#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:40:45 +0100 (vie 25 de mar de 2016) $
#$Revision: 179857 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/53/7015378.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7015378
loop_
_publ_author_name
'Seidler-Egdal, Rune Kirk'
'Johansson, Frank B.'
'Veltzé, Sune'
'Skou, Eivind M.'
'Bond, Andrew D.'
'McKenzie, Christine J.'
_publ_section_title
;
 Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III)
 (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3336
_journal_page_last               3345
_journal_paper_doi               10.1039/c0dt01552k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety
;
C33 H31 Co2 N6 O9 S2 +, Cl O4 -, 2(C2 H3 N)
;
_chemical_formula_sum            'C37 H37 Cl Co2 N8 O13 S2'
_chemical_formula_weight         1019.18
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                110.606(2)
_cell_angle_beta                 94.929(3)
_cell_angle_gamma                97.080(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3915(3)
_cell_length_b                   13.2868(4)
_cell_length_c                   18.5255(8)
_cell_measurement_reflns_used    5690
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      24.75
_cell_measurement_theta_min      2.54
_cell_volume                     2126.37(14)
_computing_cell_refinement       'SAINT v.7.06a (Bruker, 2003)'
_computing_data_collection       'APEX2 v.1.0-22 (Bruker Nonius, 2004)'
_computing_data_reduction        'SAINT v.7.06a'
_computing_molecular_graphics    'SHELXTL v.6.10'
_computing_publication_material  'SHELXTL v.6.10'
_computing_structure_refinement  'SHELXTL v.6.10'
_computing_structure_solution    'SHELXTL v.6.10 (Sheldrick, 2000)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker-Nonius X8APEX-II CCD'
_diffrn_measurement_method       'thin-slice ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            59834
_diffrn_reflns_theta_full        25.92
_diffrn_reflns_theta_max         25.92
_diffrn_reflns_theta_min         3.52
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.015
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lath
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.935
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         8133
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0557P)²+1.3766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1086
_reflns_number_gt                6069
_reflns_number_total             8133
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c0dt01552k.txt
_cod_data_source_block           4_2MeCN
_cod_original_cell_volume        2126.37(13)
_cod_database_code               7015378
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.50286(4) 0.33399(3) 0.22011(2) 0.01853(11) Uani 1 1 d . . .
Co2 Co 0.52712(4) 0.59605(3) 0.36052(2) 0.01864(12) Uani 1 1 d . . .
S1 S 0.15261(8) 0.29956(6) 0.23725(5) 0.02275(18) Uani 1 1 d . . .
S2 S 0.44917(8) 0.66945(6) 0.21262(4) 0.02073(17) Uani 1 1 d . . .
O11 O 0.0117(2) 0.23522(18) 0.20664(14) 0.0336(6) Uani 1 1 d . . .
O12 O 0.1973(2) 0.33731(17) 0.31902(12) 0.0278(5) Uani 1 1 d . . .
O21 O 0.4112(2) 0.75076(17) 0.18402(12) 0.0287(5) Uani 1 1 d . . .
O22 O 0.5654(2) 0.61447(17) 0.18320(11) 0.0242(5) Uani 1 1 d . . .
O1 O 0.4140(2) 0.47359(15) 0.26147(11) 0.0178(4) Uani 1 1 d . . .
O2 O 0.7061(2) 0.40565(17) 0.21965(12) 0.0272(5) Uani 1 1 d . . .
O3 O 0.7226(2) 0.56694(17) 0.31863(12) 0.0265(5) Uani 1 1 d . . .
O4 O 0.5451(2) 0.33760(17) 0.33435(12) 0.0279(5) Uani 1 1 d . . .
O5 O 0.5493(2) 0.50397(17) 0.42505(12) 0.0275(5) Uani 1 1 d . . .
N1 N 0.2803(3) 0.22733(19) 0.19491(14) 0.0204(5) Uani 1 1 d . . .
N2 N 0.4321(3) 0.31225(19) 0.10298(14) 0.0222(6) Uani 1 1 d . . .
N3 N 0.5471(3) 0.17466(19) 0.19406(14) 0.0226(6) Uani 1 1 d . . .
N4 N 0.4952(3) 0.72570(19) 0.31120(14) 0.0199(5) Uani 1 1 d . . .
N5 N 0.3252(3) 0.6373(2) 0.39476(14) 0.0230(6) Uani 1 1 d . . .
N6 N 0.6606(3) 0.7379(2) 0.44181(14) 0.0227(6) Uani 1 1 d . . .
C1 C 0.2963(3) 0.4850(2) 0.22342(16) 0.0176(6) Uani 1 1 d . . .
C2 C 0.1675(3) 0.4087(2) 0.20303(17) 0.0201(6) Uani 1 1 d . . .
C3 C 0.0449(3) 0.4196(2) 0.16043(17) 0.0229(7) Uani 1 1 d . . .
H3A H -0.0388 0.3651 0.1466 0.027 Uiso 1 1 calc R . .
C4 C 0.0425(3) 0.5090(3) 0.13765(17) 0.0244(7) Uani 1 1 d . . .
C5 C 0.1668(3) 0.5864(3) 0.15834(17) 0.0237(7) Uani 1 1 d . . .
H5A H 0.1675 0.6485 0.1442 0.028 Uiso 1 1 calc R . .
C6 C 0.2910(3) 0.5747(2) 0.19959(16) 0.0194(6) Uani 1 1 d . . .
C7 C -0.0920(3) 0.5220(3) 0.0931(2) 0.0350(8) Uani 1 1 d . . .
H7A H -0.1450 0.4497 0.0600 0.052 Uiso 1 1 d R . .
