#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:47:55 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179674 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/26/4512690.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_4512690
loop_
_publ_author_name
'Manna, Paulami'
'Das, Samar K.'
_publ_section_title
;
 Perceptive Approach in Assessing Rigidity versus Flexibility in the
 Construction of Diverse Metal--Organic Coordination Networks: Synthesis,
 Structure, and Magnetism
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1407
_journal_paper_doi               10.1021/cg501787m
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C42 H38 Co2 N4 O8'
_chemical_formula_sum            'C42 H38 Co2 N4 O8'
_chemical_formula_weight         844.62
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.793(4)
_cell_angle_beta                 95.386(4)
_cell_angle_gamma                102.565(4)
_cell_formula_units_Z            2
_cell_length_a                   12.046(3)
_cell_length_b                   12.344(3)
_cell_length_c                   14.451(3)
_cell_measurement_reflns_used    7245
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1862.0(8)
_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    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17945
_diffrn_reflns_theta_full        25.12
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.952
_exptl_absorpt_correction_T_max  0.00
_exptl_absorpt_correction_T_min  0.00
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_refine_diff_density_max         0.722
_refine_diff_density_min         -0.596
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.211
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         6543
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.211
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0595
_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)+(0.0467P)²+2.9004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1328
_refine_ls_wR_factor_ref         0.1351
_reflns_number_gt                6127
_reflns_number_total             6543
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg501787m_si_002.cif
_cod_data_source_block           Compound-4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4512687--4512690.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4512690
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
Co1 Co 0.37382(4) 1.01762(5) 0.50973(4) 0.03306(16) Uani 1 1 d .
Co2 Co -0.07820(5) 1.10526(5) 0.05441(4) 0.03315(16) Uani 1 1 d .
O1 O 0.3199(3) 1.1240(3) 0.4513(2) 0.0475(8) Uani 1 1 d .
O2 O 0.5005(3) 1.1253(3) 0.4395(2) 0.0523(8) Uani 1 1 d .
O3 O 0.3617(2) 0.8701(3) 0.3765(2) 0.0382(7) Uani 1 1 d .
O4 O 0.4617(2) 1.1320(2) 0.65524(19) 0.0309(6) Uani 1 1 d .
O5 O 0.1025(3) 1.0427(3) 0.0834(2) 0.0527(8) Uani 1 1 d .
O6 O 0.0773(3) 1.2271(3) 0.1487(3) 0.0588(9) Uani 1 1 d .
O8 O 0.2036(2) 0.8105(3) -0.0525(2) 0.0403(7) Uani 1 1 d .
O7 O 0.0716(3) 0.7810(3) 0.0343(3) 0.0502(8) Uani 1 1 d .
N1 N 0.2303(3) 0.9153(3) 0.5351(2) 0.0312(7) Uani 1 1 d .
N4 N 0.1415(3) -0.0109(3) 0.8654(3) 0.0364(8) Uani 1 1 d .
N2 N 0.1388(3) 0.7614(3) 0.5640(3) 0.0332(7) Uani 1 1 d .
N3 N 0.1751(3) 0.1191(3) 0.7974(2) 0.0304(7) Uani 1 1 d .
C13 C 0.4290(3) 0.8312(3) 0.3174(3) 0.0275(8) Uani 1 1 d .
C20 C 0.2325(3) 0.6991(3) 0.0464(3) 0.0270(8) Uani 1 1 d .
C23 C 0.1639(3) 0.7657(4) 0.0065(3) 0.0325(9) Uani 1 1 d .
C2 C 0.4021(3) 1.2028(4) 0.3387(3) 0.0339(9) Uani 1 1 d .
C14 C 0.3704(3) 0.7340(3) 0.2057(3) 0.0266(8) Uani 1 1 d .
C24 C 0.2989(3) 0.7936(3) 0.1573(3) 0.0264(8) Uani 1 1 d .
