#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:28:31 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180507 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/76/7217698.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_7217698
loop_
_publ_author_name
'Fang, Xin'
'Yuan, Xiong'
'Song, Yan-Bo'
'Wang, Jun-Dong'
'Lin, Mei-Jin'
_publ_section_title
;
 Cooperative lone pair--π and coordination interactions in naphthalene
 diimide coordination networks
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              9090
_journal_paper_doi               10.1039/C4CE01233J
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C32 H32 Co N8 O13'
_chemical_formula_weight         795.59
_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                91.44(3)
_cell_angle_beta                 102.46(3)
_cell_angle_gamma                115.88(3)
_cell_formula_units_Z            2
_cell_length_a                   12.280(3)
_cell_length_b                   12.491(3)
_cell_length_c                   14.649(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     1955.7(10)
_computing_cell_refinement       'Nonius CAD4 software'
_computing_data_collection       'Nonius CAD4 software'
_computing_data_reduction        'XCAD (P.McArdle, 2000)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  '4-circle diffractometer'
_diffrn_measurement_method       'scintillation counter'
_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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0621
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16627
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.509
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.25
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             822
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         8654
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0661
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0634P)²+2.3828P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1577
_refine_ls_wR_factor_ref         0.1664
_reflns_number_gt                7360
_reflns_number_total             8654
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01233j2.cif
_cod_data_source_block           3
_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/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7217694--7217700.cif.
;
_cod_original_cell_volume        1955.7(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7217698
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 0.82744(4) 0.18131(4) 0.25451(3) 0.02136(13) Uani 1 1 d .
O1 O 0.2478(2) -0.13247(19) 0.07611(17) 0.0301(5) Uani 1 1 d .
O2 O 0.3737(2) -0.4232(2) 0.1185(2) 0.0389(6) Uani 1 1 d .
O3 O 0.6802(2) 0.3623(2) 0.10900(18) 0.0389(6) Uani 1 1 d .
O4 O 0.7821(2) 0.2567(2) 0.12671(17) 0.0302(5) Uani 1 1 d .
O5 O 0.6957(2) 0.2745(2) 0.23488(16) 0.0322(5) Uani 1 1 d .
O6 O 0.9188(2) 0.1221(2) 0.18111(18) 0.0298(5) Uani 1 1 d D
H6A H 0.9976(18) 0.148(3) 0.191(3) 0.045 Uiso 1 1 d D
H6B H 0.891(3) 0.0484(17) 0.169(3) 0.045 Uiso 1 1 d D
O7 O 0.7919(2) 0.1837(2) 0.39275(17) 0.0304(5) Uani 1 1 d .
O8 O 0.9189(3) 0.1132(3) 0.3810(2) 0.0438(7) Uani 1 1 d .
O9 O 0.8937(3) 0.1506(3) 0.52020(19) 0.0520(8) Uani 1 1 d .
O10 O 1.2009(2) 0.7721(2) 0.27475(17) 0.0380(6) Uani 1 1 d .
O11 O 1.3166(2) 0.6407(2) 0.54690(17) 0.0324(5) Uani 1 1 d .
O12 O 0.1681(2) 0.2106(2) 0.2096(2) 0.0410(6) Uani 1 1 d .
O13 O 0.8252(2) 0.8842(2) 0.14224(18) 0.0360(6) Uani 1 1 d .
N1 N 0.3094(2) -0.2785(2) 0.09713(19) 0.0238(5) Uani 1 1 d .
N2 N 0.6677(2) 0.0121(2) 0.20424(19) 0.0232(5) Uani 1 1 d .
N3 N 0.7181(3) 0.3001(2) 0.1562(2) 0.0278(6) Uani 1 1 d .
N4 N 0.8697(3) 0.1486(3) 0.4343(2) 0.0317(6) Uani 1 1 d .
N5 N 0.9754(2) 0.3598(2) 0.30507(18) 0.0235(5) Uani 1 1 d .
N6 N 1.2605(2) 0.7102(2) 0.41170(18) 0.0236(5) Uani 1 1 d .