H7B H -0.0640 0.5633 0.0605 0.052 Uiso 1 1 d R . .
H7C H -0.1540 0.5610 0.1296 0.052 Uiso 1 1 d R . .
C8 C 0.2420(3) 0.1762(3) 0.10895(17) 0.0260(7) Uani 1 1 d . . .
H8A H 0.1353 0.1639 0.0957 0.031 Uiso 1 1 calc R . .
H8B H 0.2741 0.1043 0.0907 0.031 Uiso 1 1 calc R . .
C9 C 0.3086(3) 0.2435(2) 0.06657(17) 0.0229(7) Uani 1 1 d . . .
C10 C 0.2493(4) 0.2302(3) -0.00743(18) 0.0328(8) Uani 1 1 d . . .
H10A H 0.1612 0.1816 -0.0314 0.039 Uiso 1 1 calc R . .
C11 C 0.3203(4) 0.2889(3) -0.0464(2) 0.0380(9) Uani 1 1 d . . .
H11A H 0.2816 0.2810 -0.0976 0.046 Uiso 1 1 calc R . .
C12 C 0.4475(4) 0.3588(3) -0.0098(2) 0.0387(9) Uani 1 1 d . . .
H12A H 0.4989 0.3989 -0.0356 0.046 Uiso 1 1 calc R . .
C13 C 0.4990(4) 0.3694(3) 0.06479(18) 0.0300(8) Uani 1 1 d . . .
H13A H 0.5853 0.4193 0.0904 0.036 Uiso 1 1 calc R . .
C14 C 0.3082(3) 0.1450(2) 0.23044(19) 0.0256(7) Uani 1 1 d . . .
H14A H 0.2267 0.0832 0.2120 0.031 Uiso 1 1 calc R . .
H14B H 0.3166 0.1787 0.2879 0.031 Uiso 1 1 calc R . .
C15 C 0.4471(3) 0.1045(2) 0.20730(17) 0.0241(7) Uani 1 1 d . . .
C16 C 0.4708(4) 0.0016(3) 0.2021(2) 0.0329(8) Uani 1 1 d . . .
H16A H 0.3981 -0.0472 0.2111 0.039 Uiso 1 1 calc R . .
C17 C 0.6020(4) -0.0283(3) 0.1835(2) 0.0396(9) Uani 1 1 d . . .
H17A H 0.6216 -0.0979 0.1806 0.048 Uiso 1 1 calc R . .
C18 C 0.7041(4) 0.0425(3) 0.1692(2) 0.0367(8) Uani 1 1 d . . .
H18A H 0.7945 0.0224 0.1555 0.044 Uiso 1 1 calc R . .
C19 C 0.6733(3) 0.1437(3) 0.17494(19) 0.0288(7) Uani 1 1 d . . .
H19A H 0.7440 0.1930 0.1650 0.035 Uiso 1 1 calc R . .
C20 C 0.3826(3) 0.7869(2) 0.35028(18) 0.0251(7) Uani 1 1 d . . .
H20A H 0.3303 0.8137 0.3138 0.030 Uiso 1 1 calc R . .
H20B H 0.4304 0.8509 0.3962 0.030 Uiso 1 1 calc R . .
C21 C 0.2756(3) 0.7167(2) 0.37598(17) 0.0223(7) Uani 1 1 d . . .
C22 C 0.1347(3) 0.7362(3) 0.38167(18) 0.0312(8) Uani 1 1 d . . .
H22A H 0.1024 0.7927 0.3676 0.037 Uiso 1 1 calc R . .
C23 C 0.0418(4) 0.6719(3) 0.4082(2) 0.0385(9) Uani 1 1 d . . .
H23A H -0.0554 0.6836 0.4127 0.046 Uiso 1 1 calc R . .
C24 C 0.0921(4) 0.5907(3) 0.42800(19) 0.0363(9) Uani 1 1 d . . .
H24A H 0.0302 0.5459 0.4465 0.044 Uiso 1 1 calc R . .
C25 C 0.2336(3) 0.5752(3) 0.42066(17) 0.0281(7) Uani 1 1 d . . .
H25A H 0.2677 0.5190 0.4343 0.034 Uiso 1 1 calc R . .
C26 C 0.6402(3) 0.7977(3) 0.33229(18) 0.0254(7) Uani 1 1 d . . .
H26A H 0.6305 0.8679 0.3264 0.031 Uiso 1 1 calc R . .
H26B H 0.7079 0.7623 0.2971 0.031 Uiso 1 1 calc R . .
C27 C 0.6987(3) 0.8178(2) 0.41559(18) 0.0253(7) Uani 1 1 d . . .
C28 C 0.7908(4) 0.9127(3) 0.4615(2) 0.0366(8) Uani 1 1 d . . .
H28A H 0.8159 0.9685 0.4417 0.044 Uiso 1 1 calc R . .
C29 C 0.8460(4) 0.9257(3) 0.5362(2) 0.0413(9) Uani 1 1 d . . .
H29A H 0.9089 0.9906 0.5688 0.050 Uiso 1 1 calc R . .
C30 C 0.8080(4) 0.8427(3) 0.5628(2) 0.0367(8) Uani 1 1 d . . .
H30A H 0.8455 0.8490 0.6137 0.044 Uiso 1 1 calc R . .
C31 C 0.7150(3) 0.7507(3) 0.51443(18) 0.0291(7) Uani 1 1 d . . .
H31A H 0.6883 0.6940 0.5332 0.035 Uiso 1 1 calc R . .
C32 C 0.7704(3) 0.4965(3) 0.26661(18) 0.0269(7) Uani 1 1 d . . .
H32A H 0.8694 0.5141 0.2618 0.032 Uiso 1 1 calc R . .