H24A H 0.2441 0.8229 0.2000 0.032 Uiso 1 1 calc R
H24B H 0.3503 0.8646 0.1554 0.032 Uiso 1 1 calc R
C26 C 0.0630(3) 0.8297(4) 0.5638(3) 0.0383(9) Uani 1 1 d .
H26 H -0.0126 0.8148 0.5745 0.046 Uiso 1 1 calc R
C37 C 0.1593(3) 0.2066(3) 0.7601(3) 0.0303(8) Uani 1 1 d .
C22 C 0.1512(3) 0.5879(4) 0.0509(3) 0.0334(9) Uani 1 1 d .
H22A H 0.1087 0.5276 -0.0189 0.040 Uiso 1 1 calc R
H22B H 0.0953 0.6158 0.0928 0.040 Uiso 1 1 calc R
C40 C 0.2639(3) 0.0633(4) 0.7866(3) 0.0333(9) Uani 1 1 d .
H40 H 0.3266 0.0776 0.7561 0.040 Uiso 1 1 calc R
C31 C 0.1235(3) 0.4713(4) 0.6486(3) 0.0331(9) Uani 1 1 d .
C27 C 0.2386(3) 0.8167(4) 0.5461(3) 0.0343(9) Uani 1 1 d .
H27 H 0.3045 0.7887 0.5422 0.041 Uiso 1 1 calc R
C42 C 0.1036(4) 0.0706(4) 0.8456(3) 0.0368(9) Uani 1 1 d .
H42 H 0.0363 0.0922 0.8625 0.044 Uiso 1 1 calc R
C41 C 0.2422(3) -0.0152(4) 0.8284(3) 0.0349(9) Uani 1 1 d .
H41 H 0.2884 -0.0652 0.8320 0.042 Uiso 1 1 calc R
C36 C 0.2422(4) 0.2478(4) 0.7133(3) 0.0391(10) Uani 1 1 d .
H36 H 0.3073 0.2184 0.7061 0.047 Uiso 1 1 calc R
C34 C 0.1330(3) 0.3774(4) 0.6852(3) 0.0320(8) Uani 1 1 d .
C19 C 0.3207(3) 0.6538(4) -0.0202(3) 0.0335(9) Uani 1 1 d .
H19A H 0.2800 0.5946 -0.0908 0.040 Uiso 1 1 calc R
H19B H 0.3731 0.7238 -0.0228 0.040 Uiso 1 1 calc R
C9 C 0.2776(3) 1.1542(3) 0.2756(3) 0.0301(8) Uani 1 1 d .
H9A H 0.2246 1.1756 0.3225 0.036 Uiso 1 1 calc R
H9B H 0.2566 1.0642 0.2367 0.036 Uiso 1 1 calc R
C35 C 0.2288(4) 0.3319(4) 0.6772(3) 0.0400(10) Uani 1 1 d .
H35 H 0.2859 0.3591 0.6465 0.048 Uiso 1 1 calc R
C1 C 0.4097(4) 1.1484(4) 0.4154(3) 0.0399(10) Uani 1 1 d .
C28 C 0.1263(3) 0.6587(4) 0.5885(3) 0.0336(9) Uani 1 1 d .
C21 C 0.4563(3) 0.6878(4) 0.1373(3) 0.0333(9) Uani 1 1 d .
H21A H 0.5018 0.6500 0.1673 0.040 Uiso 1 1 calc R
H21B H 0.5092 0.7577 0.1350 0.040 Uiso 1 1 calc R
C32 C 0.0721(4) 0.5649(4) 0.6981(3) 0.0404(10) Uani 1 1 d .
H32 H 0.0360 0.5646 0.7522 0.049 Uiso 1 1 calc R
C15 C 0.2869(3) 0.6228(4) 0.2086(3) 0.0337(9) Uani 1 1 d .
H15A H 0.2319 0.6514 0.2513 0.040 Uiso 1 1 calc R
H15B H 0.3306 0.5846 0.2397 0.040 Uiso 1 1 calc R
C11 C 0.3490(4) 1.1726(4) 0.1249(3) 0.0407(10) Uani 1 1 d .
