#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:27:26 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179920 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/15/7021519.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_7021519
loop_
_publ_author_name
'Siddiqi, Zafar A.'
'Siddique, Armeen'
'Shahid, M.'
'Khalid, Mohd'
'Sharma, Prashant K.'
Anjuli,
'Ahmad, Musheer'
'Kumar, Sarvendra'
'Lan, Yanhua'
'Powell, Annie K.'
_publ_section_title
;
 Synthesis, crystal structure and magnetic studies of tetranuclear hydroxo
 and ligand bridged [Co4(μ3-OH)2(μ2-dea)2(L-L)4]4Cl·8H2O [L-L =
 2,2'-bipyridine or 1,10-phenanthroline] complexes with mixed valence
 defect dicubane core.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9513
_journal_page_last               9522
_journal_paper_doi               10.1039/c3dt50854d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C48 H52 Cl4 Co4 N10 O19'
_chemical_formula_weight         1450.52
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 111.657(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   18.199(5)
_cell_length_b                   15.471(5)
_cell_length_c                   24.134(5)
_cell_measurement_reflns_used    3596
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.87
_cell_measurement_theta_min      2.20
_cell_volume                     6315(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0563
_diffrn_reflns_av_sigmaI/netI    0.0652
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17899
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.276
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brwon
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2952
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.068
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         6508
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0746
_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)+(0.1419P)²+31.2855P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2136
_refine_ls_wR_factor_ref         0.2454
_reflns_number_gt                4691
_reflns_number_total             6508
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50854d.txt
_cod_data_source_block           16auga
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7021519
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
C1 C -0.1278(4) -0.2315(4) 0.5362(3) 0.0355(13) Uani 1 1 d .
H1 H -0.1621 -0.1942 0.5085 0.043 Uiso 1 1 calc R
C2 C -0.1552(4) -0.2797(4) 0.5728(3) 0.0444(15) Uani 1 1 d .
H2 H -0.2072 -0.2735 0.5702 0.053 Uiso 1 1 calc R
C3 C -0.1063(4) -0.3362(4) 0.6125(3) 0.0415(15) Uani 1 1 d .
H3 H -0.1244 -0.3687 0.6373 0.050 Uiso 1 1 calc R
C4 C -0.0304(4) -0.3447(4) 0.6156(3) 0.0381(14) Uani 1 1 d .
H4 H 0.0037 -0.3837 0.6421 0.046 Uiso 1 1 calc R
C5 C -0.0043(4) -0.2943(3) 0.5786(2) 0.0312(12) Uani 1 1 d .
C6 C 0.0763(3) -0.2950(3) 0.5788(2) 0.0294(12) Uani 1 1 d .
C7 C 0.1385(4) -0.3454(4) 0.6170(3) 0.0381(14) Uani 1 1 d .
H7 H 0.1300 -0.3835 0.6439 0.046 Uiso 1 1 calc R
C8 C 0.2123(4) -0.3377(4) 0.6139(3) 0.0418(15) Uani 1 1 d .
H8 H 0.2545 -0.3698 0.6392 0.050 Uiso 1 1 calc R
C9 C 0.2234(4) -0.2820(4) 0.5731(3) 0.0415(14) Uani 1 1 d .
H9 H 0.2728 -0.2763 0.5704 0.050 Uiso 1 1 calc R
C10 C 0.1596(4) -0.2350(4) 0.5363(3) 0.0372(13) Uani 1 1 d .
H10 H 0.1669 -0.1978 0.5085 0.045 Uiso 1 1 calc R
C11 C 0.2388(4) -0.0542(4) 0.5949(2) 0.0337(12) Uani 1 1 d .
H11 H 0.2065 -0.0645 0.6163 0.040 Uiso 1 1 calc R
C12 C 0.3193(4) -0.0702(4) 0.6222(3) 0.0337(12) Uani 1 1 d .
H12 H 0.3405 -0.0910 0.6611 0.040 Uiso 1 1 calc R
C13 C 0.3675(3) -0.0545(4) 0.5899(3) 0.0329(12) Uani 1 1 d .
H13 H 0.4216 -0.0646 0.6067 0.040 Uiso 1 1 calc R
C14 C 0.3332(4) -0.0236(4) 0.5327(3) 0.0339(12) Uani 1 1 d .
H14 H 0.3641 -0.0132 0.5102 0.041 Uiso 1 1 calc R
C15 C 0.2532(3) -0.0081(3) 0.5087(3) 0.0284(11) Uani 1 1 d .