C33 C 0.5530(3) 0.4043(3) 0.40199(18) 0.0253(7) Uani 1 1 d . . .
H33A H 0.5634 0.3751 0.4418 0.030 Uiso 1 1 calc R . .
Cl1 Cl 0.00547(9) 0.88887(7) 0.23611(5) 0.0358(2) Uani 1 1 d . . .
O1A O 0.1514(3) 0.9039(3) 0.26902(19) 0.0657(9) Uani 1 1 d . . .
O1B O -0.0034(4) 0.9132(4) 0.1684(2) 0.0969(13) Uani 1 1 d . . .
O1C O -0.0615(5) 0.7794(3) 0.2180(3) 0.1177(15) Uani 1 1 d . . .
O1D O -0.0729(4) 0.9561(4) 0.2912(2) 0.1064(15) Uani 1 1 d . . .
N1S N 0.1050(15) 0.9291(10) -0.0108(7) 0.140(4) Uiso 0.50 1 d PD A -1
C1S C 0.1641(12) 0.8790(9) 0.0219(6) 0.074(3) Uiso 0.50 1 d PD A -1
C2S C 0.194(3) 0.7849(16) 0.0424(14) 0.228(12) Uiso 0.50 1 d PD A -1
H2S1 H 0.1326 0.7186 0.0053 0.343 Uiso 0.50 1 d PR A -1
H2S2 H 0.1721 0.7960 0.0952 0.343 Uiso 0.50 1 d PR A -1
H2S3 H 0.2960 0.7775 0.0399 0.343 Uiso 0.50 1 d PR A -1
N1S' N 0.2484(11) 0.8200(9) 0.0209(6) 0.088(3) Uiso 0.50 1 d PD B -2
C1S' C 0.3422(18) 0.8847(15) 0.0134(12) 0.181(8) Uiso 0.50 1 d PD B -2
C2S' C 0.4599(17) 0.9592(12) 0.0026(10) 0.134(6) Uiso 0.50 1 d PD B -2
H2S4 H 0.4795 1.0279 0.0477 0.202 Uiso 0.50 1 d PR B -2
H2S5 H 0.4301 0.9736 -0.0443 0.202 Uiso 0.50 1 d PR B -2
H2S6 H 0.5477 0.9260 -0.0035 0.202 Uiso 0.50 1 d PR B -2
N2S N 0.7661(11) 0.1780(8) 0.3811(5) 0.065(2) Uiso 0.50 1 d PD C 1
C3S C 0.6707(13) 0.1344(10) 0.4090(7) 0.062(3) Uiso 0.50 1 d PD C 1
C4S C 0.5547(11) 0.0848(9) 0.4372(6) 0.075(3) Uiso 0.50 1 d PD C 1
H7S H 0.5040 0.1414 0.4688 0.113 Uiso 0.50 1 d PR C 1
H8S H 0.5936 0.0466 0.4691 0.113 Uiso 0.50 1 d PR C 1
H9S H 0.4869 0.0328 0.3929 0.113 Uiso 0.50 1 d PR C 1
N2S' N 0.6197(11) 0.1180(7) 0.4234(5) 0.062(2) Uiso 0.50 1 d PD D 2
C3S' C 0.7153(15) 0.1622(12) 0.3980(9) 0.081(3) Uiso 0.50 1 d PD D 2
C4S' C 0.8261(11) 0.2153(9) 0.3652(6) 0.072(3) Uiso 0.50 1 d PD D 2
H10S H 0.8663 0.1591 0.3261 0.108 Uiso 0.50 1 d PR D 2
H11S H 0.9037 0.2607 0.4070 0.108 Uiso 0.50 1 d PR D 2
H12S H 0.7827 0.2609 0.3408 0.108 Uiso 0.50 1 d PR D 2
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'
S S 0.1246 0.1234 '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'
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
O2 Co1 O1 97.58(8) . . ?
O2 Co1 O4 94.43(9) . . ?
O1 Co1 O4 89.66(8) . . ?
O2 Co1 N3 97.20(9) . . ?
O1 Co1 N3 163.21(9) . . ?
O4 Co1 N3 81.30(9) . . ?
O2 Co1 N2 93.97(9) . . ?
O1 Co1 N2 91.83(8) . . ?
O4 Co1 N2 171.20(9) . . ?
N3 Co1 N2 95.04(9) . . ?
O2 Co1 N1 167.60(8) . . ?
O1 Co1 N1 91.45(8) . . ?
O4 Co1 N1 94.10(8) . . ?
N3 Co1 N1 75.24(9) . . ?
N2 Co1 N1 77.20(9) . . ?
O5 Co2 O1 97.01(8) . . ?
O5 Co2 O3 91.81(9) . . ?
O1 Co2 O3 90.73(8) . . ?
O5 Co2 N6 95.46(9) . . ?
O1 Co2 N6 165.83(9) . . ?
O3 Co2 N6 82.15(9) . . ?
O5 Co2 N5 95.13(9) . . ?
O1 Co2 N5 88.36(8) . . ?
O3 Co2 N5 173.06(9) . . ?
N6 Co2 N5 97.23(9) . . ?
O5 Co2 N4 168.18(9) . . ?
O1 Co2 N4 92.26(8) . . ?
O3 Co2 N4 95.41(8) . . ?
N6 Co2 N4 76.33(9) . . ?
N5 Co2 N4 77.76(9) . . ?
O12 S1 O11 118.33(14) . . ?
O12 S1 N1 106.04(12) . . ?
O11 S1 N1 109.41(13) . . ?
O12 S1 C2 111.27(13) . . ?
O11 S1 C2 107.93(14) . . ?
