#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:14:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179886 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/82/7018253.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_7018253
loop_
_publ_author_name
'Zhao, Jun'
'Li, Dong-Sheng'
'Ke, Xi-Jun'
'Liu, Bin'
'Zou, Kun'
'Hu, Huai-Ming'
_publ_section_title
;
 Auxiliary ligand-directed structural variation from 2D→ 3D
 polythreaded net to 3-fold interpenetrating 3D pillar-layered framework:
 Syntheses, crystal structures and magnetic properties.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2560
_journal_page_last               2563
_journal_paper_doi               10.1039/c2dt12170k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C56 H48 Co3 N12 O30'
_chemical_formula_weight         1545.85
_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                111.0698(15)
_cell_angle_beta                 103.8861(16)
_cell_angle_gamma                105.9504(15)
_cell_formula_units_Z            1
_cell_length_a                   10.9824(10)
_cell_length_b                   12.3083(11)
_cell_length_c                   13.3287(12)
_cell_measurement_reflns_used    2793
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      1.93
_cell_volume                     1496.8(2)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0697
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9559
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick,1997'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             789
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.383
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         5212
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0793P)²+1.0617P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1479
_refine_ls_wR_factor_ref         0.1563
_reflns_number_gt                4251
_reflns_number_total             5212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12170k.txt
_cod_data_source_block           090914em
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018253
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 1.0000 0.0000 0.0000 0.0226(2) Uani 1 2 d S . .
Co2 Co 0.82459(6) 0.18369(5) 0.18900(5) 0.02104(19) Uani 1 1 d . . .
C1 C 0.6747(7) 0.3105(7) 0.3335(6) 0.069(2) Uani 1 1 d . A .
H1 H 0.7551 0.3746 0.3932 0.083 Uiso 1 1 calc R . .
N3 N 0.4569(5) 0.1985(5) 0.2304(4) 0.0634(15) Uani 1 1 d . A .
C2 C 0.5328(5) 0.1520(5) 0.1817(5) 0.0464(14) Uani 1 1 d . . .
H2 H 0.4962 0.0782 0.1119 0.056 Uiso 1 1 calc R . .
C3 C 0.5119(17) 0.3566(17) 0.4323(15) 0.069(5) Uani 0.59(2) 1 d P A 1
H3A H 0.4276 0.2983 0.4267 0.083 Uiso 0.59(2) 1 d PR A 1
H3B H 0.5841 0.3823 0.5050 0.083 Uiso 0.59(2) 1 d PR A 1
C4 C 0.4945(14) 0.4704(14) 0.4218(13) 0.069(5) Uani 0.59(2) 1 d P . 1
H4A H 0.4452 0.4462 0.3411 0.083 Uiso 0.59(2) 1 d PR A 1
H4B H 0.5838 0.5365 0.4475 0.083 Uiso 0.59(2) 1 d PR A 1
C3' C 0.487(3) 0.385(3) 0.382(2) 0.069(7) Uani 0.41(2) 1 d P A 1
H3'1 H 0.4687 0.4296 0.3371 0.083 Uiso 0.41(2) 1 d PR A 1
H3'2 H 0.4006 0.3369 0.3827 0.083 Uiso 0.41(2) 1 d PR A 1
C4' C 0.5848(19) 0.4778(18) 0.5040(17) 0.069(7) Uani 0.41(2) 1 d P . 1
H4'1 H 0.6328 0.4363 0.5377 0.083 Uiso 0.41(2) 1 d PR A 1
H4'2 H 0.6518 0.5475 0.5032 0.083 Uiso 0.41(2) 1 d PR A 1
C5 C 0.7433(4) -0.1475(4) 0.2167(4) 0.0216(9) Uani 1 1 d . . .
C6 C 0.8149(4) -0.1442(4) 0.3203(4) 0.0229(9) Uani 1 1 d . . .
H6 H 0.8781 -0.0672 0.3825 0.027 Uiso 1 1 calc R . .
C7 C 0.7917(4) -0.2565(4) 0.3307(4) 0.0256(10) Uani 1 1 d . . .
C8 C 0.6972(4) -0.3696(4) 0.2388(4) 0.0279(10) Uani 1 1 d . . .
