(12) Uani 1 1 d . . .
C145 C 0.4220(3) 0.5093(3) 0.1285(3) 0.0378(12) Uani 1 1 d . . .
C155 C 0.5178(3) 0.5179(3) 0.1403(3) 0.0394(12) Uani 1 1 d . . .
O16 O 0.25997(19) 0.5470(2) 0.4474(2) 0.0412(8) Uani 1 1 d . . .
O26 O 0.3206(2) 0.5058(2) 0.34019(19) 0.0414(8) Uani 1 1 d . . .
N16 N 0.1429(2) 0.4484(3) 0.2107(2) 0.0489(11) Uani 1 1 d . . .
H16A H 0.1262 0.4566 0.1587 0.059 Uiso 1 1 calc R . .
H16B H 0.0891 0.4107 0.2078 0.059 Uiso 1 1 calc R . .
C16 C 0.2597(3) 0.5321(3) 0.3694(3) 0.0419(12) Uani 1 1 d . . .
C26 C 0.1852(3) 0.5411(4) 0.2983(3) 0.0452(13) Uani 1 1 d . . .
C36 C 0.2350(3) 0.6187(4) 0.2816(3) 0.0563(15) Uani 1 1 d . . .
H36A H 0.2811 0.6022 0.2575 0.085 Uiso 1 1 calc R . .
H36B H 0.2678 0.6780 0.3411 0.085 Uiso 1 1 calc R . .
H36C H 0.1878 0.6254 0.2357 0.085 Uiso 1 1 calc R . .
C46 C 0.1093(3) 0.5634(4) 0.3304(3) 0.0631(16) Uani 1 1 d . . .
H46A H 0.0657 0.5731 0.2846 0.095 Uiso 1 1 calc R . .
H46B H 0.1395 0.6202 0.3921 0.095 Uiso 1 1 calc R . .
H46C H 0.0740 0.5110 0.3353 0.095 Uiso 1 1 calc R . .
O1M O 0.53423(19) 0.4331(2) 0.46946(18) 0.0344(7) Uani 1 1 d . . .
C1M C 0.5155(3) 0.3415(3) 0.4613(3) 0.0458(13) Uani 1 1 d . . .
H1M1 H 0.5701 0.3433 0.5078 0.069 Uiso 1 1 calc R . .
H1M2 H 0.5045 0.2961 0.3979 0.069 Uiso 1 1 calc R . .
H1M3 H 0.4592 0.3228 0.4726 0.069 Uiso 1 1 calc R . .
Cl1 Cl 0.2256(3) -0.1229(3) 0.4564(3) 0.0986(11) Uani 0.50 1 d P . .
O1 O 0.2493(4) -0.1807(4) 0.4807(4) 0.0482(18) Uani 0.50 1 d P . .
O2 O 0.1270(7) -0.1878(7) 0.3488(7) 0.116(4) Uani 0.50 1 d P . .
O3 O 0.1996(7) -0.0701(6) 0.5292(8) 0.109(3) Uani 0.50 1 d P . .
O4 O 0.2948(10) -0.0641(12) 0.4502(15) 0.279(10) Uani 0.50 1 d P . .
O3W O 0.1765(9) -0.0755(9) 0.6220(9) 0.185(5) Uani 0.50 1 d P . .
Cl2 Cl 0.0020(6) 0.5181(7) 0.0278(3) 0.149(3) Uani 0.50 1 d P A -1
O5 O 0.0795(8) 0.4863(15) 0.0396(10) 0.082(4) Uani 0.50 1 d P A -1
O6 O 0.0089(7) 0.5752(11) 0.1078(10) 0.139(5) Uani 0.50 1 d P A -1
O7 O -0.0827(9) 0.4062(12) -0.0133(14) 0.246(9) Uani 0.50 1 d P A -1
O8 O -0.0328(13) 0.526(2) -0.0377(17) 0.203(14) Uani 0.50 1 d P A -1
O1W O -0.0332(4) 0.8512(4) 0.3617(5) 0.067(3) Uani 0.584(8) 1 d P . .
O2W O 0.0436(8) 0.9599(11) 0.5117(11) 0.162(8) Uani 0.416(8) 1 d P . .
O2M O 0.5149(7) 0.1274(8) 0.4796(9) 0.129(4) Uani 0.50 1 d PD . .
H2M H 0.4570 0.1067 0.4674 0.194 Uiso 0.50 1 calc PR . .
C2M C 0.5463(11) 0.0633(10) 0.4721(10) 0.127(6) Uani 0.50 1 d PD . .
H2M1 H 0.6101 0.0835 0.4745 0.190 Uiso 0.50 1 calc PR . .
H2M2 H 0.5042 0.0063 0.4120 0.190 Uiso 0.50 1 calc PR . .
H2M3 H 0.5489 0.0505 0.5241 0.190 Uiso 0.50 1 calc PR . .


_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 O11 2.059(3) . ?
Co1 O1M 2.066(3) 2_666 ?
Co1 O14 2.075(3) 2_666 ?
Co1 O1M 2.096(3) . ?
Co1 O26 2.116(3) . ?
Co1 O12 2.158(3) . ?
Co1 Co2 2.9615(13) . ?
Co2 O13 1.991(3) 2_666 ?
Co2 N14 2.054(4) . ?
Co2 O16 2.080(3) . ?
Co2 O1M 2.082(3) 2_666 ?
Co2 O11 2.197(3) . ?
Co2 N24 2.330(4) . ?
Co3 O15 1.996(3) . ?
Co3 O26 2.084(3) . ?
Co3 N16 2.104(4) . ?
Co3 N22 2.115(5) . ?
Co3 O12 2.159(3) . ?
Co4 O12 2.087(3) . ?
Co4 N15 2.117(4) . ?
Co4 O14 2.117(3) 2_666 ?
Co4 N23 2.173(4) . ?
Co4 N13 2.180(4) . ?
Co4 N25 2.204(4) . ?
N11 C141 1.269(5) . ?
N11 O11 1.409(4) . ?
N21 C151 1.326(5) . ?
N21 C11 1.400(6) . ?
N31 C71 1.311(6) . ?
N31 C61 1.384(6) . ?
O14 N14 1.291(5) . ?
O14 Co1 2.075(3) 2_666 ?
O14 Co4 2.117(3) 2_666 ?
O13 N13 1.327(4) . ?
O13 Co2 1.991(3) 2_666 ?
C11 C21 1.386(6) . ?
C11 C61 1.415(6) . ?
C21 C31 1.386(6) . ?
C21 H21 0.9500 . ?
C31 C41 1.401(6) . ?
C31 H31 0.9500 . ?
C41 C51 1.350(7) . ?
C41 H41 0.9500 . ?
C51 C61 1.415(7) . ?
C51 H51 0.9500 . ?
C71 C151 1.418(6) . ?
C71 C81 1.468(7) . ?
C81 C91 1.383(6) . ?
C81 C131 1.400(6) . ?
C91 C101 1.394(6) . ?
C91 H91 0.9500 . ?
C101 C111 1.390(6) . ?
C101 H101 0.9500 . ?
C111 C121 1.386(6) . ?
C111 H111 0.9500 . ?
C121 C131 1.381(6) . ?
C121 H121 0.9500 . ?
C131 C141 1.470(6) . ?
C141 C151 1.483(6) . ?
O12 N12 1.377(5) . ?
N12 C142 1.318(6) . ?
N22 C152 1.301(7) . ?
N22 C12 1.354(7) . ?
N32 C72 1.349(8) . ?
N32 C62 1.360(9) . ?
C12 C22 1.390(8) . ?
C12 C62 1.429(9) . ?
C22 C32 1.352(8) . ?
C22 H22 0.9500 . ?
C32 C42 1.459(11) . ?
C32 H32 0.9500 . ?
C42 C52 1.324(11) . ?
C42 H42 0.9500 . ?
C52 C62 1.418(10) . ?
C52 H52 0.9500 . ?
C72 C82 1.433(9) . ?
C72 C152 1.462(8) . ?
C82 C92 1.368(9) . ?
C82 C132 1.428(9) . ?
C92 C102 1.333(11) . ?
C92 H92 0.9500 . ?
C102 C112 1.407(10) . ?
C102 H102 0.9500 . ?