N1 S1 C2 102.73(12) . . ?
O22 S2 O21 118.17(13) . . ?
O22 S2 N4 105.96(12) . . ?
O21 S2 N4 109.64(12) . . ?
O22 S2 C6 110.56(13) . . ?
O21 S2 C6 107.97(13) . . ?
N4 S2 C6 103.56(13) . . ?
C1 O1 Co1 120.62(17) . . ?
C1 O1 Co2 122.88(17) . . ?
Co1 O1 Co2 116.38(9) . . ?
C32 O2 Co1 126.45(19) . . ?
C32 O3 Co2 139.3(2) . . ?
C33 O4 Co1 138.0(2) . . ?
C33 O5 Co2 127.85(19) . . ?
C8 N1 C14 111.8(2) . . ?
C8 N1 S1 111.92(19) . . ?
C14 N1 S1 110.96(18) . . ?
C8 N1 Co1 107.34(17) . . ?
C14 N1 Co1 102.38(17) . . ?
S1 N1 Co1 112.04(12) . . ?
C9 N2 C13 117.9(3) . . ?
C9 N2 Co1 118.54(19) . . ?
C13 N2 Co1 123.4(2) . . ?
C19 N3 C15 118.7(3) . . ?
C19 N3 Co1 124.5(2) . . ?
C15 N3 Co1 116.20(19) . . ?
C20 N4 C26 110.8(2) . . ?
C20 N4 S2 111.99(19) . . ?
C26 N4 S2 110.50(18) . . ?
C20 N4 Co2 108.50(17) . . ?
C26 N4 Co2 103.97(17) . . ?
S2 N4 Co2 110.75(12) . . ?
C21 N5 C25 118.2(3) . . ?
C21 N5 Co2 117.54(19) . . ?
C25 N5 Co2 123.1(2) . . ?
C27 N6 C31 118.6(3) . . ?
C27 N6 Co2 115.9(2) . . ?
C31 N6 Co2 125.5(2) . . ?
O1 C1 C2 122.5(3) . . ?
O1 C1 C6 122.0(3) . . ?
C2 C1 C6 115.5(3) . . ?
C3 C2 C1 122.1(3) . . ?
C3 C2 S1 117.4(2) . . ?
C1 C2 S1 120.4(2) . . ?
C2 C3 C4 121.3(3) . . ?
C2 C3 H3A 119.4 . . ?
C4 C3 H3A 119.4 . . ?
C5 C4 C3 117.8(3) . . ?
C5 C4 C7 121.1(3) . . ?
C3 C4 C7 121.2(3) . . ?
C4 C5 C6 121.2(3) . . ?
C4 C5 H5A 119.4 . . ?
C6 C5 H5A 119.4 . . ?
C5 C6 C1 122.2(3) . . ?
C5 C6 S2 117.1(2) . . ?
C1 C6 S2 120.4(2) . . ?
C4 C7 H7A 109.2 . . ?
C4 C7 H7B 109.3 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.9 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C9 113.4(2) . . ?
N1 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
N1 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
N2 C9 C10 122.5(3) . . ?
N2 C9 C8 116.4(3) . . ?
C10 C9 C8 121.0(3) . . ?
C9 C10 C11 119.0(3) . . ?
C9 C10 H10A 120.5 . . ?
C11 C10 H10A 120.5 . . ?
C12 C11 C10 118.9(3) . . ?
C12 C11 H11A 120.5 . . ?
C10 C11 H11A 120.5 . . ?
C11 C12 C13 118.9(3) . . ?
C11 C12 H12A 120.5 . . ?
C13 C12 H12A 120.5 . . ?
N2 C13 C12 122.8(3) . . ?
N2 C13 H13A 118.6 . . ?
C12 C13 H13A 118.6 . . ?
N1 C14 C15 109.0(2) . . ?
N1 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
N1 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
N3 C15 C16 122.0(3) . . ?
N3 C15 C14 116.3(3) . . ?
C16 C15 C14 121.6(3) . . ?
C17 C16 C15 118.5(3) . . ?
C17 C16 H16A 120.8 . . ?
C15 C16 H16A 120.8 . . ?
C18 C17 C16 119.8(3) . . ?
C18 C17 H17A 120.1 . . ?
C16 C17 H17A 120.1 . . ?
C17 C18 C19 118.7(3) . . ?
C17 C18 H18A 120.6 . . ?
C19 C18 H18A 120.6 . . ?
N3 C19 C18 122.2(3) . . ?
N3 C19 H19A 118.9 . . ?
C18 C19 H19A 118.9 . . ?
N4 C20 C21 111.8(2) . . ?
N4 C20 H20A 109.3 . . ?
C21 C20 H20A 109.3 . . ?
N4 C20 H20B 109.3 . . ?
C21 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
N5 C21 C22 122.4(3) . . ?
N5 C21 C20 116.6(3) . . ?
C22 C21 C20 120.9(3) . . ?
C21 C22 C23 118.8(3) . . ?
C21 C22 H22A 120.6 . . ?
C23 C22 H22A 120.6 . . ?
C24 C23 C22 119.1(3) . . ?
C24 C23 H23A 120.5 . . ?
C22 C23 H23A 120.5 . . ?
C23 C24 C25 119.2(3) . . ?
C23 C24 H24A 120.4 . . ?
C25 C24 H24A 120.4 . . ?
N5 C25 C24 122.2(3) . . ?
N5 C25 H25A 118.9 . . ?
C24 C25 H25A 118.9 . . ?
N4 C26 C27 109.1(2) . . ?
N4 C26 H26A 109.9 . . ?
C27 C26 H26A 109.9 . . ?
N4 C26 H26B 109.9 . . ?