N7 N 0.3334(3) 0.2274(3) 0.1591(2) 0.0394(7) Uani 1 1 d .
N8 N 0.8056(4) 0.7073(3) 0.1811(3) 0.0758(15) Uani 1 1 d .
C1 C 0.1295(3) -0.6099(3) 0.0401(3) 0.0334(8) Uani 1 1 d .
H1 H 0.1943 -0.6327 0.0603 0.040 Uiso 1 1 calc R
C2 C 0.1571(3) -0.4902(3) 0.0499(2) 0.0266(7) Uani 1 1 d .
C3 C 0.0623(3) -0.4552(3) 0.0197(2) 0.0232(6) Uani 1 1 d .
C4 C 0.0882(3) -0.3334(3) 0.0292(2) 0.0232(6) Uani 1 1 d .
C5 C -0.0058(3) -0.3008(3) -0.0005(3) 0.0312(7) Uani 1 1 d .
H5 H 0.0124 -0.2185 0.0055 0.037 Uiso 1 1 calc R
C6 C 0.2179(3) -0.2389(3) 0.0685(2) 0.0247(6) Uani 1 1 d .
C7 C 0.2880(3) -0.3985(3) 0.0911(2) 0.0255(6) Uani 1 1 d .
C8 C 0.4365(3) -0.1850(3) 0.1341(2) 0.0246(6) Uani 1 1 d .
C9 C 0.4937(3) -0.1638(3) 0.2280(2) 0.0298(7) Uani 1 1 d .
H9 H 0.4559 -0.2161 0.2701 0.036 Uiso 1 1 calc R
C10 C 0.4986(3) -0.1140(3) 0.0739(2) 0.0315(7) Uani 1 1 d .
H10 H 0.4626 -0.1308 0.0077 0.038 Uiso 1 1 calc R
C11 C 0.6147(3) -0.0174(3) 0.1115(2) 0.0294(7) Uani 1 1 d .
H11 H 0.6587 0.0301 0.0696 0.035 Uiso 1 1 calc R
C12 C 0.6088(3) -0.0637(3) 0.2602(2) 0.0304(7) Uani 1 1 d .
H12 H 0.6480 -0.0481 0.3258 0.037 Uiso 1 1 calc R
C13 C 1.0852(3) 0.4015(3) 0.2821(3) 0.0326(8) Uani 1 1 d .
H13 H 1.0974 0.3504 0.2406 0.039 Uiso 1 1 calc R
C14 C 0.9587(3) 0.4345(3) 0.3612(2) 0.0243(6) Uani 1 1 d .
H14 H 0.8809 0.4064 0.3774 0.029 Uiso 1 1 calc R
C15 C 1.0492(3) 0.5505(3) 0.3968(2) 0.0242(6) Uani 1 1 d .
H15 H 1.0334 0.6014 0.4357 0.029 Uiso 1 1 calc R
C16 C 1.1818(3) 0.5155(3) 0.3159(3) 0.0341(8) Uani 1 1 d .
H16 H 1.2591 0.5416 0.2992 0.041 Uiso 1 1 calc R
C17 C 1.1627(3) 0.5902(3) 0.3745(2) 0.0234(6) Uani 1 1 d .
C18 C 1.3354(3) 0.7257(3) 0.5032(2) 0.0237(6) Uani 1 1 d .
C19 C 1.2714(3) 0.7979(3) 0.3529(2) 0.0286(7) Uani 1 1 d .
C20 C 1.3937(3) 1.0108(3) 0.3355(3) 0.0357(8) Uani 1 1 d .
H20 H 1.3411 0.9951 0.2738 0.043 Uiso 1 1 calc R
C21 C 1.3739(3) 0.9200(3) 0.3909(2) 0.0263(7) Uani 1 1 d .
C22 C 1.4513(3) 0.9415(3) 0.4822(2) 0.0223(6) Uani 1 1 d .
C23 C 1.4346(3) 0.8494(3) 0.5398(2) 0.0246(6) Uani 1 1 d .