H11A H 0.3277 1.0826 0.0861 0.049 Uiso 1 1 calc R
H11B H 0.3423 1.2062 0.0755 0.049 Uiso 1 1 calc R
C8 C 0.2659(3) 1.2107(3) 0.1995(3) 0.0323(9) Uani 1 1 d .
C29 C 0.1730(4) 0.5642(4) 0.5349(3) 0.0395(10) Uani 1 1 d .
H29 H 0.2056 0.5628 0.4787 0.047 Uiso 1 1 calc R
C33 C 0.0732(4) 0.6587(4) 0.6689(3) 0.0381(9) Uani 1 1 d .
H33 H 0.0386 0.7207 0.7032 0.046 Uiso 1 1 calc R
C38 C 0.0628(4) 0.2497(4) 0.7688(4) 0.0442(11) Uani 1 1 d .
H38 H 0.0057 0.2218 0.7992 0.053 Uiso 1 1 calc R
C18 C 0.3907(3) 0.5921(4) 0.0265(3) 0.0357(9) Uani 1 1 d .
C30 C 0.1716(4) 0.4714(4) 0.5647(3) 0.0390(10) Uani 1 1 d .
H30 H 0.2034 0.4078 0.5280 0.047 Uiso 1 1 calc R
C39 C 0.0509(4) 0.3344(4) 0.7321(4) 0.0449(11) Uani 1 1 d .
H39 H -0.0144 0.3635 0.7392 0.054 Uiso 1 1 calc R
C12 C 0.1413(4) 1.1583(4) 0.1394(3) 0.0369(9) Uani 1 1 d .
C3 C 0.4847(4) 1.1672(4) 0.2635(3) 0.0427(10) Uani 1 1 d .
H3A H 0.5641 1.1986 0.3029 0.051 Uiso 1 1 calc R
H3B H 0.4660 1.0772 0.2258 0.051 Uiso 1 1 calc R
C16 C 0.2210(4) 0.5265(4) 0.0981(3) 0.0373(9) Uani 1 1 d .
C25 C 0.1199(3) 0.9224(4) 0.5451(3) 0.0352(9) Uani 1 1 d .
H25 H 0.0887 0.9827 0.5397 0.042 Uiso 1 1 calc R
C17 C 0.3078(4) 0.4826(4) 0.0308(3) 0.0457(11) Uani 1 1 d .
H17A H 0.3519 0.4427 0.0594 0.055 Uiso 1 1 calc R
H17B H 0.2662 0.4220 -0.0392 0.055 Uiso 1 1 calc R
C4 C 0.4745(4) 1.2209(5) 0.1858(4) 0.0488(12) Uani 1 1 d .
C5 C 0.5075(4) 1.3622(5) 0.2468(4) 0.0679(17) Uani 1 1 d .
H5A H 0.5021 1.3980 0.1989 0.081 Uiso 1 1 calc R
H5B H 0.5872 1.3933 0.2854 0.081 Uiso 1 1 calc R
C7 C 0.3009(5) 1.3518(4) 0.2612(4) 0.0538(12) Uani 1 1 d .
H7A H 0.2496 1.3761 0.3093 0.065 Uiso 1 1 calc R
H7B H 0.2927 1.3880 0.2138 0.065 Uiso 1 1 calc R
C6 C 0.4270(5) 1.4016(4) 0.3222(4) 0.0596(15) Uani 1 1 d .
C10 C 0.4354(4) 1.3458(4) 0.3987(4) 0.0511(12) Uani 1 1 d .
H10A H 0.3836 1.3705 0.4462 0.061 Uiso 1 1 calc R
H10B H 0.5141 1.3773 0.4395 0.061 Uiso 1 1 calc R
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'
Co Co 0.3494 0.9721 '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'
H H 0.0000 0.0000 '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
O3 Co1 O4 147.70(11) . .
O3 Co1 O1 98.66(13) . .
O4 Co1 O1 106.74(12) . .
O3 Co1 N1 88.94(12) . .
O4 Co1 N1 101.46(12) . .
O1 Co1 N1 108.09(13) . .