C112 C122 1.374(9) . ?
C112 H112 0.9500 . ?
C122 C132 1.359(8) . ?
C122 H122 0.9500 . ?
C132 C142 1.445(8) . ?
C142 C152 1.457(8) . ?
N13 C143 1.302(5) . ?
N23 C153 1.315(5) . ?
N23 C13 1.389(5) . ?
N33 C73 1.326(6) . ?
N33 C63 1.399(6) . ?
C13 C63 1.396(7) . ?
C13 C23 1.408(6) . ?
C23 C33 1.363(6) . ?
C23 H23 0.9500 . ?
C33 C43 1.358(7) . ?
C33 H33 0.9500 . ?
C43 C53 1.380(7) . ?
C43 H43 0.9500 . ?
C53 C63 1.416(6) . ?
C53 H53 0.9500 . ?
C73 C153 1.411(6) . ?
C73 C83 1.479(6) . ?
C83 C93 1.383(6) . ?
C83 C133 1.406(6) . ?
C93 C103 1.383(7) . ?
C93 H93 0.9500 . ?
C103 C113 1.376(7) . ?
C103 H103 0.9500 . ?
C113 C123 1.371(6) . ?
C113 H113 0.9500 . ?
C123 C133 1.386(6) . ?
C123 H123 0.9500 . ?
C133 C143 1.481(6) . ?
C143 C153 1.455(6) . ?
N14 C144 1.374(6) . ?
N24 C154 1.273(6) . ?
N24 C14 1.380(6) . ?
N34 C74 1.295(6) . ?
N34 C64 1.402(6) . ?
C14 C24 1.405(6) . ?
C14 C64 1.440(7) . ?
C24 C34 1.350(7) . ?
C24 H24 0.9500 . ?
C34 C44 1.407(7) . ?
C34 H34 0.9500 . ?
C44 C54 1.372(7) . ?
C44 H44 0.9500 . ?
C54 C64 1.387(7) . ?
C54 H54 0.9500 . ?
C74 C84 1.455(7) . ?
C74 C154 1.456(7) . ?
C84 C94 1.376(7) . ?
C84 C134 1.419(7) . ?
C94 C104 1.385(7) . ?
C94 H94 0.9500 . ?
C104 C114 1.405(7) . ?
C104 H104 0.9500 . ?
C114 C124 1.388(7) . ?
C114 H114 0.9500 . ?
C124 C134 1.366(7) . ?
C124 H124 0.9500 . ?
C134 C144 1.434(7) . ?
C144 C154 1.459(7) . ?
O15 N15 1.316(4) . ?
N15 C145 1.317(5) . ?
N25 C155 1.320(5) . ?
N25 C15 1.386(5) . ?
N35 C75 1.307(5) . ?
N35 C65 1.391(5) . ?
C15 C25 1.401(6) . ?
C15 C65 1.417(6) . ?
C25 C35 1.377(6) . ?
C25 H25 0.9500 . ?
C35 C45 1.382(6) . ?
C35 H35 0.9500 . ?
C45 C55 1.370(6) . ?
C45 H45 0.9500 . ?
C55 C65 1.406(6) . ?
C55 H55 0.9500 . ?
C75 C155 1.423(6) . ?
C75 C85 1.467(6) . ?
C85 C95 1.372(6) . ?
C85 C135 1.404(6) . ?
C95 C105 1.383(6) . ?
C95 H95 0.9500 . ?
C105 C115 1.392(6) . ?
C105 H105 0.9500 . ?
C115 C125 1.380(6) . ?
C115 H115 0.9500 . ?
C125 C135 1.390(6) . ?
C125 H125 0.9500 . ?
C135 C145 1.457(6) . ?
C145 C155 1.447(6) . ?
O16 C16 1.248(5) . ?
O26 C16 1.296(5) . ?
N16 C26 1.493(6) . ?
N16 H16A 0.9200 . ?
N16 H16B 0.9200 . ?
C16 C26 1.516(6) . ?
C26 C46 1.524(6) . ?
C26 C36 1.537(6) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
O1M C1M 1.444(5) . ?
O1M Co1 2.066(3) 2_666 ?
O1M Co2 2.082(3) 2_666 ?
C1M H1M1 0.9800 . ?
C1M H1M2 0.9800 . ?
C1M H1M3 0.9800 . ?
Cl1 O1 1.286(6) . ?
Cl1 O4 1.365(12) . ?
Cl1 O3 1.444(10) . ?
Cl1 O2 1.738(11) . ?
O3 O3W 1.750(16) . ?
Cl2 O8 1.17(2) . ?
Cl2 O6 1.274(14) . ?
Cl2 O5 1.447(16) . ?
Cl2 O7 1.77(2) . ?
O2M C2M 1.266(12) . ?
O2M H2M 0.8400 . ?
C2M H2M1 0.9800 . ?
C2M H2M2 0.9800 . ?
C2M H2M3 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












O11 Co1 O1M 90.68(12) . 2_666 ?
O11 Co1 O14 163.82(12) . 2_666 ?
O1M Co1 O14 102.86(12) 2_666 2_666 ?
O11 Co1 O1M 97.76(12) . . ?
O1M Co1 O1M 80.62(12) 2_666 . ?
O14 Co1 O1M 93.20(12) 2_666 . ?
O11 Co1 O26 84.44(12) . . ?
O1M Co1 O26 91.13(12) 2_666 . ?
O14 Co1 O26 86.46(12) 2_666 . ?
O1M Co1 O26 171.47(12) . . ?
O11 Co1 O12 85.67(12) . . ?
O1M Co1 O12 173.08(11) 2_666 . ?
O14 Co1 O12 79.92(12) 2_666 . ?
O1M Co1 O12 105.67(12) . . ?
O26 Co1 O12 82.68(13) . . ?
O11 Co1 Co2 47.86(9) . . ?
O1M Co1 Co2 44.67(8) 2_666 . ?
O14 Co1 Co2 141.76(10) 2_666 . ?
O1M Co1 Co2 98.70(8) . . ?
O26 Co1 Co2 76.62(8) . . ?
O12 Co1 Co2 130.11(9) . . ?
O13 Co2 N14 95.18(14) 2_666 . ?
O13 Co2 O16 88.80(12) 2_666 . ?
N14 Co2 O16 174.26(16) . . ?
O13 Co2 O1M 92.61(12) 2_666 2_666 ?
N14 Co2 O1M 89.40(16) . 2_666 ?
O16 Co2 O1M 94.56(11) . 2_666 ?
O13 Co2 O11 178.80(12) 2_666 . ?
N14 Co2 O11 85.63(14) . . ?
O16 Co2 O11 90.46(12) . . ?
O1M Co2 O11 86.51(11) 2_666 . ?
O13 Co2 N24 97.28(13) 2_666 . ?
N14 Co2 N24 78.89(18) . . ?
O16 Co2 N24 96.53(14) . . ?
O1M Co2 N24 165.27(13) 2_666 . ?
O11 Co2 N24 83.74(13) . . ?
N14 Co2 Co1 96.25(12) . . ?
O16 Co2 Co1 83.76(9) . . ?
O1M Co2 Co1 44.23(8) 2_666 . ?
O11 Co2 Co1 44.01(8) . . ?
N24 Co2 Co1 127.68(10) . . ?
O15 Co3 O26 92.51(13) . . ?
O15 Co3 N16 90.90(14) . . ?
O26 Co3 N16 80.55(14) . . ?
O15 Co3 N22 98.66(16) . . ?
O26 Co3 N22 165.30(17) . . ?
N16 Co3 N22 108.65(19) . . ?
O15 Co3 O12 93.39(13) . . ?
O26 Co3 O12 83.42(12) . . ?
N16 Co3 O12 163.56(13) . . ?
N22 Co3 O12 86.39(18) . . ?
O12 Co4 N15 86.28(14) . . ?
O12 Co4 O14 80.61(13) . 2_666 ?
N15 Co4 O14 84.47(14) . 2_666 ?
O12 Co4 N23 88.19(13) . . ?
N15 Co4 N23 97.21(15) . . ?
O14 Co4 N23 168.56(12) 2_666 . ?
O12 Co4 N13 96.04(13) . . ?
N15 Co4 N13 176.90(14) . . ?