C16 C 0.2119(3) 0.0280(3) 0.4474(2) 0.0288(11) Uani 1 1 d .
C17 C 0.2514(4) 0.0539(4) 0.4109(3) 0.0376(13) Uani 1 1 d .
H17 H 0.3062 0.0507 0.4243 0.045 Uiso 1 1 calc R
C18 C 0.2088(4) 0.0844(4) 0.3545(3) 0.0425(15) Uani 1 1 d .
H18 H 0.2344 0.1017 0.3294 0.051 Uiso 1 1 calc R
C19 C 0.1275(4) 0.0889(4) 0.3359(3) 0.0416(15) Uani 1 1 d .
H19 H 0.0973 0.1081 0.2977 0.050 Uiso 1 1 calc R
C20 C 0.0916(4) 0.0646(4) 0.3748(2) 0.0344(13) Uani 1 1 d .
H20 H 0.0369 0.0686 0.3622 0.041 Uiso 1 1 calc R
C21 C 0.0343(5) -0.1446(4) 0.3925(3) 0.0428(16) Uani 1 1 d .
H21A H 0.0808 -0.1379 0.3822 0.051 Uiso 1 1 calc R
H21B H -0.0089 -0.1122 0.3641 0.051 Uiso 1 1 calc R
C22 C 0.0127(5) -0.2384(4) 0.3919(3) 0.0473(17) Uani 1 1 d .
H22A H -0.0128 -0.2580 0.3511 0.057 Uiso 1 1 calc R
H22B H 0.0601 -0.2726 0.4106 0.057 Uiso 1 1 calc R
C23 C -0.1255(4) -0.2291(4) 0.3906(3) 0.0467(16) Uani 1 1 d .
H23A H -0.1592 -0.2625 0.4057 0.056 Uiso 1 1 calc R
H23B H -0.1388 -0.2439 0.3490 0.056 Uiso 1 1 calc R
C24 C -0.1397(4) -0.1319(4) 0.3963(3) 0.0433(15) Uani 1 1 d .
H24A H -0.1195 -0.0984 0.3710 0.052 Uiso 1 1 calc R
H24B H -0.1957 -0.1201 0.3847 0.052 Uiso 1 1 calc R
N1 N 0.0875(3) -0.2407(3) 0.53883(19) 0.0288(10) Uani 1 1 d .
N2 N -0.0522(3) -0.2378(3) 0.54015(19) 0.0277(10) Uani 1 1 d .
N3 N 0.2060(3) -0.0247(3) 0.5394(2) 0.0284(10) Uani 1 1 d .
N4 N 0.1326(3) 0.0350(3) 0.4304(2) 0.0296(10) Uani 1 1 d .
N5 N -0.0420(3) -0.2498(3) 0.4247(2) 0.0365(11) Uani 1 1 d .
O1 O -0.0249(2) 0.0713(2) 0.45676(15) 0.0232(7) Uani 1 1 d .
O2 O 0.0501(2) -0.1148(2) 0.45182(16) 0.0302(8) Uani 1 1 d .
O3 O -0.0988(2) -0.1106(2) 0.45699(16) 0.0311(8) Uani 1 1 d .
Co1 Co -0.00472(4) -0.17212(4) 0.49291(3) 0.0251(2) Uani 1 1 d .
Co2 Co 0.08285(4) -0.00036(4) 0.49340(3) 0.0234(2) Uani 1 1 d .
O2W O 0.0704(5) -0.2665(4) 0.7436(3) 0.094(2) Uani 1 1 d .
O4W O 0.2915(5) -0.1754(5) 0.7482(3) 0.098(2) Uani 1 1 d .
O3W O 0.3116(8) -0.4327(6) 0.7528(4) 0.161(5) Uani 1 1 d .
O5W O 0.3206(5) 0.0979(6) 0.7250(3) 0.105(3) Uani 1 1 d .
Cl2 Cl 0.11835(10) -0.10671(12) 0.68008(7) 0.0489(4) Uani 1 1 d .
Cl1 Cl -0.04108(16) -0.44513(17) 0.44798(13) 0.0849(7) Uani 1 1 d .
O7W O 0.4112(2) -0.0439(2) 0.81386(17) 0.0317(8) Uani 1 1 d .
O1W O 0.4062(4) -0.2836(4) 0.7207(2) 0.0651(15) Uani 1 1 d .