H8 H 0.6812 -0.4442 0.2459 0.033 Uiso 1 1 calc R . .
C9 C 0.6253(4) -0.3740(4) 0.1357(4) 0.0262(10) Uani 1 1 d . . .
C10 C 0.6489(4) -0.2621(4) 0.1249(4) 0.0261(10) Uani 1 1 d . . .
H10 H 0.6009 -0.2648 0.0557 0.031 Uiso 1 1 calc R . .
C11 C 0.7685(4) -0.0272(4) 0.2061(4) 0.0213(9) Uani 1 1 d . . .
C12 C 0.8704(5) -0.2520(4) 0.4402(4) 0.0290(10) Uani 1 1 d . . .
C13 C 0.7226(4) 0.2898(4) -0.0649(4) 0.0228(9) Uani 1 1 d . . .
C14 C 0.7874(5) 0.4153(4) -0.0404(4) 0.0273(10) Uani 1 1 d . . .
H14 H 0.8540 0.4729 0.0328 0.033 Uiso 1 1 calc R . .
C15 C 0.7539(4) 0.4561(4) -0.1236(4) 0.0256(10) Uani 1 1 d . . .
C16 C 0.6546(4) 0.3693(4) -0.2328(4) 0.0245(9) Uani 1 1 d . . .
H16 H 0.6330 0.3955 -0.2895 0.029 Uiso 1 1 calc R . .
C17 C 0.5873(4) 0.2439(4) -0.2580(4) 0.0231(9) Uani 1 1 d . . .
C18 C 0.6232(4) 0.2038(4) -0.1739(4) 0.0251(10) Uani 1 1 d . . .
H18 H 0.5804 0.1193 -0.1911 0.030 Uiso 1 1 calc R . .
C19 C 0.3172(4) -0.0239(4) -0.5090(4) 0.0239(9) Uani 1 1 d . . .
C20 C 0.2549(4) -0.1512(4) -0.5377(4) 0.0266(10) Uani 1 1 d . . .
H20 H 0.2835 -0.1813 -0.4854 0.032 Uiso 1 1 calc R . .
C21 C 0.1495(4) -0.2335(4) -0.6450(4) 0.0253(10) Uani 1 1 d . . .
C22 C 0.1063(4) -0.1879(4) -0.7224(4) 0.0240(9) Uani 1 1 d . . .
H22 H 0.0360 -0.2433 -0.7943 0.029 Uiso 1 1 calc R . .
C23 C 0.1674(4) -0.0607(4) -0.6931(4) 0.0219(9) Uani 1 1 d . . .
C24 C 0.2725(4) 0.0214(4) -0.5863(4) 0.0248(9) Uani 1 1 d . . .
H24 H 0.3134 0.1071 -0.5662 0.030 Uiso 1 1 calc R . .
C25 C 0.7598(4) 0.2469(4) 0.0266(4) 0.0256(10) Uani 1 1 d . . .
C26 C 0.8249(5) 0.5895(4) -0.0988(4) 0.0313(11) Uani 1 1 d . . .
C27 C 0.0837(5) -0.3692(4) -0.6747(4) 0.0289(10) Uani 1 1 d . . .
C28 C 0.1185(4) -0.0053(4) -0.7719(4) 0.0231(9) Uani 1 1 d . . .
N1 N 0.6677(4) 0.2189(4) 0.2400(3) 0.0279(8) Uani 1 1 d . . .
N2 N 0.5496(6) 0.2973(5) 0.3294(5) 0.0688(16) Uani 1 1 d . . .
N5 N 0.4843(4) 0.1661(3) -0.3714(3) 0.0270(8) Uani 1 1 d . . .
N6 N 0.4232(4) 0.0524(4) -0.3958(3) 0.0281(8) Uani 1 1 d . . .
N4 N 0.5296(4) -0.4958(4) 0.0487(3) 0.0324(9) Uani 1 1 d . . .
O1 O 0.7035(3) -0.0294(3) 0.1137(3) 0.0306(7) Uani 1 1 d . . .
O2 O 0.8557(3) 0.0781(3) 0.2891(3) 0.0302(7) Uani 1 1 d . . .
O3 O 0.9597(4) -0.1369(3) 0.5156(3) 0.0445(9) Uani 1 1 d . . .