O3 Co1 O2 83.72(12) . .
O4 Co1 O2 92.27(11) . .
O1 Co1 O2 59.26(12) . .
N1 Co1 O2 163.92(11) . .
O5 Co2 O8 109.89(13) 2_575 2_575
O5 Co2 N4 97.45(14) 2_575 2_566
O8 Co2 N4 99.21(12) 2_575 2_566
O5 Co2 O6 127.27(14) 2_575 .
O8 Co2 O6 112.94(13) 2_575 .
N4 Co2 O6 104.45(14) 2_566 .
O5 Co2 O7 86.74(14) 2_575 2_575
O8 Co2 O7 60.90(10) 2_575 2_575
N4 Co2 O7 159.71(12) 2_566 2_575
O6 Co2 O7 88.30(13) . 2_575
C1 O1 Co1 97.0(3) . .
C1 O2 Co1 81.1(2) . .
C13 O3 Co1 136.4(3) . .
C13 O4 Co1 124.5(2) 2_676 .
C12 O5 Co2 149.2(3) . 2_575
C12 O6 Co2 103.0(3) . .
C23 O8 Co2 94.7(2) . 2_575
C23 O7 Co2 84.4(2) . 2_575
C27 N1 C25 105.6(3) . .
C27 N1 Co1 118.2(3) . .
C25 N1 Co1 136.2(3) . .
C42 N4 C41 106.0(3) . .
C42 N4 Co2 129.4(3) . 2_566
C41 N4 Co2 124.4(3) . 2_566
C27 N2 C26 106.8(3) . .
C27 N2 C28 123.4(3) . .
C26 N2 C28 129.5(3) . .
C42 N3 C40 106.5(3) . .
C42 N3 C37 126.9(3) . .
C40 N3 C37 126.5(3) . .
O3 C13 O4 124.1(3) . 2_676
O3 C13 C14 115.8(3) . .
O4 C13 C14 120.1(3) 2_676 .
C23 C20 C22 111.0(3) . .
C23 C20 C24 106.5(3) . .
C22 C20 C24 108.8(3) . .
C23 C20 C19 112.6(3) . .
C22 C20 C19 109.1(3) . .
C24 C20 C19 108.7(3) . .
O7 C23 O8 119.9(3) . .
O7 C23 C20 120.5(3) . .
O8 C23 C20 119.6(3) . .
C1 C2 C9 109.2(3) . .
C1 C2 C3 111.6(3) . .
C9 C2 C3 108.9(3) . .
C1 C2 C10 109.6(3) . .
C9 C2 C10 109.2(3) . .
C3 C2 C10 108.2(4) . .
C13 C14 C21 113.7(3) . .
C13 C14 C15 108.8(3) . .
C21 C14 C15 109.2(3) . .
C13 C14 C24 107.6(3) . .
C21 C14 C24 109.0(3) . .
C15 C14 C24 108.4(3) . .
C20 C24 C14 110.6(3) . .
C20 C24 H24A 109.5 . .
C14 C24 H24A 109.5 . .
C20 C24 H24B 109.5 . .
C14 C24 H24B 109.5 . .
H24A C24 H24B 108.1 . .
C25 C26 N2 106.2(3) . .
C25 C26 H26 126.9 . .
N2 C26 H26 126.9 . .
C38 C37 C36 119.2(4) . .
C38 C37 N3 121.5(3) . .
C36 C37 N3 119.3(3) . .
C20 C22 C16 110.5(3) . .
C20 C22 H22A 109.6 . .
C16 C22 H22A 109.6 . .
C20 C22 H22B 109.6 . .
C16 C22 H22B 109.6 . .
H22A C22 H22B 108.1 . .
C41 C40 N3 106.6(3) . .
C41 C40 H40 126.7 . .
N3 C40 H40 126.7 . .
C32 C31 C30 117.4(4) . .
C32 C31 C34 122.4(4) . .
C30 C31 C34 120.1(4) . .
N1 C27 N2 111.2(3) . .
N1 C27 H27 124.4 . .