O6W O 0.5000 -0.1191(9) 0.7500 0.105(4) Uani 1 2 d S
H01 H -0.033(4) -0.312(5) 0.434(3) 0.049(19) Uiso 1 1 d .
H02 H -0.050(6) 0.091(6) 0.413(4) 0.09(3) Uiso 1 1 d .
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'
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
N2 C1 C2 121.1(6) . .
N2 C1 H1 119.5 . .
C2 C1 H1 119.5 . .
C3 C2 C1 120.1(6) . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C4 C3 C2 119.3(6) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C3 C4 C5 119.2(6) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N2 C5 C4 121.4(6) . .
N2 C5 C6 113.7(5) . .
C4 C5 C6 124.8(5) . .
N1 C6 C7 121.1(6) . .
N1 C6 C5 114.1(5) . .
C7 C6 C5 124.8(5) . .
C8 C7 C6 118.9(6) . .
C8 C7 H7 120.6 . .
C6 C7 H7 120.6 . .
C7 C8 C9 119.7(6) . .
C7 C8 H8 120.1 . .
C9 C8 H8 120.1 . .
C10 C9 C8 118.6(6) . .
C10 C9 H9 120.7 . .
C8 C9 H9 120.7 . .
N1 C10 C9 122.7(6) . .
N1 C10 H10 118.6 . .
C9 C10 H10 118.6 . .
N3 C11 C12 122.8(5) . .
N3 C11 H11 118.6 . .
C12 C11 H11 118.6 . .
C11 C12 C13 118.4(5) . .
C11 C12 H12 120.8 . .
C13 C12 H12 120.8 . .
C14 C13 C12 118.5(5) . .
C14 C13 H13 120.8 . .
C12 C13 H13 120.8 . .
C13 C14 C15 120.1(5) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
N3 C15 C14 121.7(5) . .
N3 C15 C16 115.1(5) . .
C14 C15 C16 123.2(5) . .
N4 C16 C17 121.9(5) . .
N4 C16 C15 114.9(5) . .
C17 C16 C15 123.2(5) . .
C18 C17 C16 119.5(6) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C17 C18 C19 118.9(6) . .
C17 C18 H18 120.5 . .
C19 C18 H18 120.5 . .
C20 C19 C18 118.9(6) . .
C20 C19 H19 120.5 . .
C18 C19 H19 120.5 . .
N4 C20 C19 122.8(6) . .
N4 C20 H20 118.6 . .
C19 C20 H20 118.6 . .
O2 C21 C22 106.0(5) . .
O2 C21 H21A 110.5 . .
C22 C21 H21A 110.5 . .
O2 C21 H21B 110.5 . .
C22 C21 H21B 110.5 . .
H21A C21 H21B 108.7 . .
N5 C22 C21 109.5(5) . .
N5 C22 H22A 109.8 . .
C21 C22 H22A 109.8 . .
N5 C22 H22B 109.8 . .
C21 C22 H22B 109.8 . .
H22A C22 H22B 108.2 . .
N5 C23 C24 109.6(5) . .
N5 C23 H23A 109.8 . .
C24 C23 H23A 109.8 . .
N5 C23 H23B 109.8 . .
C24 C23 H23B 109.8 . .
H23A C23 H23B 108.2 . .
O3 C24 C23 106.2(5) . .
O3 C24 H24A 110.5 . .
C23 C24 H24A 110.5 . .
O3 C24 H24B 110.5 . .
C23 C24 H24B 110.5 . .
H24A C24 H24B 108.7 . .
C10 N1 C6 118.9(5) . .
C10 N1 Co1 126.2(4) . .
C6 N1 Co1 114.8(4) . .
C5 N2 C1 118.9(5) . .
C5 N2 Co1 115.5(4) . .
C1 N2 Co1 125.6(4) . .
C11 N3 C15 118.5(5) . .
C11 N3 Co2 125.4(4) . .
C15 N3 Co2 116.1(4) . .
C20 N4 C16 117.8(5) . .
C20 N4 Co2 125.2(4) . .
C16 N4 Co2 117.0(4) . .
C23 N5 C22 115.4(5) . .
C23 N5 Co1 107.7(4) . .
C22 N5 Co1 106.4(4) . .
C23 N5 H01 113(4) . .
C22 N5 H01 99(4) . .
Co1 N5 H01 115(4) . .
Co1 O1 Co2 99.12(16) 5_556 .