O14 Co4 N13 97.92(15) 2_666 . ?
N23 Co4 N13 80.84(16) . . ?
O12 Co4 N25 166.30(13) . . ?
N15 Co4 N25 80.77(15) . . ?
O14 Co4 N25 93.60(13) 2_666 . ?
N23 Co4 N25 97.83(14) . . ?
N13 Co4 N25 97.06(14) . . ?
C141 N11 O11 114.4(4) . . ?
C151 N21 C11 114.0(4) . . ?
C71 N31 C61 114.4(4) . . ?
N11 O11 Co1 110.9(2) . . ?
N11 O11 Co2 112.8(2) . . ?
Co1 O11 Co2 88.13(12) . . ?
N14 O14 Co1 113.9(3) . 2_666 ?
N14 O14 Co4 104.2(3) . 2_666 ?
Co1 O14 Co4 98.72(14) 2_666 2_666 ?
N13 O13 Co2 120.0(3) . 2_666 ?
C21 C11 N21 117.7(5) . . ?
C21 C11 C61 121.4(5) . . ?
N21 C11 C61 120.8(5) . . ?
C31 C21 C11 118.2(5) . . ?
C31 C21 H21 120.9 . . ?
C11 C21 H21 120.9 . . ?
C21 C31 C41 122.1(5) . . ?
C21 C31 H31 119.0 . . ?
C41 C31 H31 119.0 . . ?
C51 C41 C31 118.7(5) . . ?
C51 C41 H41 120.7 . . ?
C31 C41 H41 120.7 . . ?
C41 C51 C61 122.3(5) . . ?
C41 C51 H51 118.8 . . ?
C61 C51 H51 118.8 . . ?
N31 C61 C11 123.0(5) . . ?
N31 C61 C51 119.8(5) . . ?
C11 C61 C51 117.2(5) . . ?
N31 C71 C151 123.3(5) . . ?
C151 C71 C81 107.7(4) . . ?
C91 C81 C131 121.9(5) . . ?
C131 C81 C71 108.1(4) . . ?
C81 C91 C101 117.6(5) . . ?
C81 C91 H91 121.2 . . ?
C101 C91 H91 121.2 . . ?
C111 C101 C91 120.7(5) . . ?
C111 C101 H101 119.7 . . ?
C91 C101 H101 119.7 . . ?
C121 C111 C101 121.1(5) . . ?
C121 C111 H111 119.4 . . ?
C101 C111 H111 119.4 . . ?
C131 C121 C111 118.8(5) . . ?
C131 C121 H121 120.6 . . ?
C111 C121 H121 120.6 . . ?
C121 C131 C81 119.8(5) . . ?
C81 C131 C141 110.1(5) . . ?
N11 C141 C131 133.5(5) . . ?
N11 C141 C151 120.9(5) . . ?
C131 C141 C151 104.5(4) . . ?
N21 C151 C141 126.2(5) . . ?
C71 C151 C141 109.0(4) . . ?
N12 O12 Co4 113.4(3) . . ?
N12 O12 Co1 107.6(3) . . ?
Co4 O12 Co1 97.07(14) . . ?
Co4 O12 Co3 113.90(15) . . ?
Co1 O12 Co3 93.80(13) . . ?
C142 N12 O12 116.3(5) . . ?
C152 N22 C12 116.7(6) . . ?
C152 N22 Co3 116.8(4) . . ?
C12 N22 Co3 126.5(5) . . ?
C72 N32 C62 114.8(7) . . ?
N22 C12 C22 122.0(7) . . ?
N22 C12 C62 120.6(7) . . ?
C22 C12 C62 117.4(7) . . ?
C32 C22 C12 123.5(8) . . ?
C32 C22 H22 118.2 . . ?
C12 C22 H22 118.2 . . ?
C22 C32 C42 117.6(8) . . ?
C22 C32 H32 121.2 . . ?
C42 C32 H32 121.2 . . ?
C52 C42 C32 121.3(9) . . ?
C52 C42 H42 119.3 . . ?
C32 C42 H42 119.3 . . ?
C42 C52 C62 120.3(10) . . ?
C42 C52 H52 119.9 . . ?
C62 C52 H52 119.9 . . ?
N32 C62 C52 116.6(9) . . ?
N32 C62 C12 123.5(8) . . ?
C52 C62 C12 119.9(9) . . ?
N32 C72 C82 130.4(8) . . ?
N32 C72 C152 120.8(8) . . ?
C82 C72 C152 108.8(7) . . ?
C92 C82 C132 119.8(9) . . ?
C92 C82 C72 130.9(9) . . ?
C132 C82 C72 109.4(7) . . ?
C102 C92 C82 121.6(10) . . ?
C102 C92 H92 119.2 . . ?
C82 C92 H92 119.2 . . ?
C92 C102 C112 117.8(10) . . ?
C92 C102 H102 121.1 . . ?
C112 C102 H102 121.1 . . ?
C122 C112 C102 123.3(9) . . ?
C122 C112 H112 118.4 . . ?
C102 C112 H112 118.4 . . ?
C132 C122 C112 117.7(8) . . ?
C132 C122 H122 121.2 . . ?
C112 C122 H122 121.2 . . ?
C122 C132 C82 119.8(7) . . ?
C122 C132 C142 133.7(8) . . ?
C82 C132 C142 106.5(7) . . ?
N12 C142 C132 119.5(7) . . ?
C132 C142 C152 110.1(6) . . ?
N22 C152 C142 131.8(6) . . ?
N22 C152 C72 123.3(7) . . ?
C142 C152 C72 105.0(7) . . ?
C143 N13 O13 116.5(4) . . ?
C143 N13 Co4 109.3(3) . . ?
C153 N23 Co4 105.2(3) . . ?
C13 N23 Co4 139.7(4) . . ?
C73 N33 C63 113.0(4) . . ?
N23 C13 C63 120.5(5) . . ?
N23 C13 C23 119.8(5) . . ?
C63 C13 C23 119.7(5) . . ?
C33 C23 C13 118.9(5) . . ?
C33 C23 H23 120.5 . . ?
C13 C23 H23 120.5 . . ?
C43 C33 C23 122.0(5) . . ?
C43 C33 H33 119.0 . . ?
C23 C33 H33 119.0 . . ?
C33 C43 C53 121.3(5) . . ?
C33 C43 H43 119.4 . . ?
C53 C43 H43 119.4 . . ?
C43 C53 C63 118.3(5) . . ?
C43 C53 H53 120.8 . . ?
C63 C53 H53 120.8 . . ?
C13 C63 C53 119.8(5) . . ?
N33 C63 C53 116.0(5) . . ?
N33 C73 C153 122.7(5) . . ?
N33 C73 C83 130.0(5) . . ?
C153 C73 C83 107.4(5) . . ?
C93 C83 C133 120.3(5) . . ?
C93 C83 C73 130.7(5) . . ?
C133 C83 C73 108.9(4) . . ?
C103 C93 C83 118.5(5) . . ?
C103 C93 H93 120.8 . . ?
C83 C93 H93 120.8 . . ?
C113 C103 C93 120.9(5) . . ?
C113 C103 H103 119.5 . . ?
C93 C103 H103 119.5 . . ?
C123 C113 C103 121.6(5) . . ?
C123 C113 H113 119.2 . . ?
C103 C113 H113 119.2 . . ?
C113 C123 C133 118.4(5) . . ?
C113 C123 H123 120.8 . . ?
C133 C123 H123 120.8 . . ?
C123 C133 C83 120.4(5) . . ?
C123 C133 C143 131.7(5) . . ?
C83 C133 C143 107.8(4) . . ?
N13 C143 C153 117.7(5) . . ?
N13 C143 C133 135.6(4) . . ?
C153 C143 C133 106.7(5) . . ?
N23 C153 C73 125.3(4) . . ?
N23 C153 C143 125.4(5) . . ?
C73 C153 C143 109.2(5) . . ?
O14 N14 C144 117.8(4) . . ?
O14 N14 Co2 126.9(4) . . ?
C144 N14 Co2 115.3(4) . . ?
C154 N24 C14 113.0(5) . . ?
C154 N24 Co2 103.5(3) . . ?
C14 N24 Co2 143.5(4) . . ?