C27 C26 H26B 109.9 . . ?
H26A C26 H26B 108.3 . . ?
N6 C27 C28 121.8(3) . . ?
N6 C27 C26 116.7(3) . . ?
C28 C27 C26 121.4(3) . . ?
C29 C28 C27 119.4(3) . . ?
C29 C28 H28A 120.3 . . ?
C27 C28 H28A 120.3 . . ?
C30 C29 C28 118.6(3) . . ?
C30 C29 H29A 120.7 . . ?
C28 C29 H29A 120.7 . . ?
C31 C30 C29 119.1(3) . . ?
C31 C30 H30A 120.5 . . ?
C29 C30 H30A 120.5 . . ?
N6 C31 C30 122.5(3) . . ?
N6 C31 H31A 118.8 . . ?
C30 C31 H31A 118.8 . . ?
O3 C32 O2 129.0(3) . . ?
O3 C32 H32A 115.5 . . ?
O2 C32 H32A 115.5 . . ?
O4 C33 O5 129.3(3) . . ?
O4 C33 H33A 115.4 . . ?
O5 C33 H33A 115.4 . . ?
O1B Cl1 O1A 110.6(2) . . ?
O1B Cl1 O1C 109.4(3) . . ?
O1A Cl1 O1C 110.0(2) . . ?
O1B Cl1 O1D 110.1(2) . . ?
O1A Cl1 O1D 109.9(2) . . ?
O1C Cl1 O1D 106.6(3) . . ?
N1S C1S C2S 158.5(15) . . ?
C1S C2S H2S1 109.0 . . ?
C1S C2S H2S2 109.7 . . ?
H2S1 C2S H2S2 109.5 . . ?
C1S C2S H2S3 109.7 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
C1S' N1S' H2S3 105.0 . . ?
N1S' C1S' C2S' 177(2) . . ?
C1S' C2S' H2S4 109.9 . . ?
C1S' C2S' H2S5 108.5 . . ?
H2S4 C2S' H2S5 109.5 . . ?
C1S' C2S' H2S6 109.9 . . ?
H2S4 C2S' H2S6 109.5 . . ?
H2S5 C2S' H2S6 109.5 . . ?
C3S N2S H10S 145.4 . . ?
C3S N2S H11S 140.3 . . ?
H10S N2S H11S 66.0 . . ?
N2S C3S C4S 176.3(11) . . ?
C3S C4S H7S 109.3 . . ?
C3S C4S H8S 109.8 . . ?
H7S C4S H8S 109.5 . . ?
C3S C4S H9S 109.3 . . ?
H7S C4S H9S 109.5 . . ?
H8S C4S H9S 109.5 . . ?
C3S' N2S' H7S 141.6 . . ?
C3S' N2S' H8S 142.9 . . ?
H7S N2S' H8S 66.5 . . ?
C3S' N2S' H9S 138.7 . . ?
H7S N2S' H9S 66.3 . . ?
H8S N2S' H9S 64.8 . . ?
N2S' C3S' C4S' 177.9(13) . . ?
C3S' C4S' H10S 109.1 . . ?
C3S' C4S' H11S 109.3 . . ?
H10S C4S' H11S 109.5 . . ?
C3S' C4S' H12S 110.1 . . ?
H10S C4S' H12S 109.5 . . ?
H11S C4S' H12S 109.5 . . ?
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 Co2 3.5028(6) . ?
Co1 O2 2.028(2) . ?
Co1 O1 2.0530(19) . ?
Co1 O4 2.102(2) . ?
Co1 N3 2.102(2) . ?
Co1 N2 2.121(2) . ?
Co1 N1 2.288(2) . ?
Co2 O5 2.005(2) . ?
Co2 O1 2.0689(19) . ?
Co2 O3 2.081(2) . ?
Co2 N6 2.118(2) . ?
Co2 N5 2.125(2) . ?
Co2 N4 2.254(2) . ?
S1 O12 1.424(2) . ?
S1 O11 1.433(2) . ?
S1 N1 1.700(2) . ?
S1 C2 1.771(3) . ?
S2 O22 1.428(2) . ?
S2 O21 1.429(2) . ?
S2 N4 1.704(2) . ?
S2 C6 1.765(3) . ?
O1 C1 1.313(3) . ?
O2 C32 1.253(4) . ?
O3 C32 1.245(4) . ?
O4 C33 1.244(4) . ?
O5 C33 1.246(4) . ?
N1 C8 1.485(4) . ?
N1 C14 1.499(4) . ?
N2 C9 1.343(4) . ?
N2 C13 1.345(4) . ?
N3 C19 1.338(4) . ?
N3 C15 1.340(4) . ?
N4 C20 1.494(4) . ?
N4 C26 1.499(4) . ?
N5 C21 1.343(4) . ?
N5 C25 1.351(4) . ?
N6 C27 1.338(4) . ?
N6 C31 1.341(4) . ?
C1 C2 1.408(4) . ?
C1 C6 1.414(4) . ?
C2 C3 1.391(4) . ?
C3 C4 1.396(4) . ?
C3 H3A 0.950 . ?
C4 C5 1.384(4) . ?
C4 C7 1.510(4) . ?
C5 C6 1.394(4) . ?
C5 H5A 0.950 . ?
C7 H7A 0.980 . ?
C7 H7B 0.980 . ?
C7 H7C 0.980 . ?
C8 C9 1.499(4) . ?
C8 H8A 0.990 . ?
C8 H8B 0.990 . ?
C9 C10 1.377(4) . ?
C10 C11 1.388(5) . ?
C10 H10A 0.950 . ?
C11 C12 1.375(5) . ?
C11 H11A 0.950 . ?