C24 C 1.5091(3) 0.8739(3) 0.6301(2) 0.0335(8) Uani 1 1 d .
H24 H 1.4944 0.8121 0.6693 0.040 Uiso 1 1 calc R
C25 C 0.3891(4) 0.1832(5) 0.0981(3) 0.0580(13) Uani 1 1 d .
H25A H 0.4347 0.1442 0.1347 0.087 Uiso 1 1 calc R
H25B H 0.4469 0.2506 0.0727 0.087 Uiso 1 1 calc R
H25C H 0.3229 0.1251 0.0459 0.087 Uiso 1 1 calc R
C26 C 0.4142(4) 0.3393(4) 0.2212(3) 0.0492(10) Uani 1 1 d .
H26A H 0.4105 0.4063 0.1896 0.074 Uiso 1 1 calc R
H26B H 0.5004 0.3500 0.2368 0.074 Uiso 1 1 calc R
H26C H 0.3863 0.3372 0.2793 0.074 Uiso 1 1 calc R
C27 C 0.2125(3) 0.1708(3) 0.1577(3) 0.0341(8) Uani 1 1 d .
C28 C 0.1324(4) 0.0589(4) 0.0902(3) 0.0499(11) Uani 1 1 d .
H28A H 0.0461 0.0269 0.0959 0.075 Uiso 1 1 calc R
H28B H 0.1633 -0.0007 0.1046 0.075 Uiso 1 1 calc R
H28C H 0.1350 0.0766 0.0257 0.075 Uiso 1 1 calc R
C29 C 0.6830(5) 0.6446(4) 0.1110(5) 0.0780(19) Uani 1 1 d .
H29A H 0.6176 0.6472 0.1379 0.117 Uiso 1 1 calc R
H29B H 0.6644 0.5608 0.0946 0.117 Uiso 1 1 calc R
H29C H 0.6860 0.6844 0.0541 0.117 Uiso 1 1 calc R
C30 C 0.8578(7) 0.6321(5) 0.2300(7) 0.164(5) Uani 1 1 d .
H30A H 0.9479 0.6805 0.2568 0.245 Uiso 1 1 calc R
H30B H 0.8433 0.5650 0.1849 0.245 Uiso 1 1 calc R
H30C H 0.8169 0.6007 0.2806 0.245 Uiso 1 1 calc R
C31 C 0.8666(4) 0.8265(3) 0.1933(3) 0.0421(9) Uani 1 1 d .
C32 C 0.9901(5) 0.8888(4) 0.2666(4) 0.0650(15) Uani 1 1 d .
H32A H 1.0504 0.8654 0.2497 0.097 Uiso 1 1 calc R
H32B H 0.9782 0.8655 0.3284 0.097 Uiso 1 1 calc R
H32C H 1.0218 0.9760 0.2692 0.097 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
O6 Co1 N2 87.24(10) . .
O6 Co1 N5 97.83(10) . .
N2 Co1 N5 174.07(10) . .
O6 Co1 O7 140.29(10) . .
N2 Co1 O7 92.25(10) . .
N5 Co1 O7 85.83(10) . .
O6 Co1 O4 85.33(10) . .
N2 Co1 O4 92.34(10) . .
N5 Co1 O4 85.04(10) . .
O7 Co1 O4 134.32(9) . .
O6 Co1 O8 83.96(10) . .
N2 Co1 O8 94.81(11) . .
N5 Co1 O8 88.81(11) . .
O7 Co1 O8 56.49(9) . .
O4 Co1 O8 166.81(9) . .
O6 Co1 O5 141.26(10) . .
N2 Co1 O5 89.36(9) . .
N5 Co1 O5 84.76(10) . .
O7 Co1 O5 78.38(9) . .
O4 Co1 O5 56.26(9) . .
O8 Co1 O5 134.77(9) . .
N3 O4 Co1 97.10(19) . .
N3 O5 Co1 89.91(18) . .
Co1 O6 H6A 127(3) . .