C74 N34 C64 115.4(5) . . ?
N24 C14 C24 120.2(5) . . ?
N24 C14 C64 120.9(5) . . ?
C24 C14 C64 118.9(5) . . ?
C34 C24 C14 121.3(5) . . ?
C34 C24 H24 119.4 . . ?
C14 C24 H24 119.4 . . ?
C24 C34 C44 119.3(5) . . ?
C24 C34 H34 120.3 . . ?
C44 C34 H34 120.3 . . ?
C54 C44 C34 121.7(6) . . ?
C54 C44 H44 119.2 . . ?
C34 C44 H44 119.2 . . ?
C44 C54 C64 120.0(6) . . ?
C44 C54 H54 120.0 . . ?
C64 C54 H54 120.0 . . ?
C54 C64 N34 118.9(5) . . ?
C54 C64 C14 118.8(5) . . ?
N34 C64 C14 122.2(5) . . ?
N34 C74 C84 131.0(5) . . ?
N34 C74 C154 119.7(5) . . ?
C84 C74 C154 109.3(5) . . ?
C94 C84 C134 120.3(5) . . ?
C94 C84 C74 130.9(5) . . ?
C134 C84 C74 108.5(5) . . ?
C84 C94 C104 118.9(5) . . ?
C84 C94 H94 120.5 . . ?
C104 C94 H94 120.5 . . ?
C94 C104 C114 120.9(6) . . ?
C94 C104 H104 119.5 . . ?
C114 C104 H104 119.5 . . ?
C124 C114 C104 119.6(5) . . ?
C124 C114 H114 120.2 . . ?
C104 C114 H114 120.2 . . ?
C134 C124 C114 119.9(5) . . ?
C134 C124 H124 120.0 . . ?
C114 C124 H124 120.0 . . ?
C124 C134 C84 120.2(5) . . ?
C124 C134 C144 132.9(6) . . ?
C84 C134 C144 106.8(5) . . ?
N14 C144 C134 135.1(6) . . ?
N14 C144 C154 113.6(5) . . ?
C134 C144 C154 111.2(5) . . ?
N24 C154 C74 128.7(5) . . ?
N24 C154 C144 127.3(5) . . ?
C74 C154 C144 103.9(5) . . ?
N15 O15 Co3 115.8(3) . . ?
O15 N15 C145 117.6(4) . . ?
C145 N15 Co4 112.4(3) . . ?
C155 N25 C15 112.9(4) . . ?
C155 N25 Co4 104.7(3) . . ?
C15 N25 Co4 142.0(3) . . ?
C75 N35 C65 113.6(4) . . ?
N25 C15 C25 119.7(4) . . ?
N25 C15 C65 121.1(4) . . ?
C25 C15 C65 119.2(4) . . ?
C35 C25 C15 119.9(5) . . ?
C35 C25 H25 120.0 . . ?
C15 C25 H25 120.0 . . ?
C25 C35 C45 121.4(5) . . ?
C25 C35 H35 119.3 . . ?
C45 C35 H35 119.3 . . ?
C55 C45 C35 119.4(5) . . ?
C55 C45 H45 120.3 . . ?
C35 C45 H45 120.3 . . ?
C45 C55 C65 121.3(5) . . ?
C45 C55 H55 119.4 . . ?
C65 C55 H55 119.4 . . ?
N35 C65 C55 117.8(4) . . ?
N35 C65 C15 123.6(4) . . ?
C55 C65 C15 118.5(4) . . ?
N35 C75 C155 122.6(4) . . ?
N35 C75 C85 130.1(5) . . ?
C155 C75 C85 107.4(4) . . ?
C95 C85 C135 120.1(4) . . ?
C95 C85 C75 130.7(4) . . ?
C135 C85 C75 108.9(4) . . ?
C85 C95 C105 118.7(5) . . ?
C85 C95 H95 120.7 . . ?
C105 C95 H95 120.7 . . ?
C95 C105 C115 121.3(5) . . ?
C95 C105 H105 119.4 . . ?
C115 C105 H105 119.4 . . ?
C125 C115 C105 120.8(5) . . ?
C125 C115 H115 119.6 . . ?
C105 C115 H115 119.6 . . ?
C115 C125 C135 117.7(5) . . ?
C115 C125 H125 121.2 . . ?
C135 C125 H125 121.2 . . ?
C125 C135 C85 121.4(4) . . ?
C125 C135 C145 130.8(4) . . ?
C85 C135 C145 107.7(4) . . ?
N15 C145 C155 116.2(4) . . ?
N15 C145 C135 135.9(4) . . ?
C155 C145 C135 107.8(4) . . ?
N25 C155 C75 126.1(4) . . ?
N25 C155 C145 125.7(4) . . ?
C75 C155 C145 108.1(4) . . ?
C16 O16 Co2 123.8(3) . . ?
C16 O26 Co3 106.3(3) . . ?
C16 O26 Co1 130.6(3) . . ?
Co3 O26 Co1 97.29(14) . . ?
C26 N16 Co3 109.7(3) . . ?
C26 N16 H16A 109.7 . . ?
Co3 N16 H16A 109.7 . . ?
C26 N16 H16B 109.7 . . ?
Co3 N16 H16B 109.7 . . ?
H16A N16 H16B 108.2 . . ?
O16 C16 C26 122.3(4) . . ?
O26 C16 C26 113.5(4) . . ?
N16 C26 C16 104.8(4) . . ?
N16 C26 C46 110.8(4) . . ?
C16 C26 C46 112.6(4) . . ?
N16 C26 C36 110.3(4) . . ?
C16 C26 C36 108.4(4) . . ?
C46 C26 C36 109.9(4) . . ?
C26 C36 H36A 109.5 . . ?
C26 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C26 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C26 C46 H46A 109.5 . . ?
C26 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C26 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C1M O1M Co1 114.6(2) . 2_666 ?
C1M O1M Co2 115.7(2) . 2_666 ?
Co1 O1M Co2 91.10(12) 2_666 2_666 ?
C1M O1M Co1 119.2(2) . . ?
Co1 O1M Co1 99.38(12) 2_666 . ?
Co2 O1M Co1 112.13(13) 2_666 . ?
O1M C1M H1M1 109.5 . . ?
O1M C1M H1M2 109.5 . . ?
H1M1 C1M H1M2 109.5 . . ?
O1M C1M H1M3 109.5 . . ?
H1M1 C1M H1M3 109.5 . . ?
H1M2 C1M H1M3 109.5 . . ?
O1 Cl1 O4 115.3(6) . . ?
O1 Cl1 O3 103.5(5) . . ?
O4 Cl1 O3 110.4(9) . . ?
O1 Cl1 O2 107.7(5) . . ?
O4 Cl1 O2 109.7(9) . . ?
O3 Cl1 O2 110.0(5) . . ?
Cl1 O3 O3W 138.7(8) . . ?
O8 Cl2 O6 119.3(15) . . ?
O8 Cl2 O5 122.3(16) . . ?
O6 Cl2 O5 110.2(9) . . ?
O8 Cl2 O7 97.0(16) . . ?
O6 Cl2 O7 109.4(11) . . ?
O5 Cl2 O7 92.5(9) . . ?
C2M O2M H2M 109.5 . . ?
O2M C2M H2M1 109.5 . . ?
O2M C2M H2M2 109.5 . . ?
H2M1 C2M H2M2 109.5 . . ?
O2M C2M H2M3 109.5 . . ?
H2M1 C2M H2M3 109.5 . . ?
H2M2 C2M H2M3 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
O11 Co1 Co2 O13 -179.18(16) . . . 2_666 ?
O1M Co1 Co2 O13 21.09(16) 2_666 . . 2_666 ?
O14 Co1 Co2 O13 -18.4(2) 2_666 . . 2_666 ?
O1M Co1 Co2 O13 88.19(15) . . . 2_666 ?
O26 Co1 Co2 O13 -84.54(15) . . . 2_666 ?
O12 Co1 Co2 O13 -152.72(16) . . . 2_666 ?
O11 Co1 Co2 N14 77.07(18) . . . . ?
O1M Co1 Co2 N14 -82.66(18) 2_666 . . . ?
O14 Co1 Co2 N14 -122.14(17) 2_666 . . . ?