H3 H 0.9997 -0.1373 0.5758 0.053 Uiso 1 1 calc R . .
O4 O 0.8571(4) -0.3435(3) 0.4563(3) 0.0548(11) Uani 1 1 d . . .
O5 O 0.7021(3) 0.1346(3) 0.0045(3) 0.0370(8) Uani 1 1 d . . .
O6 O 0.8507(3) 0.3256(3) 0.1260(3) 0.0318(7) Uani 1 1 d . . .
O7 O 0.8936(5) 0.6658(3) 0.0125(3) 0.0561(11) Uani 1 1 d . . .
H7 H 0.9209 0.7396 0.0230 0.067 Uiso 1 1 calc R . .
O8 O 0.8222(4) 0.6235(3) -0.1731(3) 0.0424(9) Uani 1 1 d . . .
O9 O 0.1548(3) 0.1124(3) -0.7258(3) 0.0336(8) Uani 1 1 d . . .
O10 O 0.0427(3) -0.0778(3) -0.8783(3) 0.0284(7) Uani 1 1 d . . .
O11 O -0.0209(4) -0.4338(3) -0.7750(3) 0.0497(10) Uani 1 1 d . . .
H11 H -0.0476 -0.5097 -0.7927 0.060 Uiso 1 1 calc R . .
O12 O 0.1227(4) -0.4161(3) -0.6143(3) 0.0441(9) Uani 1 1 d . . .
O13 O 0.9740(4) 0.3408(3) 0.3471(3) 0.0384(10) Uani 1 1 d . . .
H13A H 1.002(7) 0.400(6) 0.360(6) 0.058 Uiso 1 1 d . . .
H13B H 1.013(7) 0.343(6) 0.396(5) 0.058 Uiso 1 1 d . . .
O14 O 0.9907(3) 0.1537(3) 0.1377(3) 0.0232(7) Uani 1 1 d D . .
H14B H 1.027(4) 0.223(3) 0.146(4) 0.028 Uiso 1 1 d D . .
H14A H 1.031(4) 0.143(4) 0.192(3) 0.028 Uiso 1 1 d D . .
O15 O 1.1997(3) 0.1124(3) 0.0533(3) 0.0318(8) Uani 1 1 d D . .
H15B H 1.237(4) 0.090(5) 0.008(3) 0.038 Uiso 1 1 d D . .
H15A H 1.249(4) 0.136(5) 0.120(2) 0.038 Uiso 1 1 d 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'
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
O15 Co1 O15 180.0 . 2_755
O15 Co1 O14 86.72(12) . .
O15 Co1 O14 93.28(12) 2_755 .
O15 Co1 O14 93.28(12) . 2_755
O15 Co1 O14 86.72(12) 2_755 2_755
O14 Co1 O14 180.0 . 2_755
O15 Co1 O10 86.87(12) . 2_654
O15 Co1 O10 93.13(12) 2_755 2_654
O14 Co1 O10 92.54(11) . 2_654
O14 Co1 O10 87.46(11) 2_755 2_654
O15 Co1 O10 93.13(12) . 1_656
O15 Co1 O10 86.87(12) 2_755 1_656
O14 Co1 O10 87.46(11) . 1_656
O14 Co1 O10 92.54(11) 2_755 1_656
O10 Co1 O10 179.999(1) 2_654 1_656
N1 Co2 O13 90.42(16) . .
N1 Co2 O14 178.13(13) . .
O13 Co2 O14 88.31(15) . .
N1 Co2 O6 92.59(13) . .
O13 Co2 O6 82.75(12) . .
O14 Co2 O6 85.89(11) . .
N1 Co2 O2 93.65(13) . .
O13 Co2 O2 82.39(12) . .
O14 Co2 O2 87.54(11) . .
O6 Co2 O2 163.92(12) . .
N1 Co2 O5 90.10(14) . .
O13 Co2 O5 141.15(12) . .
O14 Co2 O5 90.03(12) . .
O6 Co2 O5 58.42(11) . .
O2 Co2 O5 136.31(11) . .
N1 Co2 O1 90.15(13) . .
O13 Co2 O1 140.06(11) . .
O14 Co2 O1 91.70(11) . .
O6 Co2 O1 137.10(11) . .