Co1 O6 H6B 117(3) . .
H6A O6 H6B 104(3) . .
N4 O7 Co1 97.7(2) . .
N4 O8 Co1 90.0(2) . .
C7 N1 C6 125.7(3) . .
C7 N1 C8 118.5(3) . .
C6 N1 C8 115.8(2) . .
C11 N2 C12 116.6(3) . .
C11 N2 Co1 119.0(2) . .
C12 N2 Co1 124.1(2) . .
O3 N3 O5 123.1(3) . .
O3 N3 O4 120.6(3) . .
O5 N3 O4 116.3(3) . .
O9 N4 O8 124.0(3) . .
O9 N4 O7 121.0(3) . .
O8 N4 O7 115.0(3) . .
C14 N5 C13 117.5(3) . .
C14 N5 Co1 119.7(2) . .
C13 N5 Co1 122.8(2) . .
C19 N6 C18 126.8(3) . .
C19 N6 C17 116.5(3) . .
C18 N6 C17 116.7(3) . .
C27 N7 C26 119.6(3) . .
C27 N7 C25 122.7(3) . .
C26 N7 C25 117.7(3) . .
C31 N8 C30 122.9(4) . .
C31 N8 C29 119.8(4) . .
C30 N8 C29 117.2(4) . .
C2 C1 C5 120.7(3) . 2_545
C2 C1 H1 119.6 . .
C5 C1 H1 119.6 2_545 .
C1 C2 C3 120.2(3) . .
C1 C2 C7 119.5(3) . .
C3 C2 C7 120.3(3) . .
C2 C3 C4 121.3(3) . .
C2 C3 C3 119.3(4) . 2_545
C4 C3 C3 119.5(4) . 2_545
C5 C4 C3 120.5(3) . .
C5 C4 C6 119.4(3) . .
C3 C4 C6 120.1(3) . .
C4 C5 C1 119.9(3) . 2_545
C4 C5 H5 120.1 . .
C1 C5 H5 120.1 2_545 .
O1 C6 N1 119.8(3) . .
O1 C6 C4 123.8(3) . .
N1 C6 C4 116.4(3) . .
O2 C7 N1 120.4(3) . .
O2 C7 C2 123.3(3) . .
N1 C7 C2 116.3(3) . .
C9 C8 C10 119.5(3) . .
C9 C8 N1 121.2(3) . .
C10 C8 N1 119.3(3) . .
C8 C9 C12 118.1(3) . .
C8 C9 H9 121.0 . .
C12 C9 H9 121.0 . .
C8 C10 C11 118.7(3) . .
C8 C10 H10 120.7 . .
C11 C10 H10 120.7 . .
N2 C11 C10 123.0(3) . .
N2 C11 H11 118.5 . .
C10 C11 H11 118.5 . .
N2 C12 C9 123.8(3) . .
N2 C12 H12 118.1 . .
C9 C12 H12 118.1 . .
N5 C13 C16 123.1(3) . .
N5 C13 H13 118.4 . .
C16 C13 H13 118.4 . .
N5 C14 C15 123.3(3) . .
N5 C14 H14 118.4 . .
C15 C14 H14 118.4 . .
C17 C15 C14 118.2(3) . .
C17 C15 H15 120.9 . .
C14 C15 H15 120.9 . .
C17 C16 C13 118.2(3) . .
C17 C16 H16 120.9 . .
C13 C16 H16 120.9 . .
C15 C17 C16 119.6(3) . .
C15 C17 N6 119.9(3) . .
C16 C17 N6 120.4(3) . .
O11 C18 N6 120.1(3) . .
O11 C18 C23 124.2(3) . .
N6 C18 C23 115.7(3) . .
O10 C19 N6 120.1(3) . .
O10 C19 C21 123.8(3) . .
N6 C19 C21 116.0(3) . .
C21 C20 C24 120.2(3) . 2_876
C21 C20 H20 119.9 . .
C24 C20 H20 119.9 2_876 .
C20 C21 C22 120.6(3) . .
