#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/52/7035224.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_7035224
loop_
_publ_author_name
'Xu, Zhong-Xuan'
'Kang, Yao'
'Han, Min-Le'
'Li, Dong-Sheng'
'Zhang, Jian'
_publ_section_title
;
 Integration of a semi-rigid proline ligand and 4,4'-bipyridine in the
 synthesis of homochiral metal-organic frameworks with helices.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11052
_journal_page_last               11056
_journal_paper_doi               10.1039/c5dt01151e
_journal_volume                  44
_journal_year                    2015
_chemical_absolute_configuration rm
_chemical_formula_sum            'C58 H56 Co3 N8 O20'
_chemical_formula_weight         1361.90
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-21 deposited with the CCDC.
2015-05-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   11.4201(3)
_cell_length_b                   11.4201(3)
_cell_length_c                   41.5158(16)
_cell_measurement_reflns_used    3658
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8230
_cell_measurement_theta_min      2.8340
_cell_volume                     4689.0(3)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0626
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            8768
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    0.866
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange-coloured
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhydron
_exptl_crystal_F_000             2103
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.597
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     414
_refine_ls_number_reflns         5398
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0876P)²+6.0489P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1454
_refine_ls_wR_factor_ref         0.1488
_reflns_number_gt                5039
_reflns_number_total             5398
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt01151e2.cif
_cod_data_source_block           1-D_CCDC-1050241
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035224--7035225.cif.
;
_cod_original_sg_symbol_H-M      P3(1)21
_cod_database_code               7035224
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'-x, -x+y, -z+1/3'
'x-y, -y, -z+2/3'
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 1.0000 0.51843(8) 0.1667 0.0140(2) Uani 1 2 d S . .
Co2 Co 1.10125(7) 0.61137(7) 0.056702(15) 0.01884(19) Uani 1 1 d . . .
O1 O 0.2567(4) -0.3104(4) 0.08860(8) 0.0281(8) Uani 1 1 d . . .
O2 O 0.1668(4) -0.4067(4) 0.13533(9) 0.0309(9) Uani 1 1 d . . .
O3 O 0.4038(6) -0.0303(5) 0.13051(12) 0.0709(19) Uani 1 1 d . . .
O4 O 0.5776(4) 0.0210(4) -0.00770(8) 0.0293(9) Uani 1 1 d . . .
O5 O 0.6867(4) 0.2396(4) -0.01549(8) 0.0313(9) Uani 1 1 d . . .
O6 O 0.9285(4) 0.5315(4) 0.08125(8) 0.0273(9) Uani 1 1 d . . .
O7 O 0.8593(4) 0.4398(4) 0.12980(8) 0.0284(9) Uani 1 1 d . . .
N1 N 0.5041(6) -0.1516(6) 0.11489(13) 0.0498(17) Uani 1 1 d . . .
N2 N 1.0967(5) 0.7993(5) 0.05588(11) 0.0292(11) Uani 1 1 d . . .
N3 N 1.0974(6) 1.4175(5) 0.05413(11) 0.0329(12) Uani 1 1 d . . .
N4 N 1.0000 -0.2934(5) 0.1667 0.0194(12) Uiso 1 2 d S . .
N5 N 1.0000 0.3270(5) 0.1667 0.0226(14) Uani 1 2 d S . .
C1 C 0.2637(5) -0.3326(5) 0.11777(12) 0.0217(11) Uani 1 1 d . . .
C2 C 0.4051(7) -0.2727(8) 0.13235(16) 0.062(3) Uani 1 1 d . . .
H2A H 0.4030 -0.2507 0.1551 0.074 Uiso 1 1 calc R . .
C3 C 0.4635(9) -0.3649(11) 0.1291(3) 0.100(4) Uani 1 1 d . . .
H3A H 0.4559 -0.4105 0.1494 0.120 Uiso 1 1 calc R . .
H3B H 0.4150 -0.4328 0.1127 0.120 Uiso 1 1 calc R . .
C4 C 0.6081(12) -0.2798(14) 0.1199(4) 0.130(5) Uani 1 1 d . . .
H4A H 0.6384 -0.3311 0.1072 0.155 Uiso 1 1 calc R . .
H4B H 0.6652 -0.2439 0.1388 0.155 Uiso 1 1 calc R . .
C5 C 0.6098(8) -0.1678(9) 0.1001(2) 0.068(2) Uani 1 1 d . . .
H5A H 0.6966 -0.0852 0.1016 0.081 Uiso 1 1 calc R . .