O2 Co2 O1 57.72(11) . .
O5 Co2 O1 78.78(11) . .
N1 C1 N2 109.5(6) . .
N1 C1 H1 125.3 . .
N2 C1 H1 125.3 . .
C2 N3 N2 102.3(4) . .
N3 C2 N1 114.8(5) . .
N3 C2 H2 122.6 . .
N1 C2 H2 122.6 . .
C4' C3 N2 117.5(15) . .
C4 C3 N2 102.6(14) . .
C3' C3 H3A 105.3 . .
C4' C3 H3A 130.7 . .
C4 C3 H3A 111.2 . .
N2 C3 H3A 111.2 . .
C3' C3 H3B 140.9 . .
C4 C3 H3B 111.2 . .
N2 C3 H3B 111.2 . .
C4' C3 H3'2 112.2 . .
H3A C3 H3'2 50.7 . .
H3B C3 H3'2 149.1 . .
C3' C3 H4'1 120.7 . .
N2 C3 H4'1 111.0 . .
H3A C3 H4'1 124.8 . .
H3'2 C3 H4'1 146.7 . .
C3' C4 C4' 130(2) . 2_666
C4' C4 C4' 94.9(15) . 2_666
C3 C4 C4' 111.0(14) . 2_666
C3' C4 C4 117(3) . 2_666
C4' C4 H4A 155.4 . .
C3 C4 H4A 109.4 . .
C4' C4 H4A 109.4 2_666 .
C4 C4 H4A 149.9 2_666 .
C3' C4 H4B 115.8 . .
C3 C4 H4B 109.4 . .
C4' C4 H4B 109.4 2_666 .
H4A C4 H4B 108.0 . .
C4' C4 H3'1 133.5 . .
C4' C4 H3'1 130.5 2_666 .
C4 C4 H3'1 168.0 2_666 .
H4B C4 H3'1 101.7 . .
H4B C4 H3'2 153.2 . .
C3' C4 H4'2 104.0 . .
C4' C4 H4'2 105.8 2_666 .
H4A C4 H4'2 132.1 . .
H3'1 C4 H4'2 119.0 . .
H3'2 C4 H4'2 131.0 . .
C4 C3' H3A 115.2 . .
C3 C3' H4A 160.2 . .
N2 C3' H4A 125.1 . .
C4' C3' H4A 105.8 . .
H3A C3' H4A 133.8 . .
C3 C3' H3'1 170.6 . .
N2 C3' H3'1 110.1 . .
C4' C3' H3'1 110.1 . .
H3A C3' H3'1 146.2 . .
C4 C3' H3'2 101.3 . .
N2 C3' H3'2 110.1 . .
C4' C3' H3'2 110.1 . .
H4A C3' H3'2 96.9 . .
H3'1 C3' H3'2 108.4 . .
C3 C4' C4 109.4(14) . 2_666
C3' C4' C4 109.7(17) . 2_666
C4 C4' H3B 117.7 . .
C4 C4' H3B 108.9 2_666 .
C3 C4' H4B 108.1 . .
C4 C4' H4B 100.3 2_666 .
H3B C4' H4B 145.7 . .
C4 C4' H4'1 149.1 . .
C3' C4' H4'1 109.7 . .
C4 C4' H4'1 109.7 2_666 .
H4B C4' H4'1 146.0 . .
C4 C4' H4'2 90.8 . .
C3 C4' H4'2 135.6 . .
C3' C4' H4'2 109.7 . .
C4 C4' H4'2 109.7 2_666 .
H3B C4' H4'2 133.4 . .
H4'1 C4' H4'2 108.2 . .
C10 C5 C6 119.6(4) . .
C10 C5 C11 120.5(4) . .
C6 C5 C11 119.9(4) . .
C5 C6 C7 120.1(4) . .
C5 C6 H6 119.9 . .
C7 C6 H6 119.9 . .
C8 C7 C6 119.6(4) . .
C8 C7 C12 120.8(4) . .
C6 C7 C12 119.6(4) . .
C7 C8 C9 120.8(4) . .
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 . .
C8 C9 C10 119.7(4) . .
C8 C9 N4 115.2(4) . .
C10 C9 N4 125.1(4) . .