C20 C21 C19 119.5(3) . .
C22 C21 C19 119.9(3) . .
C21 C22 C23 121.8(3) . .
C21 C22 C22 119.4(4) . 2_876
C23 C22 C22 118.8(3) . 2_876
C24 C23 C22 120.5(3) . .
C24 C23 C18 119.6(3) . .
C22 C23 C18 119.8(3) . .
C23 C24 C20 120.3(3) . 2_876
C23 C24 H24 119.8 . .
C20 C24 H24 119.8 2_876 .
N7 C25 H25A 109.5 . .
N7 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
N7 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N7 C26 H26A 109.5 . .
N7 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N7 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O12 C27 N7 121.2(3) . .
O12 C27 C28 121.1(3) . .
N7 C27 C28 117.7(3) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N8 C29 H29A 109.5 . .
N8 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N8 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N8 C30 H30A 109.5 . .
N8 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N8 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O13 C31 N8 120.0(4) . .
O13 C31 C32 121.0(3) . .
N8 C31 C32 119.0(4) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O6 2.042(2) .
Co1 N2 2.130(3) .
Co1 N5 2.150(3) .
Co1 O7 2.164(2) .
Co1 O4 2.191(2) .
Co1 O8 2.331(3) .
Co1 O5 2.348(3) .
O1 C6 1.210(4) .
O2 C7 1.213(4) .
O3 N3 1.226(4) .
O4 N3 1.266(4) .
O5 N3 1.259(4) .
O6 H6A 0.851(18) .
O6 H6B 0.828(18) .
O7 N4 1.266(4) .
O8 N4 1.262(4) .
O9 N4 1.226(4) .
O10 C19 1.214(4) .
O11 C18 1.214(4) .
O12 C27 1.233(4) .
O13 C31 1.233(4) .
N1 C7 1.401(4) .
N1 C6 1.405(4) .
N1 C8 1.451(4) .
N2 C11 1.338(4) .
N2 C12 1.338(4) .
N5 C14 1.336(4) .
N5 C13 1.340(4) .
N6 C19 1.389(4) .
N6 C18 1.407(4) .
N6 C17 1.446(4) .
N7 C27 1.332(5) .
N7 C26 1.450(5) .
N7 C25 1.463(5) .
N8 C31 1.328(5) .
N8 C30 1.473(7) .
N8 C29 1.482(6) .
C1 C2 1.377(4) .
C1 C5 1.413(5) 2_545
C1 H1 0.9500 .
C2 C3 1.404(4) .
C2 C7 1.483(4) .
C3 C4 1.409(4) .
C3 C3 1.421(6) 2_545
C4 C5 1.374(4) .
C4 C6 1.480(4) .
C5 C1 1.413(5) 2_545
C5 H5 0.9500 .
C8 C9 1.363(5) .
C8 C10 1.374(5) .
C9 C12 1.386(4) .
C9 H9 0.9500 .
C10 C11 1.385(4) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C16 1.384(4) .
C13 H13 0.9500 .
C14 C15 1.383(4) .
C14 H14 0.9500 .
C15 C17 1.378(4) .
C15 H15 0.9500 .
C16 C17 1.378(4) .
C16 H16 0.9500 .
C18 C23 1.481(4) .
C19 C21 1.483(4) .
C20 C21 1.376(5) .
C20 C24 1.399(5) 2_876
C20 H20 0.9500 .
C21 C22 1.405(4) .
C22 C23 1.413(4) .
C22 C22 1.415(6) 2_876
C23 C24 1.376(5) .
C24 C20 1.399(5) 2_876
C24 H24 0.9500 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28 1.486(5) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.511(6) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
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
O6 Co1 O4 N3 178.72(18) . .
N2 Co1 O4 N3 91.68(18) . .
N5 Co1 O4 N3 -82.99(18) . .
O7 Co1 O4 N3 -3.8(2) . .
O8 Co1 O4 N3 -145.5(4) . .
O5 Co1 O4 N3 4.02(16) . .