H5B H 0.5897 -0.1937 0.0776 0.081 Uiso 1 1 calc R . .
C6 C 0.4889(7) -0.0411(7) 0.11481(15) 0.052(2) Uani 1 1 d . . .
C7 C 0.5829(6) 0.0702(6) 0.09238(13) 0.0376(16) Uani 1 1 d . . .
C8 C 0.5760(6) 0.0524(6) 0.05934(13) 0.0344(15) Uani 1 1 d . . .
H8A H 0.5201 -0.0329 0.0507 0.041 Uiso 1 1 calc R . .
C9 C 0.6520(5) 0.1608(5) 0.03912(12) 0.0239(12) Uani 1 1 d . . .
C10 C 0.7367(5) 0.2868(6) 0.05169(12) 0.0238(12) Uani 1 1 d . . .
H10A H 0.7851 0.3600 0.0380 0.029 Uiso 1 1 calc R . .
C11 C 0.7503(5) 0.3051(6) 0.08511(12) 0.0236(12) Uani 1 1 d . . .
C12 C 0.6697(6) 0.1981(6) 0.10522(12) 0.0319(13) Uani 1 1 d . . .
H12A H 0.6733 0.2113 0.1274 0.038 Uiso 1 1 calc R . .
C13 C 0.6391(5) 0.1398(5) 0.00340(12) 0.0220(11) Uani 1 1 d . . .
C14 C 0.8550(5) 0.4362(5) 0.09983(12) 0.0195(10) Uani 1 1 d . . .
C15 C 0.9816(7) 0.8002(6) 0.0521(2) 0.0496(19) Uani 1 1 d . . .
H15A H 0.9015 0.7179 0.0507 0.060 Uiso 1 1 calc R . .
C16 C 0.9757(8) 0.9169(7) 0.0502(2) 0.059(2) Uani 1 1 d . . .
H16A H 0.8934 0.9131 0.0469 0.070 Uiso 1 1 calc R . .
C17 C 1.0938(8) 1.0408(6) 0.05330(15) 0.0389(16) Uani 1 1 d . . .
C18 C 1.2075(8) 1.0372(7) 0.0574(2) 0.054(2) Uani 1 1 d . . .
H18A H 1.2891 1.1176 0.0596 0.065 Uiso 1 1 calc R . .
C19 C 1.2058(7) 0.9140(6) 0.05838(18) 0.0450(17) Uani 1 1 d . . .
H19A H 1.2873 0.9152 0.0610 0.054 Uiso 1 1 calc R . .
C20 C 1.0929(7) 1.1698(7) 0.05324(16) 0.0390(15) Uiso 1 1 d . . .
C21 C 1.0184(9) 1.1980(8) 0.0308(2) 0.060(2) Uani 1 1 d . . .
H21A H 0.9660 1.1349 0.0152 0.072 Uiso 1 1 calc R . .
C22 C 1.0251(8) 1.3230(7) 0.0325(2) 0.0539(19) Uani 1 1 d . . .
H22A H 0.9757 1.3414 0.0176 0.065 Uiso 1 1 calc R . .
C23 C 1.1457(16) 1.3783(11) 0.0757(2) 0.127(6) Uani 1 1 d . . .
H23A H 1.1826 1.4344 0.0935 0.152 Uiso 1 1 calc R . .
C24 C 1.1496(18) 1.2604(11) 0.0756(3) 0.142(7) Uani 1 1 d . . .
H24A H 1.1946 1.2447 0.0922 0.171 Uiso 1 1 calc R . .
C25 C 0.9363(10) -0.2636(7) 0.18812(19) 0.068(3) Uani 1 1 d . . .
H25A H 0.8910 -0.3264 0.2044 0.082 Uiso 1 1 calc R . .
C26 C 0.9308(10) -0.1469(7) 0.1886(2) 0.068(3) Uani 1 1 d . . .
H26A H 0.8793 -0.1345 0.2041 0.081 Uiso 1 1 calc R . .
C27 C 1.0000 -0.0501(6) 0.1667 0.031(2) Uani 1 2 d S . .
C28 C 1.0000 0.0815(7) 0.1667 0.0309(19) Uani 1 2 d S . .
C29 C 0.8816(7) 0.0855(7) 0.17130(18) 0.0434(17) Uani 1 1 d . . .
H29A H 0.7998 0.0062 0.1746 0.052 Uiso 1 1 calc R . .
C30 C 0.8876(7) 0.2105(6) 0.17092(16) 0.0396(16) Uani 1 1 d . . .