C12 C13 1.377(5) . ?
C12 H12A 0.950 . ?
C13 H13A 0.950 . ?
C14 C15 1.510(4) . ?
C14 H14A 0.990 . ?
C14 H14B 0.990 . ?
C15 C16 1.383(4) . ?
C16 C17 1.375(5) . ?
C16 H16A 0.950 . ?
C17 C18 1.368(5) . ?
C17 H17A 0.950 . ?
C18 C19 1.379(4) . ?
C18 H18A 0.950 . ?
C19 H19A 0.950 . ?
C20 C21 1.507(4) . ?
C20 H20A 0.990 . ?
C20 H20B 0.990 . ?
C21 C22 1.385(4) . ?
C22 C23 1.386(5) . ?
C22 H22A 0.950 . ?
C23 C24 1.377(5) . ?
C23 H23A 0.950 . ?
C24 C25 1.380(5) . ?
C24 H24A 0.950 . ?
C25 H25A 0.950 . ?
C26 C27 1.511(4) . ?
C26 H26A 0.990 . ?
C26 H26B 0.990 . ?
C27 C28 1.383(4) . ?
C28 C29 1.380(5) . ?
C28 H28A 0.950 . ?
C29 C30 1.379(5) . ?
C29 H29A 0.950 . ?
C30 C31 1.375(5) . ?
C30 H30A 0.950 . ?
C31 H31A 0.950 . ?
C32 H32A 0.950 . ?
C33 H33A 0.950 . ?
Cl1 O1B 1.400(3) . ?
Cl1 O1A 1.412(3) . ?
Cl1 O1C 1.421(4) . ?
Cl1 O1D 1.424(3) . ?
N1S C1S 1.198(8) . ?
C1S C2S 1.479(8) . ?
C2S H2S1 0.980 . ?
C2S H2S2 0.980 . ?
C2S H2S3 0.980 . ?
N1S' C1S' 1.205(8) . ?
C1S' C2S' 1.466(8) . ?
C2S' H2S4 0.980 . ?
C2S' H2S5 0.980 . ?
C2S' H2S6 0.980 . ?
N2S C3S 1.252(8) . ?
C3S C4S 1.434(8) . ?
C4S H7S 0.980 . ?
C4S H8S 0.980 . ?
C4S H9S 0.980 . ?
N2S' C3S' 1.228(8) . ?
C3S' C4S' 1.477(8) . ?
C4S' H10S 0.980 . ?
C4S' H11S 0.980 . ?
C4S' H12S 0.980 . ?
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
O2 Co1 O1 C1 126.0(2) . . . . ?
O4 Co1 O1 C1 -139.6(2) . . . . ?
N3 Co1 O1 C1 -82.5(4) . . . . ?
N2 Co1 O1 C1 31.8(2) . . . . ?
N1 Co1 O1 C1 -45.5(2) . . . . ?
O2 Co1 O1 Co2 -50.10(11) . . . . ?
O4 Co1 O1 Co2 44.33(10) . . . . ?
N3 Co1 O1 Co2 101.4(3) . . . . ?
N2 Co1 O1 Co2 -144.34(11) . . . . ?
N1 Co1 O1 Co2 138.43(10) . . . . ?
O5 Co2 O1 C1 133.0(2) . . . . ?
O3 Co2 O1 C1 -135.1(2) . . . . ?
N6 Co2 O1 C1 -75.6(4) . . . . ?
N5 Co2 O1 C1 38.0(2) . . . . ?
N4 Co2 O1 C1 -39.7(2) . . . . ?
O5 Co2 O1 Co1 -51.03(11) . . . . ?
O3 Co2 O1 Co1 40.89(10) . . . . ?
N6 Co2 O1 Co1 100.4(3) . . . . ?
N5 Co2 O1 Co1 -145.99(11) . . . . ?
N4 Co2 O1 Co1 136.33(10) . . . . ?
O1 Co1 O2 C32 33.0(3) . . . . ?
O4 Co1 O2 C32 -57.2(3) . . . . ?
N3 Co1 O2 C32 -139.0(3) . . . . ?
N2 Co1 O2 C32 125.4(3) . . . . ?
N1 Co1 O2 C32 169.4(4) . . . . ?
O5 Co2 O3 C32 83.4(3) . . . . ?
O1 Co2 O3 C32 -13.6(3) . . . . ?
N6 Co2 O3 C32 178.7(3) . . . . ?
N4 Co2 O3 C32 -106.0(3) . . . . ?
O2 Co1 O4 C33 80.4(3) . . . . ?
O1 Co1 O4 C33 -17.2(3) . . . . ?
N3 Co1 O4 C33 177.0(3) . . . . ?
N1 Co1 O4 C33 -108.6(3) . . . . ?
O1 Co2 O5 C33 27.3(3) . . . . ?
O3 Co2 O5 C33 -63.6(3) . . . . ?
N6 Co2 O5 C33 -145.9(3) . . . . ?
N5 Co2 O5 C33 116.3(3) . . . . ?
N4 Co2 O5 C33 168.7(4) . . . . ?
O12 S1 N1 C8 176.07(19) . . . . ?
O11 S1 N1 C8 47.4(2) . . . . ?
C2 S1 N1 C8 -67.1(2) . . . . ?
O12 S1 N1 C14 50.5(2) . . . . ?
O11 S1 N1 C14 -78.2(2) . . . . ?
C2 S1 N1 C14 167.3(2) . . . . ?
O12 S1 N1 Co1 -63.30(15) . . . . ?
O11 S1 N1 Co1 168.03(12) . . . . ?
C2 S1 N1 Co1 53.57(15) . . . . ?