O6 Co1 O5 N3 -12.5(2) . .
N2 Co1 O5 N3 -97.25(18) . .
N5 Co1 O5 N3 83.51(18) . .
O7 Co1 O5 N3 170.32(18) . .
O4 Co1 O5 N3 -4.01(16) . .
O8 Co1 O5 N3 166.60(16) . .
O6 Co1 O7 N4 11.1(2) . .
N2 Co1 O7 N4 99.49(19) . .
N5 Co1 O7 N4 -86.13(19) . .
O4 Co1 O7 N4 -165.03(17) . .
O8 Co1 O7 N4 5.21(17) . .
O5 Co1 O7 N4 -171.62(19) . .
O6 Co1 O8 N4 178.6(2) . .
N2 Co1 O8 N4 -94.7(2) . .
N5 Co1 O8 N4 80.6(2) . .
O7 Co1 O8 N4 -5.18(17) . .
O4 Co1 O8 N4 142.7(4) . .
O5 Co1 O8 N4 -0.8(3) . .
O6 Co1 N2 C11 -63.9(3) . .
N5 Co1 N2 C11 84.9(10) . .
O7 Co1 N2 C11 155.9(2) . .
O4 Co1 N2 C11 21.4(2) . .
O8 Co1 N2 C11 -147.6(2) . .
O5 Co1 N2 C11 77.5(2) . .
O6 Co1 N2 C12 122.5(3) . .
N5 Co1 N2 C12 -88.7(10) . .
O7 Co1 N2 C12 -17.7(3) . .
O4 Co1 N2 C12 -152.3(3) . .
O8 Co1 N2 C12 38.8(3) . .
O5 Co1 N2 C12 -96.1(3) . .
Co1 O5 N3 O3 -174.2(3) . .
Co1 O5 N3 O4 6.4(3) . .
Co1 O4 N3 O3 173.7(2) . .
Co1 O4 N3 O5 -7.0(3) . .
Co1 O8 N4 O9 -171.5(3) . .
Co1 O8 N4 O7 8.2(3) . .
Co1 O7 N4 O9 170.8(3) . .
Co1 O7 N4 O8 -8.9(3) . .
O6 Co1 N5 C14 -178.2(2) . .
N2 Co1 N5 C14 33.3(11) . .
O7 Co1 N5 C14 -37.9(2) . .
O4 Co1 N5 C14 97.3(2) . .
O8 Co1 N5 C14 -94.4(2) . .
O5 Co1 N5 C14 40.8(2) . .
O6 Co1 N5 C13 2.6(3) . .
N2 Co1 N5 C13 -145.9(9) . .
O7 Co1 N5 C13 142.8(3) . .
O4 Co1 N5 C13 -82.0(3) . .
O8 Co1 N5 C13 86.3(3) . .
O5 Co1 N5 C13 -138.5(3) . .
C5 C1 C2 C3 -0.5(5) 2_545 .
C5 C1 C2 C7 -179.6(3) 2_545 .
C1 C2 C3 C4 179.8(3) . .
C7 C2 C3 C4 -1.1(5) . .
C1 C2 C3 C3 0.8(6) . 2_545
C7 C2 C3 C3 179.9(4) . 2_545
C2 C3 C4 C5 -179.9(3) . .
C3 C3 C4 C5 -0.9(6) 2_545 .
C2 C3 C4 C6 2.2(5) . .
C3 C3 C4 C6 -178.9(3) 2_545 .
C3 C4 C5 C1 0.6(5) . 2_545
C6 C4 C5 C1 178.6(3) . 2_545
C7 N1 C6 O1 -179.2(3) . .
C8 N1 C6 O1 -0.4(4) . .
C7 N1 C6 C4 0.3(5) . .
C8 N1 C6 C4 179.1(3) . .
C5 C4 C6 O1 -0.3(5) . .
C3 C4 C6 O1 177.7(3) . .
C5 C4 C6 N1 -179.8(3) . .
C3 C4 C6 N1 -1.8(4) . .