N2 C27 H27 124.4 . .
N4 C42 N3 111.2(3) . .
N4 C42 H42 124.4 . .
N3 C42 H42 124.4 . .
C40 C41 N4 109.8(3) . .
C40 C41 H41 125.1 . .
N4 C41 H41 125.1 . .
C35 C36 C37 120.2(4) . .
C35 C36 H36 119.9 . .
C37 C36 H36 119.9 . .
C35 C34 C39 116.6(4) . .
C35 C34 C31 120.5(3) . .
C39 C34 C31 122.8(4) . .
C18 C19 C20 110.1(3) . .
C18 C19 H19A 109.6 . .
C20 C19 H19A 109.6 . .
C18 C19 H19B 109.6 . .
C20 C19 H19B 109.6 . .
H19A C19 H19B 108.1 . .
C2 C9 C8 110.6(3) . .
C2 C9 H9A 109.5 . .
C8 C9 H9A 109.5 . .
C2 C9 H9B 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 108.1 . .
C36 C35 C34 122.0(4) . .
C36 C35 H35 119.0 . .
C34 C35 H35 119.0 . .
O2 C1 O1 121.3(4) . .
O2 C1 C2 120.3(4) . .
O1 C1 C2 118.3(4) . .
C29 C28 C33 120.5(4) . .
C29 C28 N2 119.4(4) . .
C33 C28 N2 120.0(4) . .
C14 C21 C18 110.3(3) . .
C14 C21 H21A 109.6 . .
C18 C21 H21A 109.6 . .
C14 C21 H21B 109.6 . .
C18 C21 H21B 109.6 . .
H21A C21 H21B 108.1 . .
C33 C32 C31 121.7(4) . .
C33 C32 H32 119.1 . .
C31 C32 H32 119.1 . .
C14 C15 C16 110.4(3) . .
C14 C15 H15A 109.6 . .
C16 C15 H15A 109.6 . .
C14 C15 H15B 109.6 . .
C16 C15 H15B 109.6 . .
H15A C15 H15B 108.1 . .
C4 C11 C8 110.5(3) . .
C4 C11 H11A 109.6 . .
C8 C11 H11A 109.6 . .
C4 C11 H11B 109.6 . .
C8 C11 H11B 109.6 . .
H11A C11 H11B 108.1 . .
C12 C8 C7 112.2(4) . .
C12 C8 C9 107.8(3) . .
C7 C8 C9 109.0(3) . .
C12 C8 C11 110.3(3) . .
C7 C8 C11 109.3(4) . .
C9 C8 C11 108.1(3) . .
C28 C29 C30 119.9(4) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
C28 C33 C32 119.1(4) . .
C28 C33 H33 120.5 . .
C32 C33 H33 120.5 . .
C37 C38 C39 119.8(4) . .
C37 C38 H38 120.1 . .
C39 C38 H38 120.1 . .
C17 C18 C19 109.3(3) . .
C17 C18 C21 109.3(3) . .
C19 C18 C21 108.9(3) . .
C29 C30 C31 121.3(4) . .
C29 C30 H30 119.4 . .
C31 C30 H30 119.4 . .
C38 C39 C34 122.2(4) . .
C38 C39 H39 118.9 . .
C34 C39 H39 118.9 . .
O6 C12 O5 120.7(4) . .
O6 C12 C8 120.8(4) . .
O5 C12 C8 118.4(4) . .
C4 C3 C2 110.9(4) . .
C4 C3 H3A 109.5 . .
C2 C3 H3A 109.5 . .
C4 C3 H3B 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 108.1 . .
C17 C16 C22 108.7(3) . .
C17 C16 C15 109.5(3) . .
C22 C16 C15 108.8(3) . .
C26 C25 N1 110.2(4) . .
C26 C25 H25 124.9 . .
N1 C25 H25 124.9 . .
C18 C17 C16 110.6(3) . .
C18 C17 H17A 109.5 . .
C16 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 108.1 . .
C5 C4 C11 109.3(4) . .