H30A H 0.8075 0.2118 0.1738 0.048 Uiso 1 1 calc R . .
O1W O 0.3875(8) 0.2142(9) 0.1260(2) 0.108(3) Uani 1 1 d . . .
O2W O 0.5182(11) -0.2407(10) 0.0116(2) 0.127(3) Uani 1 1 d . A 1
O3W O 0.6384(19) 0.487(2) 0.1380(4) 0.112(6) Uani 0.50 1 d P B 2
O4W O 0.510(3) 0.394(4) 0.0646(10) 0.137(16) Uani 0.25 1 d P C 3
O5W O 0.644(3) 0.627(4) 0.0357(6) 0.119(15) Uani 0.25 1 d P D 4
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'
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'
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
O7 Co1 O7 174.8(2) 5_765 .
O7 Co1 O2 93.89(16) 5_765 5_665
O7 Co1 O2 85.86(16) . 5_665
O7 Co1 O2 85.86(16) 5_765 1_665
O7 Co1 O2 93.89(16) . 1_665
O2 Co1 O2 174.7(2) 5_665 1_665
O7 Co1 N4 92.62(12) 5_765 1_565
O7 Co1 N4 92.62(12) . 1_565
O2 Co1 N4 92.66(11) 5_665 1_565
O2 Co1 N4 92.66(11) 1_665 1_565
O7 Co1 N5 87.38(12) 5_765 .
O7 Co1 N5 87.38(12) . .
O2 Co1 N5 87.34(11) 5_665 .
O2 Co1 N5 87.34(11) 1_665 .
N4 Co1 N5 180.000(2) 1_565 .
O6 Co2 O1 108.43(15) . 1_665
O6 Co2 N2 87.30(17) . .
O1 Co2 N2 91.32(18) 1_665 .
O6 Co2 O4 99.41(15) . 4_655
O1 Co2 O4 151.99(15) 1_665 4_655
N2 Co2 O4 86.82(17) . 4_655
O6 Co2 O5 159.08(15) . 4_655
O1 Co2 O5 92.09(14) 1_665 4_655
N2 Co2 O5 88.19(17) . 4_655
O4 Co2 O5 59.92(14) 4_655 4_655
O6 Co2 N3 92.72(19) . 1_545
O1 Co2 N3 92.73(19) 1_665 1_545
N2 Co2 N3 175.72(18) . 1_545
O4 Co2 N3 88.95(17) 4_655 1_545
O5 Co2 N3 90.29(17) 4_655 1_545
C1 O1 Co2 132.4(3) . 1_445
C1 O2 Co1 163.6(4) . 1_445
C13 O4 Co2 90.1(3) . 4_545
C13 O5 Co2 89.9(3) . 4_545
C14 O6 Co2 142.4(4) . .
C14 O7 Co1 139.6(4) . .
C6 N1 C5 128.4(6) . .
C6 N1 C2 118.8(7) . .
C5 N1 C2 112.8(7) . .
C19 N2 C15 117.5(6) . .
C19 N2 Co2 121.1(4) . .
C15 N2 Co2 121.4(4) . .
C23 N3 C22 113.6(6) . .
C23 N3 Co2 122.6(5) . 1_565
C22 N3 Co2 122.9(5) . 1_565
C25 N4 C25 114.3(7) . 5_765
C25 N4 Co1 122.8(4) . 1_545
C25 N4 Co1 122.8(4) 5_765 1_545
C30 N5 C30 117.1(7) . 5_765
C30 N5 Co1 121.4(4) . .
C30 N5 Co1 121.4(4) 5_765 .
O2 C1 O1 125.7(5) . .
O2 C1 C2 117.1(5) . .
O1 C1 C2 117.0(5) . .
N1 C2 C3 102.3(7) . .
N1 C2 C1 111.7(5) . .
C3 C2 C1 112.9(7) . .
N1 C2 H2A 109.9 . .
C3 C2 H2A 109.9 . .
C1 C2 H2A 109.9 . .
C4 C3 C2 107.5(9) . .
C4 C3 H3A 110.2 . .
C2 C3 H3A 110.2 . .
C4 C3 H3B 110.2 . .
C2 C3 H3B 110.2 . .
H3A C3 H3B 108.5 . .
C3 C4 C5 103.4(9) . .
C3 C4 H4A 111.1 . .
C5 C4 H4A 111.1 . .
C3 C4 H4B 111.1 . .
C5 C4 H4B 111.1 . .
H4A C4 H4B 109.0 . .