O1M Co1 Co2 N14 -15.56(16) . . . . ?
O26 Co1 Co2 N14 171.71(16) . . . . ?
O12 Co1 Co2 N14 103.53(18) . . . . ?
O11 Co1 Co2 O16 -97.16(14) . . . . ?
O1M Co1 Co2 O16 103.12(14) 2_666 . . . ?
O14 Co1 Co2 O16 63.63(17) 2_666 . . . ?
O1M Co1 Co2 O16 170.21(11) . . . . ?
O26 Co1 Co2 O16 -2.52(12) . . . . ?
O12 Co1 Co2 O16 -70.70(15) . . . . ?
O11 Co1 Co2 O1M 159.73(15) . . . 2_666 ?
O14 Co1 Co2 O1M -39.48(18) 2_666 . . 2_666 ?
O1M Co1 Co2 O1M 67.10(16) . . . 2_666 ?
O26 Co1 Co2 O1M -105.63(14) . . . 2_666 ?
O12 Co1 Co2 O1M -173.82(16) . . . 2_666 ?
O1M Co1 Co2 O11 -159.73(15) 2_666 . . . ?
O14 Co1 Co2 O11 160.79(19) 2_666 . . . ?
O1M Co1 Co2 O11 -92.63(14) . . . . ?
O26 Co1 Co2 O11 94.64(14) . . . . ?
O12 Co1 Co2 O11 26.46(16) . . . . ?
O11 Co1 Co2 N24 -3.71(17) . . . . ?
O1M Co1 Co2 N24 -163.43(17) 2_666 . . . ?
O14 Co1 Co2 N24 157.1(2) 2_666 . . . ?
O1M Co1 Co2 N24 -96.34(16) . . . . ?
O26 Co1 Co2 N24 90.93(17) . . . . ?
O12 Co1 Co2 N24 22.75(18) . . . . ?
C141 N11 O11 Co1 156.5(3) . . . . ?
C141 N11 O11 Co2 -106.4(4) . . . . ?
O1M Co1 O11 N11 127.9(2) 2_666 . . . ?
O14 Co1 O11 N11 -19.3(6) 2_666 . . . ?
O1M Co1 O11 N11 -151.5(2) . . . . ?
O26 Co1 O11 N11 36.8(2) . . . . ?
O12 Co1 O11 N11 -46.3(3) . . . . ?
Co2 Co1 O11 N11 113.8(3) . . . . ?
O1M Co1 O11 Co2 14.10(10) 2_666 . . . ?
O14 Co1 O11 Co2 -133.0(4) 2_666 . . . ?
O1M Co1 O11 Co2 94.73(11) . . . . ?
O26 Co1 O11 Co2 -76.97(11) . . . . ?
O12 Co1 O11 Co2 -160.02(12) . . . . ?
N14 Co2 O11 N11 144.3(3) . . . . ?
O16 Co2 O11 N11 -31.5(2) . . . . ?
O1M Co2 O11 N11 -126.0(2) 2_666 . . . ?
N24 Co2 O11 N11 65.1(3) . . . . ?
Co1 Co2 O11 N11 -112.0(3) . . . . ?
N14 Co2 O11 Co1 -103.67(16) . . . . ?
O16 Co2 O11 Co1 80.53(12) . . . . ?
O1M Co2 O11 Co1 -14.01(10) 2_666 . . . ?
N24 Co2 O11 Co1 177.05(13) . . . . ?
C151 N21 C11 C21 178.9(4) . . . . ?
C151 N21 C11 C61 2.2(6) . . . . ?
N21 C11 C21 C31 -175.4(4) . . . . ?
C61 C11 C21 C31 1.2(7) . . . . ?
C11 C21 C31 C41 -2.7(8) . . . . ?
C21 C31 C41 C51 3.1(8) . . . . ?
C31 C41 C51 C61 -2.1(8) . . . . ?
C71 N31 C61 C11 2.2(7) . . . . ?
C71 N31 C61 C51 -178.2(5) . . . . ?
C21 C11 C61 N31 179.3(5) . . . . ?
N21 C11 C61 N31 -4.2(7) . . . . ?
C21 C11 C61 C51 -0.3(7) . . . . ?
N21 C11 C61 C51 176.2(5) . . . . ?
C41 C51 C61 N31 -178.9(5) . . . . ?
C41 C51 C61 C11 0.7(8) . . . . ?
C61 N31 C71 C151 1.3(7) . . . . ?
C61 N31 C71 C81 177.7(5) . . . . ?
N31 C71 C81 C91 10.5(9) . . . . ?
C151 C71 C81 C91 -172.7(5) . . . . ?
N31 C71 C81 C131 -172.3(5) . . . . ?
C151 C71 C81 C131 4.5(5) . . . . ?
C131 C81 C91 C101 -3.2(7) . . . . ?
C71 C81 C91 C101 173.7(5) . . . . ?
C81 C91 C101 C111 0.8(8) . . . . ?
C91 C101 C111 C121 1.7(8) . . . . ?
C101 C111 C121 C131 -1.7(7) . . . . ?
C111 C121 C131 C81 -0.8(7) . . . . ?
C111 C121 C131 C141 -174.3(5) . . . . ?
C91 C81 C131 C121 3.3(7) . . . . ?
C71 C81 C131 C121 -174.2(4) . . . . ?
C91 C81 C131 C141 178.0(4) . . . . ?
C71 C81 C131 C141 0.5(5) . . . . ?
O11 N11 C141 C131 -7.9(7) . . . . ?
O11 N11 C141 C151 158.1(4) . . . . ?
C121 C131 C141 N11 -23.3(9) . . . . ?
C81 C131 C141 N11 162.6(5) . . . . ?
C121 C131 C141 C151 169.0(5) . . . . ?
C81 C131 C141 C151 -5.0(5) . . . . ?
C11 N21 C151 C71 1.2(7) . . . . ?
C11 N21 C151 C141 -170.0(4) . . . . ?
N31 C71 C151 N21 -3.2(8) . . . . ?
C81 C71 C151 N21 179.7(4) . . . . ?
N31 C71 C151 C141 169.3(5) . . . . ?
C81 C71 C151 C141 -7.7(5) . . . . ?
N11 C141 C151 N21 10.6(7) . . . . ?
C131 C141 C151 N21 -179.8(4) . . . . ?
N11 C141 C151 C71 -161.8(4) . . . . ?
C131 C141 C151 C71 7.8(5) . . . . ?
N15 Co4 O12 N12 148.0(3) . . . . ?
O14 Co4 O12 N12 -127.0(3) 2_666 . . . ?
N23 Co4 O12 N12 50.7(3) . . . . ?
N25 Co4 O12 N12 167.2(5) . . . . ?
N15 Co4 O12 Co1 -99.26(15) . . . . ?
N23 Co4 O12 Co1 163.40(14) . . . . ?
N13 Co4 O12 Co1 82.81(16) . . . . ?
N25 Co4 O12 Co1 -80.1(5) . . . . ?
N15 Co4 O12 Co3 -1.90(16) . . . . ?
O14 Co4 O12 Co3 83.09(16) 2_666 . . . ?
N23 Co4 O12 Co3 -99.25(17) . . . . ?
N13 Co4 O12 Co3 -179.84(16) . . . . ?
N25 Co4 O12 Co3 17.3(6) . . . . ?
O11 Co1 O12 N12 -55.4(3) . . . . ?
O14 Co1 O12 N12 132.0(3) 2_666 . . . ?
O1M Co1 O12 N12 41.5(3) . . . . ?
O26 Co1 O12 N12 -140.3(3) . . . . ?
Co2 Co1 O12 N12 -74.8(3) . . . . ?
O11 Co1 O12 Co4 -172.79(13) . . . . ?
O14 Co1 O12 Co4 14.58(13) 2_666 . . . ?
O1M Co1 O12 Co4 -75.93(14) . . . . ?
O26 Co1 O12 Co4 102.27(14) . . . . ?
Co2 Co1 O12 Co4 167.86(5) . . . . ?
O11 Co1 O12 Co3 72.54(12) . . . . ?
O14 Co1 O12 Co3 -100.09(14) 2_666 . . . ?
O1M Co1 O12 Co3 169.40(11) . . . . ?
O26 Co1 O12 Co3 -12.40(11) . . . . ?
