#------------------------------------------------------------------------------
#$Date: 2019-11-23 11:45:19 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233151 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/55/7235584.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_7235584
loop_
_publ_author_name
'Canaj, Angelos B.'
'Nodaraki, Lydia E.'
'Ślepokura, Katarzyna'
'Siczek, Milosz'
'Tzimopoulos, Demetrios I.'
'Lis, Tadeusz'
'Milios, Constantinos J.'
_publ_section_title
;
 A family of polynuclear cobalt complexes upon employment of an
 indeno-quinoxaline based oxime ligand
;
_journal_issue                   44
_journal_name_full               'RSC Adv.'
_journal_page_first              23068
_journal_paper_doi               10.1039/C4RA01914H
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety
'C160 H102 Co8 N32 O16, 2(Cl O4), 6.8(C H4 O), 7(H2 O),'
_chemical_formula_sum            'C166.8 H143.2 Cl2 Co8 N32 O37.8'
_chemical_formula_weight         3743.07
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.15(2)
_cell_angle_beta                 109.88(3)
_cell_angle_gamma                105.02(2)
_cell_formula_units_Z            1
_cell_length_a                   15.597(4)
_cell_length_b                   16.743(5)
_cell_length_c                   18.000(5)
_cell_measurement_reflns_used    10980
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.81
_cell_measurement_theta_min      2.85
_cell_volume                     4130(2)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,2008'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.521
_diffrn_measurement_device_type  KM4CCD
_diffrn_measurement_method       /w
_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  0.0549
_diffrn_reflns_av_sigmaI/netI    0.1512
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            42673
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         36.90
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    0.903
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.803
_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_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1921
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.944
_refine_diff_density_min         -0.792
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1159
_refine_ls_number_reflns         21724
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.1670
_refine_ls_R_factor_gt           0.0698
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1564
_refine_ls_wR_factor_ref         0.1787
_reflns_number_gt                9693
_reflns_number_total             21724
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra01914h2.cif
_cod_data_source_block           at581a
_cod_original_sg_symbol_Hall     -p1
_cod_original_sg_symbol_H-M      p-1
_cod_original_formula_sum        'C166.80 H143.20 Cl2 Co8 N32 O37.80'
_cod_database_code               7235584
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 0.45647(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 . .
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'
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
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_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_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
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) .