N1 C5 C4 102.7(7) . .
N1 C5 H5A 111.2 . .
C4 C5 H5A 111.2 . .
N1 C5 H5B 111.2 . .
C4 C5 H5B 111.2 . .
H5A C5 H5B 109.1 . .
O3 C6 N1 124.7(6) . .
O3 C6 C7 120.6(8) . .
N1 C6 C7 114.7(7) . .
C8 C7 C12 119.4(5) . .
C8 C7 C6 121.6(5) . .
C12 C7 C6 118.7(5) . .
C7 C8 C9 120.4(5) . .
C7 C8 H8A 119.8 . .
C9 C8 H8A 119.8 . .
C10 C9 C8 120.3(5) . .
C10 C9 C13 120.4(5) . .
C8 C9 C13 119.3(5) . .
C9 C10 C11 120.0(5) . .
C9 C10 H10A 120.0 . .
C11 C10 H10A 120.0 . .
C12 C11 C10 119.4(5) . .
C12 C11 C14 118.8(4) . .
C10 C11 C14 121.7(5) . .
C11 C12 C7 120.3(5) . .
C11 C12 H12A 119.9 . .
C7 C12 H12A 119.9 . .
O5 C13 O4 120.1(5) . .
O5 C13 C9 120.5(5) . .
O4 C13 C9 119.4(5) . .
O7 C14 O6 126.1(5) . .
O7 C14 C11 116.0(4) . .
O6 C14 C11 117.9(4) . .
N2 C15 C16 123.0(7) . .
N2 C15 H15A 118.5 . .
C16 C15 H15A 118.5 . .
C15 C16 C17 119.4(7) . .
C15 C16 H16A 120.3 . .
C17 C16 H16A 120.3 . .
C18 C17 C16 116.4(6) . .
C18 C17 C20 121.6(7) . .
C16 C17 C20 121.9(7) . .
C17 C18 C19 120.8(7) . .
C17 C18 H18A 119.6 . .
C19 C18 H18A 119.6 . .
N2 C19 C18 122.8(7) . .
N2 C19 H19A 118.6 . .
C18 C19 H19A 118.6 . .
C24 C20 C21 114.2(7) . .
C24 C20 C17 123.0(7) . .
C21 C20 C17 122.4(6) . .
C22 C21 C20 118.1(7) . .
C22 C21 H21A 120.9 . .
C20 C21 H21A 120.9 . .
N3 C22 C21 124.2(7) . .
N3 C22 H22A 117.9 . .
C21 C22 H22A 117.9 . .
N3 C23 C24 126.1(8) . .
N3 C23 H23A 116.9 . .
C24 C23 H23A 116.9 . .
C20 C24 C23 122.5(9) . .
C20 C24 H24A 118.7 . .
C23 C24 H24A 118.7 . .
N4 C25 C26 124.8(7) . .
N4 C25 H25A 117.6 . .
C26 C25 H25A 117.6 . .
C27 C26 C25 119.9(7) . .
C27 C26 H26A 120.0 . .
C25 C26 H26A 120.0 . .
C26 C27 C26 116.1(8) . 5_765
C26 C27 C28 122.0(4) . .
C26 C27 C28 122.0(4) 5_765 .
C29 C28 C29 117.4(8) . 5_765
C29 C28 C27 121.3(4) . .
C29 C28 C27 121.3(4) 5_765 .
C28 C29 C30 118.8(7) . .
C28 C29 H29A 120.6 . .
C30 C29 H29A 120.6 . .
N5 C30 C29 123.9(6) . .
N5 C30 H30A 118.0 . .
C29 C30 H30A 118.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O7 2.071(4) 5_765
Co1 O7 2.071(4) .
Co1 O2 2.103(4) 5_665
Co1 O2 2.103(4) 1_665
Co1 N4 2.149(6) 1_565
Co1 N5 2.187(6) .
Co2 O6 1.991(4) .
Co2 O1 2.029(4) 1_665
Co2 N2 2.173(5) .
Co2 O4 2.185(4) 4_655
Co2 O5 2.192(4) 4_655
Co2 N3 2.195(5) 1_545
O1 C1 1.248(6) .
O1 Co2 2.029(4) 1_445
O2 C1 1.239(6) .
O2 Co1 2.103(3) 1_445
O3 C6 1.227(10) .
O4 C13 1.262(6) .
O4 Co2 2.185(4) 4_545
O5 C13 1.261(6) .
O5 Co2 2.192(4) 4_545
O6 C14 1.253(6) .