Co1 O1 Co2 98.05(15) 5_556 5_556
Co2 O1 Co2 93.89(13) . 5_556
Co1 O1 H02 109(5) 5_556 .
Co2 O1 H02 125(5) . .
Co2 O1 H02 126(5) 5_556 .
C21 O2 Co1 115.5(4) . .
C21 O2 Co2 134.1(3) . .
Co1 O2 Co2 105.67(17) . .
C24 O3 Co1 113.7(4) . .
C24 O3 Co2 134.9(3) . 5_556
Co1 O3 Co2 104.32(17) . 5_556
O2 Co1 O3 95.14(17) . .
O2 Co1 O1 82.58(15) . 5_556
O3 Co1 O1 82.82(16) . 5_556
O2 Co1 N5 86.10(19) . .
O3 Co1 N5 87.1(2) . .
O1 Co1 N5 164.07(18) 5_556 .
O2 Co1 N1 92.50(18) . .
O3 Co1 N1 171.98(18) . .
O1 Co1 N1 95.78(17) 5_556 .
N5 Co1 N1 95.9(2) . .
O2 Co1 N2 174.35(18) . .
O3 Co1 N2 90.49(19) . .
O1 Co1 N2 97.72(16) 5_556 .
N5 Co1 N2 94.6(2) . .
N1 Co1 N2 81.86(19) . .
O2 Co2 O3 168.17(16) . 5_556
O2 Co2 N4 89.75(16) . .
O3 Co2 N4 101.39(17) 5_556 .
O2 Co2 N3 99.45(17) . .
O3 Co2 N3 87.07(16) 5_556 .
N4 Co2 N3 76.87(18) . .
O2 Co2 O1 101.08(15) . .
O3 Co2 O1 73.66(14) 5_556 .
N4 Co2 O1 98.01(16) . .
N3 Co2 O1 158.81(16) . .
O2 Co2 O1 73.53(14) . 5_556
O3 Co2 O1 95.33(14) 5_556 5_556
N4 Co2 O1 163.28(16) . 5_556
N3 Co2 O1 104.76(15) . 5_556
O1 Co2 O1 86.11(14) . 5_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.347(7) .
C1 C2 1.381(9) .
C1 H1 0.9300 .
C2 C3 1.358(10) .
C2 H2 0.9300 .
C3 C4 1.361(9) .
C3 H3 0.9300 .
C4 C5 1.393(8) .
C4 H4 0.9300 .
C5 N2 1.338(7) .
C5 C6 1.465(8) .
C6 N1 1.350(7) .
C6 C7 1.403(8) .
C7 C8 1.378(10) .
C7 H7 0.9300 .
C8 C9 1.377(9) .
C8 H8 0.9300 .
C9 C10 1.381(9) .
C9 H9 0.9300 .
C10 N1 1.338(8) .
C10 H10 0.9300 .
C11 N3 1.330(7) .
C11 C12 1.389(8) .
C11 H11 0.9300 .
C12 C13 1.392(8) .
C12 H12 0.9300 .
C13 C14 1.374(8) .
C13 H13 0.9300 .
C14 C15 1.375(8) .
C14 H14 0.9300 .
C15 N3 1.348(7) .
C15 C16 1.498(8) .
C16 N4 1.351(7) .
C16 C17 1.386(8) .
C17 C18 1.377(9) .
C17 H17 0.9300 .
C18 C19 1.381(10) .
C18 H18 0.9300 .
C19 C20 1.379(8) .
C19 H19 0.9300 .
C20 N4 1.351(7) .
C20 H20 0.9300 .
C21 O2 1.429(6) .
C21 C22 1.502(9) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 N5 1.494(8) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 N5 1.473(9) .
C23 C24 1.540(9) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 O3 1.415(7) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
N1 Co1 1.949(5) .
N2 Co1 1.951(4) .
N3 Co2 2.136(5) .
N4 Co2 2.110(5) .
N5 Co1 1.946(5) .
N5 H01 1.00(7) .
O1 Co1 1.928(3) 5_556
O1 Co2 2.139(4) .
O1 Co2 2.168(3) 5_556
O1 H02 1.04(10) .
O2 Co1 1.870(4) .
O2 Co2 2.014(4) .
O3 Co1 1.870(4) .
O3 Co2 2.051(4) 5_556
Co1 O1 1.928(3) 5_556
Co2 O3 2.051(4) 5_556
Co2 O1 2.168(3) 5_556
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_4
N2 C1 C2 C3 -1.7(9) . .