C6 N1 C7 O2 -179.5(3) . .
C8 N1 C7 O2 1.8(5) . .
C6 N1 C7 C2 0.7(5) . .
C8 N1 C7 C2 -178.0(3) . .
C1 C2 C7 O2 -1.0(5) . .
C3 C2 C7 O2 179.9(3) . .
C1 C2 C7 N1 178.8(3) . .
C3 C2 C7 N1 -0.3(5) . .
C7 N1 C8 C9 -73.7(4) . .
C6 N1 C8 C9 107.5(4) . .
C7 N1 C8 C10 108.5(4) . .
C6 N1 C8 C10 -70.3(4) . .
C10 C8 C9 C12 5.8(5) . .
N1 C8 C9 C12 -172.0(3) . .
C9 C8 C10 C11 -4.4(5) . .
N1 C8 C10 C11 173.4(3) . .
C12 N2 C11 C10 6.4(5) . .
Co1 N2 C11 C10 -167.7(3) . .
C8 C10 C11 N2 -2.0(5) . .
C11 N2 C12 C9 -4.9(5) . .
Co1 N2 C12 C9 168.9(3) . .
C8 C9 C12 N2 -1.1(5) . .
C14 N5 C13 C16 2.0(5) . .
Co1 N5 C13 C16 -178.6(3) . .
C13 N5 C14 C15 -0.8(5) . .
Co1 N5 C14 C15 179.8(2) . .
N5 C14 C15 C17 -1.1(5) . .
N5 C13 C16 C17 -1.3(6) . .
C14 C15 C17 C16 1.8(5) . .
C14 C15 C17 N6 -178.9(3) . .
C13 C16 C17 C15 -0.6(5) . .
C13 C16 C17 N6 -180.0(3) . .
C19 N6 C17 C15 -96.9(4) . .
C18 N6 C17 C15 83.7(4) . .
C19 N6 C17 C16 82.5(4) . .
C18 N6 C17 C16 -97.0(4) . .
C19 N6 C18 O11 -179.3(3) . .
C17 N6 C18 O11 0.1(4) . .
C19 N6 C18 C23 0.8(5) . .
C17 N6 C18 C23 -179.8(3) . .
C18 N6 C19 O10 179.4(3) . .
C17 N6 C19 O10 0.0(5) . .
C18 N6 C19 C21 0.8(5) . .
C17 N6 C19 C21 -178.6(3) . .
C24 C20 C21 C22 -0.4(6) 2_876 .
C24 C20 C21 C19 -179.2(3) 2_876 .
O10 C19 C21 C20 -1.0(6) . .
N6 C19 C21 C20 177.6(3) . .
O10 C19 C21 C22 -179.8(3) . .
N6 C19 C21 C22 -1.3(5) . .
C20 C21 C22 C23 -178.7(3) . .
C19 C21 C22 C23 0.1(5) . .
C20 C21 C22 C22 1.3(6) . 2_876
C19 C21 C22 C22 -179.9(4) . 2_876
C21 C22 C23 C24 -177.8(3) . .
C22 C22 C23 C24 2.1(6) 2_876 .
C21 C22 C23 C18 1.6(5) . .
C22 C22 C23 C18 -178.5(3) 2_876 .
O11 C18 C23 C24 -2.5(5) . .
N6 C18 C23 C24 177.4(3) . .
O11 C18 C23 C22 178.1(3) . .
N6 C18 C23 C22 -2.0(4) . .
C22 C23 C24 C20 -3.1(6) . 2_876
C18 C23 C24 C20 177.5(3) . 2_876
C26 N7 C27 O12 -1.3(6) . .
C25 N7 C27 O12 -179.5(4) . .
C26 N7 C27 C28 177.7(4) . .
C25 N7 C27 C28 -0.5(6) . .
C30 N8 C31 O13 171.1(7) . .
C29 N8 C31 O13 -4.6(8) . .
C30 N8 C31 C32 -5.5(10) . .
C29 N8 C31 C32 178.7(5) . .