Co2 Co1 O12 Co3 53.18(15) . . . . ?
O15 Co3 O12 N12 -140.9(3) . . . . ?
O26 Co3 O12 N12 127.0(3) . . . . ?
N16 Co3 O12 N12 114.3(5) . . . . ?
N22 Co3 O12 N12 -42.4(3) . . . . ?
O15 Co3 O12 Co4 5.25(16) . . . . ?
O26 Co3 O12 Co4 -86.88(16) . . . . ?
N16 Co3 O12 Co4 -99.6(5) . . . . ?
N22 Co3 O12 Co4 103.73(18) . . . . ?
O15 Co3 O12 Co1 104.71(13) . . . . ?
O26 Co3 O12 Co1 12.58(11) . . . . ?
N16 Co3 O12 Co1 -0.1(5) . . . . ?
N22 Co3 O12 Co1 -156.81(15) . . . . ?
Co4 O12 N12 C142 -114.7(4) . . . . ?
Co1 O12 N12 C142 139.2(4) . . . . ?
Co3 O12 N12 C142 31.6(5) . . . . ?
O15 Co3 N22 C152 120.9(4) . . . . ?
O26 Co3 N22 C152 -18.1(8) . . . . ?
N16 Co3 N22 C152 -145.2(4) . . . . ?
O12 Co3 N22 C152 28.1(4) . . . . ?
O15 Co3 N22 C12 -61.0(4) . . . . ?
O26 Co3 N22 C12 160.0(5) . . . . ?
N16 Co3 N22 C12 32.9(4) . . . . ?
O12 Co3 N22 C12 -153.9(4) . . . . ?
C152 N22 C12 C22 -173.1(5) . . . . ?
Co3 N22 C12 C22 8.9(7) . . . . ?
C152 N22 C12 C62 4.0(7) . . . . ?
Co3 N22 C12 C62 -174.0(4) . . . . ?
N22 C12 C22 C32 176.8(5) . . . . ?
C62 C12 C22 C32 -0.4(9) . . . . ?
C12 C22 C32 C42 1.8(10) . . . . ?
C22 C32 C42 C52 -0.8(12) . . . . ?
C32 C42 C52 C62 -1.5(13) . . . . ?
C72 N32 C62 C52 176.4(5) . . . . ?
C72 N32 C62 C12 -3.9(9) . . . . ?
C42 C52 C62 N32 -177.4(8) . . . . ?
C42 C52 C62 C12 3.0(11) . . . . ?
N22 C12 C62 N32 1.1(9) . . . . ?
C22 C12 C62 N32 178.4(6) . . . . ?
N22 C12 C62 C52 -179.2(5) . . . . ?
C22 C12 C62 C52 -2.0(8) . . . . ?
C62 N32 C72 C82 -176.8(6) . . . . ?
C62 N32 C72 C152 1.8(8) . . . . ?
N32 C72 C82 C92 -0.8(11) . . . . ?
C152 C72 C82 C92 -179.5(6) . . . . ?
N32 C72 C82 C132 178.1(5) . . . . ?
C152 C72 C82 C132 -0.7(7) . . . . ?
C132 C82 C92 C102 0.9(11) . . . . ?
C72 C82 C92 C102 179.7(8) . . . . ?
C82 C92 C102 C112 0.5(13) . . . . ?
C92 C102 C112 C122 -0.5(13) . . . . ?
C102 C112 C122 C132 -1.1(11) . . . . ?
C112 C122 C132 C82 2.5(9) . . . . ?
C112 C122 C132 C142 -176.0(6) . . . . ?
C92 C82 C132 C122 -2.5(9) . . . . ?
C72 C82 C132 C122 178.5(5) . . . . ?
C92 C82 C132 C142 176.3(5) . . . . ?
C72 C82 C132 C142 -2.7(6) . . . . ?
O12 N12 C142 C132 170.3(4) . . . . ?
O12 N12 C142 C152 3.3(8) . . . . ?
C122 C132 C142 N12 14.4(10) . . . . ?
C82 C132 C142 N12 -164.2(5) . . . . ?
C122 C132 C142 C152 -176.3(6) . . . . ?
C82 C132 C142 C152 5.1(6) . . . . ?
C12 N22 C152 C142 172.0(5) . . . . ?
Co3 N22 C152 C142 -9.8(8) . . . . ?
C12 N22 C152 C72 -6.2(7) . . . . ?
Co3 N22 C152 C72 172.0(4) . . . . ?
N12 C142 C152 N22 -15.9(9) . . . . ?
C132 C142 C152 N22 176.2(5) . . . . ?
N12 C142 C152 C72 162.5(5) . . . . ?
C132 C142 C152 C72 -5.4(6) . . . . ?
N32 C72 C152 N22 3.4(8) . . . . ?
C82 C72 C152 N22 -177.8(5) . . . . ?
N32 C72 C152 C142 -175.2(5) . . . . ?
C82 C72 C152 C142 3.7(6) . . . . ?
Co2 O13 N13 C143 -154.8(3) 2_666 . . . ?
O12 Co4 N13 C143 76.3(3) . . . . ?
O14 Co4 N13 C143 157.6(3) 2_666 . . . ?
N23 Co4 N13 C143 -10.9(3) . . . . ?
N25 Co4 N13 C143 -107.7(3) . . . . ?
O12 Co4 N13 O13 -97.2(3) . . . . ?
O14 Co4 N13 O13 -15.9(4) 2_666 . . . ?
N23 Co4 N13 O13 175.6(4) . . . . ?
N25 Co4 N13 O13 78.8(4) . . . . ?
O12 Co4 N23 C153 -86.5(3) . . . . ?
N15 Co4 N23 C153 -172.6(3) . . . . ?
O14 Co4 N23 C153 -74.8(8) 2_666 . . . ?
N13 Co4 N23 C153 9.9(3) . . . . ?
N25 Co4 N23 C153 105.8(3) . . . . ?
O12 Co4 N23 C13 80.9(4) . . . . ?
N15 Co4 N23 C13 -5.1(4) . . . . ?
O14 Co4 N23 C13 92.6(8) 2_666 . . . ?
N13 Co4 N23 C13 177.3(4) . . . . ?
N25 Co4 N23 C13 -86.8(4) . . . . ?
C153 N23 C13 C63 -0.3(6) . . . . ?
Co4 N23 C13 C63 -166.9(3) . . . . ?
C153 N23 C13 C23 -179.0(4) . . . . ?
Co4 N23 C13 C23 14.3(7) . . . . ?
N23 C13 C23 C33 178.9(4) . . . . ?
C63 C13 C23 C33 0.1(7) . . . . ?
C13 C23 C33 C43 -0.4(7) . . . . ?
C23 C33 C43 C53 0.6(8) . . . . ?
C33 C43 C53 C63 -0.4(7) . . . . ?
N23 C13 C63 N33 1.6(7) . . . . ?
C23 C13 C63 N33 -179.7(4) . . . . ?
N23 C13 C63 C53 -178.8(4) . . . . ?
C23 C13 C63 C53 0.0(7) . . . . ?
C73 N33 C63 C13 -1.0(6) . . . . ?
C73 N33 C63 C53 179.4(4) . . . . ?
C43 C53 C63 C13 0.2(7) . . . . ?
C43 C53 C63 N33 179.9(4) . . . . ?
C63 N33 C73 C153 -0.7(6) . . . . ?
C63 N33 C73 C83 178.6(4) . . . . ?
N33 C73 C83 C93 -3.9(8) . . . . ?
C153 C73 C83 C93 175.5(5) . . . . ?
N33 C73 C83 C133 179.9(4) . . . . ?
C153 C73 C83 C133 -0.7(5) . . . . ?
C133 C83 C93 C103 0.1(7) . . . . ?
C73 C83 C93 C103 -175.8(4) . . . . ?
C83 C93 C103 C113 0.4(7) . . . . ?
C93 C103 C113 C123 -0.5(8) . . . . ?
C103 C113 C123 C133 0.0(7) . . . . ?
C113 C123 C133 C83 0.5(7) . . . . ?
C113 C123 C133 C143 175.7(5) . . . . ?
C93 C83 C133 C123 -0.6(7) . . . . ?
C73 C83 C133 C123 176.1(4) . . . . ?