C1 C2 C3 C4 -0.2(9) . .
C2 C3 C4 C5 1.0(9) . .
C3 C4 C5 N2 0.0(8) . .
C3 C4 C5 C6 177.9(5) . .
N2 C5 C6 N1 -2.1(7) . .
C4 C5 C6 N1 179.8(5) . .
N2 C5 C6 C7 177.0(5) . .
C4 C5 C6 C7 -1.0(9) . .
N1 C6 C7 C8 1.3(8) . .
C5 C6 C7 C8 -177.8(5) . .
C6 C7 C8 C9 -1.1(9) . .
C7 C8 C9 C10 0.2(9) . .
C8 C9 C10 N1 0.5(9) . .
N3 C11 C12 C13 0.2(9) . .
C11 C12 C13 C14 0.2(8) . .
C12 C13 C14 C15 0.7(8) . .
C13 C14 C15 N3 -1.9(8) . .
C13 C14 C15 C16 178.1(5) . .
N3 C15 C16 N4 -3.0(7) . .
C14 C15 C16 N4 177.0(5) . .
N3 C15 C16 C17 176.0(5) . .
C14 C15 C16 C17 -4.0(8) . .
N4 C16 C17 C18 -2.7(9) . .
C15 C16 C17 C18 178.4(5) . .
C16 C17 C18 C19 0.4(9) . .
C17 C18 C19 C20 1.4(9) . .
C18 C19 C20 N4 -1.0(9) . .
O2 C21 C22 N5 43.4(7) . .
N5 C23 C24 O3 -43.1(7) . .
C9 C10 N1 C6 -0.3(8) . .
C9 C10 N1 Co1 175.7(4) . .
C7 C6 N1 C10 -0.6(8) . .
C5 C6 N1 C10 178.6(5) . .
C7 C6 N1 Co1 -177.0(4) . .
C5 C6 N1 Co1 2.2(6) . .
C4 C5 N2 C1 -1.8(8) . .
C6 C5 N2 C1 -179.9(5) . .
C4 C5 N2 Co1 179.2(4) . .
C6 C5 N2 Co1 1.1(6) . .
C2 C1 N2 C5 2.6(8) . .
C2 C1 N2 Co1 -178.5(4) . .
C12 C11 N3 C15 -1.4(8) . .
C12 C11 N3 Co2 178.9(4) . .
C14 C15 N3 C11 2.3(8) . .
C16 C15 N3 C11 -177.8(5) . .
C14 C15 N3 Co2 -178.0(4) . .
C16 C15 N3 Co2 2.0(6) . .
C19 C20 N4 C16 -1.2(9) . .
C19 C20 N4 Co2 178.3(4) . .
C17 C16 N4 C20 3.1(8) . .
C15 C16 N4 C20 -177.9(5) . .
C17 C16 N4 Co2 -176.4(4) . .
C15 C16 N4 Co2 2.6(6) . .
C24 C23 N5 C22 -86.9(6) . .
C24 C23 N5 Co1 31.8(6) . .
C21 C22 N5 C23 80.8(7) . .
C21 C22 N5 Co1 -38.5(6) . .
C22 C21 O2 Co1 -28.8(7) . .
C22 C21 O2 Co2 179.9(4) . .
C23 C24 O3 Co1 34.7(6) . .
C23 C24 O3 Co2 179.8(4) . 5_556
C21 O2 Co1 O3 -80.4(4) . .
Co2 O2 Co1 O3 78.61(19) . .
C21 O2 Co1 O1 -162.5(4) . 5_556
Co2 O2 Co1 O1 -3.44(17) . 5_556
C21 O2 Co1 N5 6.3(4) . .
Co2 O2 Co1 N5 165.3(2) . .
C21 O2 Co1 N1 102.0(4) . .
Co2 O2 Co1 N1 -98.9(2) . .
C21 O2 Co1 N2 104.1(17) . .
Co2 O2 Co1 N2 -96.9(17) . .
C24 O3 Co1 O2 71.1(4) . .
Co2 O3 Co1 O2 -84.19(18) 5_556 .
C24 O3 Co1 O1 152.9(4) . 5_556
Co2 O3 Co1 O1 -2.36(16) 5_556 5_556
C24 O3 Co1 N5 -14.7(4) . .
Co2 O3 Co1 N5 -170.0(2) 5_556 .
C24 O3 Co1 N1 -126.6(12) . .