O7 C14 1.245(6) .
N1 C6 1.356(11) .
N1 C5 1.447(11) .
N1 C2 1.467(8) .
N2 C19 1.283(8) .
N2 C15 1.329(8) .
N3 C23 1.246(10) .
N3 C22 1.326(9) .
N3 Co2 2.195(5) 1_565
N4 C25 1.299(8) .
N4 C25 1.299(8) 5_765
N4 Co1 2.149(6) 1_545
N5 C30 1.320(7) .
N5 C30 1.320(7) 5_765
C1 C2 1.529(9) .
C2 C3 1.508(14) .
C2 H2A 0.9800 .
C3 C4 1.488(14) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.513(14) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.508(8) .
C7 C8 1.383(7) .
C7 C12 1.397(8) .
C8 C9 1.384(8) .
C8 H8A 0.9300 .
C9 C10 1.374(8) .
C9 C13 1.498(7) .
C10 C11 1.400(7) .
C10 H10A 0.9300 .
C11 C12 1.383(7) .
C11 C14 1.502(7) .
C12 H12A 0.9300 .
C15 C16 1.369(9) .
C15 H15A 0.9300 .
C16 C17 1.389(11) .
C16 H16A 0.9300 .
C17 C18 1.331(11) .
C17 C20 1.478(9) .
C18 C19 1.398(9) .
C18 H18A 0.9300 .
C19 H19A 0.9300 .
C20 C24 1.298(11) .
C20 C21 1.404(10) .
C21 C22 1.393(10) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.369(12) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
C25 C26 1.365(9) .
C25 H25A 0.9300 .
C26 C27 1.343(8) .
C26 H26A 0.9300 .
C27 C26 1.343(8) 5_765
C27 C28 1.503(10) .
C28 C29 1.389(7) .
C28 C29 1.389(7) 5_765
C29 C30 1.395(9) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
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
O1 Co2 O6 C14 -68.5(6) 1_665 .
N2 Co2 O6 C14 -159.0(6) . .
O4 Co2 O6 C14 114.7(5) 4_655 .
O5 Co2 O6 C14 123.2(6) 4_655 .
N3 Co2 O6 C14 25.3(6) 1_545 .
O7 Co1 O7 C14 -91.9(5) 5_765 .
O2 Co1 O7 C14 -179.4(6) 5_665 .
O2 Co1 O7 C14 -4.8(6) 1_665 .
N4 Co1 O7 C14 88.1(5) 1_565 .
N5 Co1 O7 C14 -91.9(5) . .
O6 Co2 N2 C19 143.2(5) . .
O1 Co2 N2 C19 34.8(5) 1_665 .
O4 Co2 N2 C19 -117.2(5) 4_655 .
O5 Co2 N2 C19 -57.3(5) 4_655 .
N3 Co2 N2 C19 -127(3) 1_545 .
O6 Co2 N2 C15 -38.3(5) . .
O1 Co2 N2 C15 -146.6(5) 1_665 .
O4 Co2 N2 C15 61.3(5) 4_655 .
O5 Co2 N2 C15 121.3(5) 4_655 .
N3 Co2 N2 C15 52(3) 1_545 .
O7 Co1 N5 C30 123.3(4) 5_765 .
O7 Co1 N5 C30 -56.7(4) . .
O2 Co1 N5 C30 29.2(4) 5_665 .
O2 Co1 N5 C30 -150.8(4) 1_665 .
N4 Co1 N5 C30 69(100) 1_565 .
O7 Co1 N5 C30 -56.7(4) 5_765 5_765
O7 Co1 N5 C30 123.3(4) . 5_765
O2 Co1 N5 C30 -150.8(4) 5_665 5_765
O2 Co1 N5 C30 29.2(4) 1_665 5_765
N4 Co1 N5 C30 -111(100) 1_565 5_765
Co1 O2 C1 O1 -86.4(15) 1_445 .
Co1 O2 C1 C2 99.1(15) 1_445 .
Co2 O1 C1 O2 -5.8(9) 1_445 .
Co2 O1 C1 C2 168.7(5) 1_445 .
C6 N1 C2 C3 -175.2(7) . .
C5 N1 C2 C3 3.7(9) . .
C6 N1 C2 C1 63.7(8) . .
C5 N1 C2 C1 -117.4(7) . .
O2 C1 C2 N1 -158.6(6) . .
O1 C1 C2 N1 26.4(9) . .
O2 C1 C2 C3 86.8(8) . .
O1 C1 C2 C3 -88.2(7) . .