C93 C83 C133 C143 -176.8(4) . . . . ?
C73 C83 C133 C143 -0.1(5) . . . . ?
O13 N13 C143 C153 -175.5(3) . . . . ?
Co4 N13 C143 C153 9.7(5) . . . . ?
O13 N13 C143 C133 7.4(7) . . . . ?
Co4 N13 C143 C133 -167.3(4) . . . . ?
C123 C133 C143 N13 2.5(9) . . . . ?
C83 C133 C143 N13 178.2(5) . . . . ?
C123 C133 C143 C153 -174.8(4) . . . . ?
C83 C133 C143 C153 0.9(5) . . . . ?
C13 N23 C153 C73 -1.5(6) . . . . ?
Co4 N23 C153 C73 169.6(4) . . . . ?
C13 N23 C153 C143 -179.9(4) . . . . ?
Co4 N23 C153 C143 -8.7(5) . . . . ?
N33 C73 C153 N23 2.1(7) . . . . ?
C83 C73 C153 N23 -177.3(4) . . . . ?
N33 C73 C153 C143 -179.3(4) . . . . ?
C83 C73 C153 C143 1.3(5) . . . . ?
N13 C143 C153 N23 -0.6(7) . . . . ?
C133 C143 C153 N23 177.3(4) . . . . ?
N13 C143 C153 C73 -179.2(4) . . . . ?
C133 C143 C153 C73 -1.3(5) . . . . ?
Co1 O14 N14 C144 151.5(3) 2_666 . . . ?
Co4 O14 N14 C144 -102.1(4) 2_666 . . . ?
Co4 O14 N14 Co2 80.1(3) 2_666 . . . ?
O13 Co2 N14 O14 -74.7(4) 2_666 . . . ?
O1M Co2 N14 O14 17.9(4) 2_666 . . . ?
O11 Co2 N14 O14 104.4(4) . . . . ?
N24 Co2 N14 O14 -171.1(4) . . . . ?
Co1 Co2 N14 O14 61.6(4) . . . . ?
O13 Co2 N14 C144 107.4(3) 2_666 . . . ?
O1M Co2 N14 C144 -160.0(3) 2_666 . . . ?
O11 Co2 N14 C144 -73.5(3) . . . . ?
N24 Co2 N14 C144 11.0(3) . . . . ?
Co1 Co2 N14 C144 -116.3(3) . . . . ?
O13 Co2 N24 C154 -101.2(3) 2_666 . . . ?
N14 Co2 N24 C154 -7.3(3) . . . . ?
O16 Co2 N24 C154 169.2(3) . . . . ?
O1M Co2 N24 C154 30.6(7) 2_666 . . . ?
O11 Co2 N24 C154 79.4(3) . . . . ?
Co1 Co2 N24 C154 82.0(3) . . . . ?
O13 Co2 N24 C14 81.5(5) 2_666 . . . ?
N14 Co2 N24 C14 175.4(5) . . . . ?
O16 Co2 N24 C14 -8.2(5) . . . . ?
O1M Co2 N24 C14 -146.8(5) 2_666 . . . ?
O11 Co2 N24 C14 -97.9(5) . . . . ?
Co1 Co2 N24 C14 -95.3(5) . . . . ?
C154 N24 C14 C24 -174.9(4) . . . . ?
Co2 N24 C14 C24 2.3(8) . . . . ?
C154 N24 C14 C64 4.1(6) . . . . ?
Co2 N24 C14 C64 -178.7(4) . . . . ?
N24 C14 C24 C34 179.4(5) . . . . ?
C64 C14 C24 C34 0.4(7) . . . . ?
C14 C24 C34 C44 -0.1(8) . . . . ?
C24 C34 C44 C54 0.5(8) . . . . ?
C34 C44 C54 C64 -1.2(9) . . . . ?
C44 C54 C64 N34 -176.6(5) . . . . ?
C44 C54 C64 C14 1.5(8) . . . . ?
C74 N34 C64 C54 176.4(5) . . . . ?
C74 N34 C64 C14 -1.6(7) . . . . ?
N24 C14 C64 C54 179.9(5) . . . . ?
C24 C14 C64 C54 -1.1(7) . . . . ?
N24 C14 C64 N34 -2.0(7) . . . . ?
C24 C14 C64 N34 176.9(4) . . . . ?
C64 N34 C74 C84 -177.5(5) . . . . ?
C64 N34 C74 C154 2.8(7) . . . . ?
N34 C74 C84 C94 7.1(9) . . . . ?
C154 C74 C84 C94 -173.2(5) . . . . ?
N34 C74 C84 C134 -178.8(5) . . . . ?
C154 C74 C84 C134 0.9(6) . . . . ?
C134 C84 C94 C104 -1.5(7) . . . . ?
C74 C84 C94 C104 172.0(5) . . . . ?
C84 C94 C104 C114 0.5(8) . . . . ?
C94 C104 C114 C124 1.4(8) . . . . ?
C104 C114 C124 C134 -2.5(8) . . . . ?
C114 C124 C134 C84 1.5(8) . . . . ?
C114 C124 C134 C144 -174.5(5) . . . . ?
C94 C84 C134 C124 0.5(7) . . . . ?
C74 C84 C134 C124 -174.3(4) . . . . ?
C94 C84 C134 C144 177.4(4) . . . . ?
C74 C84 C134 C144 2.6(5) . . . . ?
O14 N14 C144 C134 -5.9(8) . . . . ?
Co2 N14 C144 C134 172.2(5) . . . . ?
O14 N14 C144 C154 169.3(4) . . . . ?
Co2 N14 C144 C154 -12.6(5) . . . . ?
C124 C134 C144 N14 -13.6(10) . . . . ?
C84 C134 C144 N14 170.0(5) . . . . ?
C124 C134 C144 C154 171.1(5) . . . . ?
C84 C134 C144 C154 -5.3(5) . . . . ?
C14 N24 C154 C74 -3.1(7) . . . . ?
Co2 N24 C154 C74 178.6(4) . . . . ?
C14 N24 C154 C144 -178.5(5) . . . . ?
Co2 N24 C154 C144 3.2(6) . . . . ?
N34 C74 C154 N24 -0.5(8) . . . . ?
C84 C74 C154 N24 179.8(5) . . . . ?
N34 C74 C154 C144 175.8(4) . . . . ?
C84 C74 C154 C144 -4.0(5) . . . . ?
N14 C144 C154 N24 5.6(7) . . . . ?
C134 C144 C154 N24 -178.0(5) . . . . ?
N14 C144 C154 C74 -170.7(4) . . . . ?
C134 C144 C154 C74 5.7(5) . . . . ?
O26 Co3 O15 N15 75.2(3) . . . . ?
N16 Co3 O15 N15 155.8(3) . . . . ?
N22 Co3 O15 N15 -95.2(3) . . . . ?
O12 Co3 O15 N15 -8.3(3) . . . . ?
Co3 O15 N15 C145 -165.6(3) . . . . ?
Co3 O15 N15 Co4 9.9(5) . . . . ?
O12 Co4 N15 O15 -4.9(4) . . . . ?
O14 Co4 N15 O15 -85.8(4) 2_666 . . . ?
N23 Co4 N15 O15 82.8(4) . . . . ?
N25 Co4 N15 O15 179.6(4) . . . . ?
O12 Co4 N15 C145 170.8(3) . . . . ?
O14 Co4 N15 C145 89.9(3) 2_666 . . . ?
N23 Co4 N15 C145 -101.5(3) . . . . ?
N25 Co4 N15 C145 -4.7(3) . . . . ?
O12 Co4 N25 C155 -15.6(7) . . . . ?
N15 Co4 N25 C155 3.8(3) . . . . ?
N23 Co4 N25 C155 99.8(3) . . . . ?
N13 Co4 N25 C155 -178.5(3) . . . . ?
O12 Co4 N25 C15 155.3(5) . . . . ?
N15 Co4 N25 C15 174.7(5) . . . . ?
O14 Co4 N25 C15 90.9(5) 2_666 . . . ?
N23 Co4 N25 C15 -89.2(5) . . . . ?
N13 Co4 N25 C15 -7.5(5) . . . . ?
C155 N25 C15 C25 174.7(4) . . . . ?