Co2 O3 Co1 N1 78.1(13) 5_556 .
C24 O3 Co1 N2 -109.3(4) . .
Co2 O3 Co1 N2 95.37(19) 5_556 .
C23 N5 Co1 O2 -106.1(4) . .
C22 N5 Co1 O2 18.2(4) . .
C23 N5 Co1 O3 -10.8(4) . .
C22 N5 Co1 O3 113.6(4) . .
C23 N5 Co1 O1 -61.4(9) . 5_556
C22 N5 Co1 O1 62.9(9) . 5_556
C23 N5 Co1 N1 161.8(4) . .
C22 N5 Co1 N1 -73.9(4) . .
C23 N5 Co1 N2 79.5(4) . .
C22 N5 Co1 N2 -156.2(4) . .
C10 N1 Co1 O2 2.4(5) . .
C6 N1 Co1 O2 178.5(4) . .
C10 N1 Co1 O3 -159.9(11) . .
C6 N1 Co1 O3 16.2(15) . .
C10 N1 Co1 O1 -80.4(5) . 5_556
C6 N1 Co1 O1 95.8(4) . 5_556
C10 N1 Co1 N5 88.8(5) . .
C6 N1 Co1 N5 -95.1(4) . .
C10 N1 Co1 N2 -177.4(5) . .
C6 N1 Co1 N2 -1.2(4) . .
C5 N2 Co1 O2 -2.1(19) . .
C1 N2 Co1 O2 179(100) . .
C5 N2 Co1 O3 -177.6(4) . .
C1 N2 Co1 O3 3.5(5) . .
C5 N2 Co1 O1 -94.8(4) . 5_556
C1 N2 Co1 O1 86.3(5) . 5_556
C5 N2 Co1 N5 95.3(4) . .
C1 N2 Co1 N5 -83.6(5) . .
C5 N2 Co1 N1 0.0(4) . .
C1 N2 Co1 N1 -178.9(5) . .
C21 O2 Co2 O3 136.3(8) . 5_556
Co1 O2 Co2 O3 -16.9(8) . 5_556
C21 O2 Co2 N4 -24.2(6) . .
Co1 O2 Co2 N4 -177.5(2) . .
C21 O2 Co2 N3 -100.9(6) . .
Co1 O2 Co2 N3 105.9(2) . .
C21 O2 Co2 O1 73.9(6) . .
Co1 O2 Co2 O1 -79.37(19) . .
C21 O2 Co2 O1 156.4(6) . 5_556
Co1 O2 Co2 O1 3.16(16) . 5_556
C20 N4 Co2 O2 79.5(5) . .
C16 N4 Co2 O2 -101.0(4) . .
C20 N4 Co2 O3 -96.5(5) . 5_556
C16 N4 Co2 O3 83.0(4) . 5_556
C20 N4 Co2 N3 179.3(5) . .
C16 N4 Co2 N3 -1.2(4) . .
C20 N4 Co2 O1 -21.6(5) . .
C16 N4 Co2 O1 157.9(4) . .
C20 N4 Co2 O1 81.7(7) . 5_556
C16 N4 Co2 O1 -98.8(6) . 5_556
C11 N3 Co2 O2 -93.3(5) . .
C15 N3 Co2 O2 87.0(4) . .
C11 N3 Co2 O3 76.8(5) . 5_556
C15 N3 Co2 O3 -102.9(4) . 5_556
C11 N3 Co2 N4 179.2(5) . .
C15 N3 Co2 N4 -0.5(4) . .
C11 N3 Co2 O1 101.1(6) . .
C15 N3 Co2 O1 -78.6(6) . .
C11 N3 Co2 O1 -18.0(5) . 5_556
C15 N3 Co2 O1 162.3(4) . 5_556
Co1 O1 Co2 O2 171.17(14) 5_556 .
Co2 O1 Co2 O2 72.37(15) 5_556 .
Co1 O1 Co2 O3 2.09(14) 5_556 5_556
Co2 O1 Co2 O3 -96.71(15) 5_556 5_556
Co1 O1 Co2 N4 -97.50(17) 5_556 .
Co2 O1 Co2 N4 163.70(16) 5_556 .
Co1 O1 Co2 N3 -23.3(5) 5_556 .
Co2 O1 Co2 N3 -122.1(4) 5_556 .
Co1 O1 Co2 O1 98.80(16) 5_556 5_556
Co2 O1 Co2 O1 0.0 5_556 5_556