N1 C2 C3 C4 17.8(12) . .
C1 C2 C3 C4 138.0(9) . .
C2 C3 C4 C5 -31.7(14) . .
C6 N1 C5 C4 155.9(9) . .
C2 N1 C5 C4 -22.8(10) . .
C3 C4 C5 N1 32.3(13) . .
C5 N1 C6 O3 -172.6(7) . .
C2 N1 C6 O3 6.1(10) . .
C5 N1 C6 C7 9.8(10) . .
C2 N1 C6 C7 -171.5(5) . .
O3 C6 C7 C8 -112.9(8) . .
N1 C6 C7 C8 64.8(9) . .
O3 C6 C7 C12 60.8(9) . .
N1 C6 C7 C12 -121.6(7) . .
C12 C7 C8 C9 -1.5(11) . .
C6 C7 C8 C9 172.1(7) . .
C7 C8 C9 C10 1.1(10) . .
C7 C8 C9 C13 -177.9(6) . .
C8 C9 C10 C11 2.3(9) . .
C13 C9 C10 C11 -178.7(5) . .
C9 C10 C11 C12 -5.2(9) . .
C9 C10 C11 C14 171.6(5) . .
C10 C11 C12 C7 4.8(10) . .
C14 C11 C12 C7 -172.1(6) . .
C8 C7 C12 C11 -1.5(11) . .
C6 C7 C12 C11 -175.3(7) . .
Co2 O5 C13 O4 -0.1(5) 4_545 .
Co2 O5 C13 C9 -178.7(5) 4_545 .
Co2 O4 C13 O5 0.1(5) 4_545 .
Co2 O4 C13 C9 178.7(4) 4_545 .
C10 C9 C13 O5 -12.2(8) . .
C8 C9 C13 O5 166.8(6) . .
C10 C9 C13 O4 169.2(5) . .
C8 C9 C13 O4 -11.9(8) . .
Co1 O7 C14 O6 -38.9(9) . .
Co1 O7 C14 C11 141.9(5) . .
Co2 O6 C14 O7 91.9(7) . .
Co2 O6 C14 C11 -88.9(7) . .
C12 C11 C14 O7 -1.8(8) . .
C10 C11 C14 O7 -178.7(5) . .
C12 C11 C14 O6 179.0(5) . .
C10 C11 C14 O6 2.1(8) . .
C19 N2 C15 C16 1.3(12) . .
Co2 N2 C15 C16 -177.3(6) . .
N2 C15 C16 C17 -2.1(14) . .
C15 C16 C17 C18 1.3(12) . .
C15 C16 C17 C20 -176.6(7) . .
C16 C17 C18 C19 0.1(12) . .
C20 C17 C18 C19 178.0(7) . .
C15 N2 C19 C18 0.2(11) . .
Co2 N2 C19 C18 178.8(6) . .
C17 C18 C19 N2 -0.9(13) . .
C18 C17 C20 C24 -50.2(14) . .
C16 C17 C20 C24 127.6(12) . .
C18 C17 C20 C21 136.8(9) . .
C16 C17 C20 C21 -45.5(11) . .
C24 C20 C21 C22 6.9(14) . .
C17 C20 C21 C22 -179.4(8) . .
C23 N3 C22 C21 -9.0(14) . .
Co2 N3 C22 C21 -178.5(7) 1_565 .
C20 C21 C22 N3 -0.1(14) . .
C22 N3 C23 C24 12(2) . .
Co2 N3 C23 C24 -178.7(14) 1_565 .
C21 C20 C24 C23 -5(2) . .
C17 C20 C24 C23 -178.6(14) . .
N3 C23 C24 C20 -5(3) . .
C25 N4 C25 C26 1.6(9) 5_765 .
Co1 N4 C25 C26 -178.4(9) 1_545 .
N4 C25 C26 C27 -3.3(17) . .
C25 C26 C27 C26 1.5(8) . 5_765
C25 C26 C27 C28 -178.5(8) . .
C26 C27 C28 C29 -43.8(6) . .
C26 C27 C28 C29 136.2(6) 5_765 .
C26 C27 C28 C29 136.2(6) . 5_765
C26 C27 C28 C29 -43.8(6) 5_765 5_765
C29 C28 C29 C30 0.3(5) 5_765 .
C27 C28 C29 C30 -179.7(5) . .
C30 N5 C30 C29 0.3(5) 5_765 .
Co1 N5 C30 C29 -179.7(5) . .
C28 C29 C30 N5 -0.6(10) . .