Co4 N25 C15 C25 4.2(7) . . . . ?
C155 N25 C15 C65 -3.9(6) . . . . ?
Co4 N25 C15 C65 -174.4(3) . . . . ?
N25 C15 C25 C35 -178.7(4) . . . . ?
C65 C15 C25 C35 -0.1(6) . . . . ?
C15 C25 C35 C45 -3.9(7) . . . . ?
C25 C35 C45 C55 4.7(7) . . . . ?
C35 C45 C55 C65 -1.6(7) . . . . ?
C75 N35 C65 C55 -178.2(4) . . . . ?
C75 N35 C65 C15 -1.0(6) . . . . ?
C45 C55 C65 N35 175.1(4) . . . . ?
C45 C55 C65 C15 -2.3(7) . . . . ?
N25 C15 C65 N35 4.5(7) . . . . ?
C25 C15 C65 N35 -174.2(4) . . . . ?
N25 C15 C65 C55 -178.3(4) . . . . ?
C25 C15 C65 C55 3.0(6) . . . . ?
C65 N35 C75 C155 -2.5(6) . . . . ?
C65 N35 C75 C85 175.2(4) . . . . ?
N35 C75 C85 C95 -5.4(8) . . . . ?
C155 C75 C85 C95 172.6(5) . . . . ?
N35 C75 C85 C135 -179.2(4) . . . . ?
C155 C75 C85 C135 -1.2(5) . . . . ?
C135 C85 C95 C105 0.1(7) . . . . ?
C75 C85 C95 C105 -173.1(5) . . . . ?
C85 C95 C105 C115 -0.8(7) . . . . ?
C95 C105 C115 C125 -0.2(8) . . . . ?
C105 C115 C125 C135 1.8(7) . . . . ?
C115 C125 C135 C85 -2.6(7) . . . . ?
C115 C125 C135 C145 173.3(5) . . . . ?
C95 C85 C135 C125 1.6(7) . . . . ?
C75 C85 C135 C125 176.2(4) . . . . ?
C95 C85 C135 C145 -175.1(4) . . . . ?
C75 C85 C135 C145 -0.5(5) . . . . ?
O15 N15 C145 C155 -179.1(4) . . . . ?
Co4 N15 C145 C155 4.7(5) . . . . ?
O15 N15 C145 C135 6.4(7) . . . . ?
Co4 N15 C145 C135 -169.9(4) . . . . ?
C125 C135 C145 N15 0.6(9) . . . . ?
C85 C135 C145 N15 176.9(5) . . . . ?
C125 C135 C145 C155 -174.3(5) . . . . ?
C85 C135 C145 C155 2.1(5) . . . . ?
C15 N25 C155 C75 0.5(6) . . . . ?
Co4 N25 C155 C75 174.5(4) . . . . ?
C15 N25 C155 C145 -176.7(4) . . . . ?
Co4 N25 C155 C145 -2.8(5) . . . . ?
N35 C75 C155 N25 3.0(7) . . . . ?
C85 C75 C155 N25 -175.2(4) . . . . ?
N35 C75 C155 C145 -179.4(4) . . . . ?
C85 C75 C155 C145 2.4(5) . . . . ?
N15 C145 C155 N25 -1.2(7) . . . . ?
C135 C145 C155 N25 174.9(4) . . . . ?
N15 C145 C155 C75 -178.8(4) . . . . ?
C135 C145 C155 C75 -2.8(5) . . . . ?
O13 Co2 O16 C16 144.4(4) 2_666 . . . ?
O1M Co2 O16 C16 51.8(4) 2_666 . . . ?
O11 Co2 O16 C16 -34.7(4) . . . . ?
N24 Co2 O16 C16 -118.4(4) . . . . ?
Co1 Co2 O16 C16 8.9(3) . . . . ?
O15 Co3 O26 C16 117.9(3) . . . . ?
N16 Co3 O26 C16 27.4(3) . . . . ?
N22 Co3 O26 C16 -102.6(6) . . . . ?
O12 Co3 O26 C16 -149.0(3) . . . . ?
O15 Co3 O26 Co1 -106.03(13) . . . . ?
N16 Co3 O26 Co1 163.47(14) . . . . ?
N22 Co3 O26 Co1 33.5(6) . . . . ?
O12 Co3 O26 Co1 -12.91(11) . . . . ?
O11 Co1 O26 C16 45.4(4) . . . . ?
O1M Co1 O26 C16 -45.2(4) 2_666 . . . ?
O14 Co1 O26 C16 -148.0(4) 2_666 . . . ?
O12 Co1 O26 C16 131.7(4) . . . . ?
Co2 Co1 O26 C16 -2.5(4) . . . . ?
O11 Co1 O26 Co3 -73.39(13) . . . . ?
O14 Co1 O26 Co3 93.21(13) 2_666 . . . ?
O12 Co1 O26 Co3 12.93(11) . . . . ?
Co2 Co1 O26 Co3 -121.35(11) . . . . ?
O15 Co3 N16 C26 -90.8(3) . . . . ?
O26 Co3 N16 C26 1.6(3) . . . . ?
N22 Co3 N16 C26 169.8(3) . . . . ?
O12 Co3 N16 C26 14.4(6) . . . . ?
Co2 O16 C16 O26 -13.8(7) . . . . ?
Co2 O16 C16 C26 164.7(3) . . . . ?
Co3 O26 C16 O16 125.6(4) . . . . ?
Co1 O26 C16 O16 10.5(7) . . . . ?
Co3 O26 C16 C26 -53.0(4) . . . . ?
Co1 O26 C16 C26 -168.2(3) . . . . ?
Co3 N16 C26 C16 -25.7(4) . . . . ?
Co3 N16 C26 C46 -147.3(3) . . . . ?
Co3 N16 C26 C36 90.8(4) . . . . ?
O26 C16 C26 N16 54.3(5) . . . . ?
O16 C16 C26 C46 -3.9(7) . . . . ?
O26 C16 C26 C46 174.8(4) . . . . ?
O26 C16 C26 C36 -63.4(5) . . . . ?
O11 Co1 O1M C1M 35.7(3) . . . . ?
O1M Co1 O1M C1M 125.1(3) 2_666 . . . ?
O14 Co1 O1M C1M -132.4(3) 2_666 . . . ?
O12 Co1 O1M C1M -52.0(3) . . . . ?
Co2 Co1 O1M C1M 84.1(3) . . . . ?
O11 Co1 O1M Co1 -89.41(13) . . . 2_666 ?
O1M Co1 O1M Co1 0.0 2_666 . . 2_666 ?
O14 Co1 O1M Co1 102.52(13) 2_666 . . 2_666 ?
O12 Co1 O1M Co1 -177.06(11) . . . 2_666 ?
Co2 Co1 O1M Co1 -41.03(10) . . . 2_666 ?
O11 Co1 O1M Co2 175.53(13) . . . 2_666 ?
O1M Co1 O1M Co2 -95.06(16) 2_666 . . 2_666 ?
O14 Co1 O1M Co2 7.46(15) 2_666 . . 2_666 ?
O12 Co1 O1M Co2 87.88(15) . . . 2_666 ?
Co2 Co1 O1M Co2 -136.08(11) . . . 2_666 ?
O1 Cl1 O3 O3W -11.9(13) . . . . ?
O4 Cl1 O3 O3W -135.8(12) . . . . ?
O2 Cl1 O3 O3W 102.9(11) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N16 H16A O5 0.92 2.24 3.156(15) 174.3 .
N16 H16A O8 0.92 2.33 3.21(2) 158.3 2_565
N16 H16B N21 0.92 2.20 2.994(6) 144.8 .

_diffrn_measured_fraction_theta_max 0.824
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.683
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.083

# start Validation Reply Form
_vrf_PLAT221_at581ba             
;
PROBLEM: Large Solvent/Anion  O     Ueq(max)/Ueq(min) ...        5.8 Ratio
RESPONSE: Normal in case of disorder.
;
_vrf_CELLZ01_at581ba             
;
PROBLEM: There is a discrepancy between the atom counts in the    
RESPONSE: Due to disorder part of solvent water molecules without hydrogen atoms 
;
# end Validation Reply Form
_database_code_depnum_ccdc_archive 'CCDC 989909'