C5 C4 C3 108.4(4) . .
C11 C4 C3 109.3(3) . .
C4 C5 C6 110.5(4) . .
C4 C5 H5A 109.6 . .
C6 C5 H5A 109.6 . .
C4 C5 H5B 109.6 . .
C6 C5 H5B 109.6 . .
H5A C5 H5B 108.1 . .
C8 C7 C6 110.8(4) . .
C8 C7 H7A 109.5 . .
C6 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
C5 C6 C7 109.5(4) . .
C5 C6 C10 109.9(4) . .
C7 C6 C10 107.9(4) . .
C6 C10 C2 110.1(4) . .
C6 C10 H10A 109.6 . .
C2 C10 H10A 109.6 . .
C6 C10 H10B 109.6 . .
C2 C10 H10B 109.6 . .
H10A C10 H10B 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 1.983(3) .
Co1 O4 1.994(3) .
Co1 O1 2.013(3) .
Co1 N1 2.068(3) .
Co1 O2 2.380(3) .
Co2 O5 1.998(3) 2_575
Co2 O8 2.016(3) 2_575
Co2 N4 2.048(3) 2_566
Co2 O6 2.050(4) .
Co2 O7 2.258(3) 2_575
O1 C1 1.274(5) .
O2 C1 1.244(5) .
O3 C13 1.254(4) .
O4 C13 1.260(4) 2_676
O5 C12 1.257(5) .
O5 Co2 1.998(3) 2_575
O6 C12 1.242(5) .
O8 C23 1.272(5) .
O8 Co2 2.016(3) 2_575
O7 C23 1.243(5) .
O7 Co2 2.258(3) 2_575
N1 C27 1.315(5) .
N1 C25 1.369(5) .
N4 C42 1.311(5) .
N4 C41 1.374(5) .
N4 Co2 2.048(3) 2_566
N2 C27 1.351(5) .
N2 C26 1.372(5) .
N2 C28 1.435(5) .
N3 C42 1.350(5) .
N3 C40 1.380(5) .
N3 C37 1.433(5) .
C13 O4 1.260(4) 2_676
C13 C14 1.529(5) .
C20 C23 1.515(5) .
C20 C22 1.532(5) .
C20 C24 1.534(5) .
C20 C19 1.538(5) .
C2 C1 1.524(5) .
C2 C9 1.528(5) .
C2 C3 1.535(6) .
C2 C10 1.540(6) .
C14 C21 1.532(5) .
C14 C15 1.534(5) .
C14 C24 1.538(5) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C26 C25 1.344(6) .
C26 H26 0.9300 .
C37 C38 1.374(6) .
C37 C36 1.380(5) .
C22 C16 1.533(5) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C40 C41 1.336(5) .
C40 H40 0.9300 .
C31 C32 1.389(6) .
C31 C30 1.394(6) .
C31 C34 1.482(5) .
C27 H27 0.9300 .
C42 H42 0.9300 .
C41 H41 0.9300 .
C36 C35 1.373(6) .
C36 H36 0.9300 .
C34 C35 1.383(6) .
C34 C39 1.385(6) .
C19 C18 1.533(5) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C9 C8 1.539(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C35 H35 0.9300 .
C28 C29 1.374(6) .
C28 C33 1.379(6) .
C21 C18 1.535(5) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C32 C33 1.386(6) .
C32 H32 0.9300 .
C15 C16 1.534(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C11 C4 1.527(6) .
C11 C8 1.539(6) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C8 C12 1.512(5) .
C8 C7 1.521(6) .
C29 C30 1.380(6) .
C29 H29 0.9300 .
C33 H33 0.9300 .
C38 C39 1.382(6) .
C38 H38 0.9300 .
C18 C17 1.524(6) .
C30 H30 0.9300 .
C39 H39 0.9300 .
C3 C4 1.532(6) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C16 C17 1.527(6) .
C25 H25 0.9300 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C4 C5 1.524(8) .
C5 C6 1.524(8) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C7 C6 1.533(7) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C6 C10 1.535(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