O2 Co1 N1 C8 -26.5(5) . . . . ?
O1 Co1 N1 C8 110.36(18) . . . . ?
O4 Co1 N1 C8 -159.87(18) . . . . ?
N3 Co1 N1 C8 -79.99(18) . . . . ?
N2 Co1 N1 C8 18.81(18) . . . . ?
O2 Co1 N1 C14 91.3(4) . . . . ?
O1 Co1 N1 C14 -131.84(17) . . . . ?
O4 Co1 N1 C14 -42.07(17) . . . . ?
N3 Co1 N1 C14 37.81(17) . . . . ?
N2 Co1 N1 C14 136.61(18) . . . . ?
O2 Co1 N1 S1 -149.8(3) . . . . ?
O1 Co1 N1 S1 -12.89(13) . . . . ?
O4 Co1 N1 S1 76.87(13) . . . . ?
N3 Co1 N1 S1 156.75(15) . . . . ?
N2 Co1 N1 S1 -104.44(13) . . . . ?
O2 Co1 N2 C9 164.8(2) . . . . ?
O1 Co1 N2 C9 -97.5(2) . . . . ?
N3 Co1 N2 C9 67.2(2) . . . . ?
N1 Co1 N2 C9 -6.4(2) . . . . ?
O2 Co1 N2 C13 -20.0(2) . . . . ?
O1 Co1 N2 C13 77.7(2) . . . . ?
N3 Co1 N2 C13 -117.6(2) . . . . ?
N1 Co1 N2 C13 168.8(3) . . . . ?
O2 Co1 N3 C19 -7.1(3) . . . . ?
O1 Co1 N3 C19 -158.7(3) . . . . ?
O4 Co1 N3 C19 -100.5(3) . . . . ?
N2 Co1 N3 C19 87.5(2) . . . . ?
N1 Co1 N3 C19 162.9(3) . . . . ?
O2 Co1 N3 C15 164.3(2) . . . . ?
O1 Co1 N3 C15 12.8(5) . . . . ?
O4 Co1 N3 C15 70.9(2) . . . . ?
N2 Co1 N3 C15 -101.0(2) . . . . ?
N1 Co1 N3 C15 -25.7(2) . . . . ?
O22 S2 N4 C20 179.79(19) . . . . ?
O21 S2 N4 C20 51.2(2) . . . . ?
C6 S2 N4 C20 -63.8(2) . . . . ?
O22 S2 N4 C26 55.7(2) . . . . ?
O21 S2 N4 C26 -72.9(2) . . . . ?
C6 S2 N4 C26 172.12(19) . . . . ?
O22 S2 N4 Co2 -58.95(14) . . . . ?
O21 S2 N4 Co2 172.48(12) . . . . ?
C6 S2 N4 Co2 57.46(14) . . . . ?
O5 Co2 N4 C20 -36.7(5) . . . . ?
O1 Co2 N4 C20 104.96(18) . . . . ?
O3 Co2 N4 C20 -164.09(18) . . . . ?
N6 Co2 N4 C20 -83.54(18) . . . . ?
N5 Co2 N4 C20 17.14(18) . . . . ?
O5 Co2 N4 C26 81.3(5) . . . . ?
O1 Co2 N4 C26 -137.03(17) . . . . ?
O3 Co2 N4 C26 -46.09(18) . . . . ?
N6 Co2 N4 C26 34.46(17) . . . . ?
N5 Co2 N4 C26 135.14(18) . . . . ?
O5 Co2 N4 S2 -160.0(4) . . . . ?
O1 Co2 N4 S2 -18.34(12) . . . . ?
O3 Co2 N4 S2 72.61(12) . . . . ?
N6 Co2 N4 S2 153.16(14) . . . . ?
N5 Co2 N4 S2 -106.16(13) . . . . ?
O5 Co2 N5 C21 168.5(2) . . . . ?
O1 Co2 N5 C21 -94.6(2) . . . . ?
N6 Co2 N5 C21 72.3(2) . . . . ?
N4 Co2 N5 C21 -1.9(2) . . . . ?
O5 Co2 N5 C25 -24.3(2) . . . . ?
O1 Co2 N5 C25 72.6(2) . . . . ?
N6 Co2 N5 C25 -120.5(2) . . . . ?
N4 Co2 N5 C25 165.2(2) . . . . ?
O5 Co2 N6 C27 168.0(2) . . . . ?
O1 Co2 N6 C27 16.5(5) . . . . ?
O3 Co2 N6 C27 77.0(2) . . . . ?
N5 Co2 N6 C27 -96.1(2) . . . . ?
N4 Co2 N6 C27 -20.6(2) . . . . ?
O5 Co2 N6 C31 -8.0(2) . . . . ?
O1 Co2 N6 C31 -159.5(3) . . . . ?
O3 Co2 N6 C31 -99.1(2) . . . . ?
N5 Co2 N6 C31 87.9(2) . . . . ?
N4 Co2 N6 C31 163.4(2) . . . . ?
Co1 O1 C1 C2 54.9(3) . . . . ?
Co2 O1 C1 C2 -129.3(2) . . . . ?
Co1 O1 C1 C6 -124.6(2) . . . . ?
Co2 O1 C1 C6 51.2(3) . . . . ?
O1 C1 C2 C3 -177.8(3) . . . . ?
C6 C1 C2 C3 1.7(4) . . . . ?
O1 C1 C2 S1 6.7(4) . . . . ?
C6 C1 C2 S1 -173.8(2) . . . . ?
O12 S1 C2 C3 -126.4(2) . . . . ?
O11 S1 C2 C3 5.0(3) . . . . ?
N1 S1 C2 C3 120.5(2) . . . . ?
O12 S1 C2 C1 49.3(3) . . . . ?
O11 S1 C2 C1 -179.3(2) . . . . ?
N1 S1 C2 C1 -63.7(3) . . . . ?
C1 C2 C3 C4 -1.9(4) . . . . ?
S1 C2 C3 C4 173.7(2) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C2 C3 C4 C7 -178.5(3) . . . . ?
C3 C4 C5 C6 0.9(4) . . . . ?
C7 C4 C5 C6 179.9(3) . . . . ?
C4 C5 C6 C1 -1.0(5) . . . . ?
C4 C5 C6 S2 172.6(2) . . . . ?
O1 C1 C6 C5 179.2(3) . . . . ?
C2 C1 C6 C5 -0.3(4) . . . . ?
O1 C1 C6 S2 5.8(4) . . . . ?
C2 C1 C6 S2 -173.7(2) . . . . ?
O22 S2 C6 C5 -124.0(2) . . . . ?
O21 S2 C6 C5 6.7(3) . . . . ?
N4 S2 C6 C5 122.9(2) . . . . ?
O22 S2 C6 C1 49.8(3) . . . . ?
O21 S2 C6 C1 -179.5(2) . . . . ?
N4 S2 C6 C1 -63.3(3) . . . . ?
C14 N1 C8 C9 -140.2(3) . . . . ?
S1 N1 C8 C9 94.7(3) . . . . ?
Co1 N1 C8 C9 -28.7(3) . . . . ?
C13 N2 C9 C10 -0.1(4) . . . . ?
Co1 N2 C9 C10 175.3(2) . . . . ?
C13 N2 C9 C8 176.4(3) . . . . ?
Co1 N2 C9 C8 -8.1(3) . . . . ?
N1 C8 C9 N2 26.0(4) . . . . ?
N1 C8 C9 C10 -157.4(3) . . . . ?
N2 C9 C10 C11 0.8(5) . . . . ?
C8 C9 C10 C11 -175.6(3) . . . . ?
C9 C10 C11 C12 -0.2(5) . . . . ?
C10 C11 C12 C13 -1.0(5) . . . . ?
C9 N2 C13 C12 -1.2(5) . . . . ?
Co1 N2 C13 C12 -176.4(2) . . . . ?
C11 C12 C13 N2 1.8(5) . . . . ?
C8 N1 C14 C15 69.3(3) . . . . ?
S1 N1 C14 C15 -165.0(2) . . . . ?
Co1 N1 C14 C15 -45.3(3) . . . . ?
C19 N3 C15 C16 0.3(5) . . . . ?
Co1 N3 C15 C16 -171.7(2) . . . . ?
C19 N3 C15 C14 178.7(3) . . . . ?
Co1 N3 C15 C14 6.7(3) . . . . ?
N1 C14 C15 N3 29.2(4) . . . . ?
N1 C14 C15 C16 -152.4(3) . . . . ?
N3 C15 C16 C17 0.7(5) . . . . ?
C14 C15 C16 C17 -177.6(3) . . . . ?
C15 C16 C17 C18 -1.3(5) . . . . ?
C16 C17 C18 C19 1.0(6) . . . . ?
C15 N3 C19 C18 -0.6(5) . . . . ?
Co1 N3 C19 C18 170.6(3) . . . . ?
C17 C18 C19 N3 0.0(5) . . . . ?
C26 N4 C20 C21 -142.5(3) . . . . ?
S2 N4 C20 C21 93.6(3) . . . . ?
Co2 N4 C20 C21 -29.0(3) . . . . ?
C25 N5 C21 C22 -0.5(4) . . . . ?
Co2 N5 C21 C22 167.3(2) . . . . ?
C25 N5 C21 C20 177.7(3) . . . . ?
Co2 N5 C21 C20 -14.5(3) . . . . ?
N4 C20 C21 N5 29.9(4) . . . . ?
N4 C20 C21 C22 -151.8(3) . . . . ?
N5 C21 C22 C23 0.4(5) . . . . ?
C20 C21 C22 C23 -177.7(3) . . . . ?
C21 C22 C23 C24 -0.1(5) . . . . ?
C22 C23 C24 C25 -0.2(5) . . . . ?
C21 N5 C25 C24 0.2(4) . . . . ?
Co2 N5 C25 C24 -166.9(2) . . . . ?
C23 C24 C25 N5 0.1(5) . . . . ?
C20 N4 C26 C27 72.7(3) . . . . ?
S2 N4 C26 C27 -162.5(2) . . . . ?
Co2 N4 C26 C27 -43.7(3) . . . . ?
C31 N6 C27 C28 -0.7(4) . . . . ?
Co2 N6 C27 C28 -177.0(2) . . . . ?
C31 N6 C27 C26 177.3(3) . . . . ?
Co2 N6 C27 C26 1.0(3) . . . . ?
N4 C26 C27 N6 31.0(4) . . . . ?
N4 C26 C27 C28 -150.9(3) . . . . ?
N6 C27 C28 C29 0.4(5) . . . . ?
C26 C27 C28 C29 -177.5(3) . . . . ?
C27 C28 C29 C30 0.4(5) . . . . ?
C28 C29 C30 C31 -0.9(5) . . . . ?
C27 N6 C31 C30 0.1(4) . . . . ?
Co2 N6 C31 C30 176.1(2) . . . . ?
C29 C30 C31 N6 0.7(5) . . . . ?
Co2 O3 C32 O2 -5.1(6) . . . . ?
Co1 O2 C32 O3 -7.2(5) . . . . ?
Co1 O4 C33 O5 -7.4(5) . . . . ?
Co2 O5 C33 O4 0.5(5) . . . . ?