C5 C10 C9 120.2(4) . .
C5 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
O1 C11 O2 118.8(4) . .
O1 C11 C5 120.2(4) . .
O2 C11 C5 121.1(4) . .
O4 C12 O3 124.1(4) . .
O4 C12 C7 123.9(4) . .
O3 C12 C7 111.9(4) . .
C18 C13 C14 119.7(4) . .
C18 C13 C25 120.1(4) . .
C14 C13 C25 120.2(4) . .
C13 C14 C15 120.8(4) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C14 C15 C16 119.2(4) . .
C14 C15 C26 121.0(4) . .
C16 C15 C26 119.7(4) . .
C17 C16 C15 120.7(4) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C16 C17 C18 119.5(4) . .
C16 C17 N5 115.0(4) . .
C18 C17 N5 125.5(4) . .
C13 C18 C17 120.1(4) . .
C13 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C20 C19 C24 120.1(4) . .
C20 C19 N6 114.8(4) . .
C24 C19 N6 125.0(4) . .
C19 C20 C21 119.6(4) . .
C19 C20 H20 120.2 . .
C21 C20 H20 120.2 . .
C20 C21 C22 120.0(4) . .
C20 C21 C27 119.1(4) . .
C22 C21 C27 120.9(4) . .
C23 C22 C21 120.3(4) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C24 119.8(4) . .
C22 C23 C28 122.2(4) . .
C24 C23 C28 118.0(4) . .
C23 C24 C19 120.2(4) . .
C23 C24 H24 119.9 . .
C19 C24 H24 119.9 . .
O5 C25 O6 119.9(4) . .
O5 C25 C13 120.2(4) . .
O6 C25 C13 120.0(4) . .
O8 C26 O7 123.7(4) . .
O8 C26 C15 123.4(4) . .
O7 C26 C15 112.9(4) . .
O12 C27 O11 123.7(4) . .
O12 C27 C21 123.8(4) . .
O11 C27 C21 112.4(4) . .
O9 C28 O10 123.4(4) . .
O9 C28 C23 116.4(4) . .
O10 C28 C23 120.2(4) . .
C1 N1 C2 102.9(4) . .
C1 N1 Co2 129.8(4) . .
C2 N1 Co2 127.3(3) . .
C1 N2 N3 110.4(5) . .
C1 N2 C3' 135.0(11) . .
N3 N2 C3' 110.3(11) . .
C1 N2 C3 125.8(8) . .
N3 N2 C3 121.5(8) . .
N6 N5 C17 115.9(4) . .
N5 N6 C19 115.2(4) . .
N4 N4 C9 116.6(5) 2_645 .
C11 O1 Co2 90.1(3) . .
C11 O2 Co2 93.3(2) . .
C12 O3 H3 109.5 . .
C25 O5 Co2 89.2(3) . .
C25 O6 Co2 92.5(2) . .
C26 O7 H7 109.5 . .
C28 O10 Co1 120.8(3) . 1_454
C27 O11 H11 109.5 . .
Co1 O14 Co2 133.23(14) . .
Co1 O14 H14B 117(3) . .
H15B O15 H15A 112(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O15 2.026(3) .
Co1 O15 2.026(3) 2_755
Co1 O14 2.158(3) .
Co1 O14 2.158(3) 2_755
Co1 O10 2.184(3) 2_654
Co1 O10 2.184(3) 1_656
Co2 N1 2.093(3) .
Co2 O13 2.130(4) .
Co2 O14 2.172(3) .
Co2 O6 2.176(3) .
Co2 O2 2.204(3) .
Co2 O5 2.262(3) .
Co2 O1 2.282(3) .
C1 N1 1.313(7) .
C1 N2 1.324(8) .
C1 H1 0.9300 .
N3 C2 1.304(7) .
N3 N2 1.334(7) .
C2 N1 1.339(6) .
C2 H2 0.9300 .
C3 C3' 0.88(2) .
C3 C4' 1.32(2) .
C3 C4 1.51(3) .
C3 N2 1.518(15) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C3' 0.96(2) .
C4 C4' 1.24(2) .
C4 C4' 1.552(16) 2_666
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C4 H3'1 0.9839 .
C3' N2 1.49(2) .
C3' C4' 1.50(4) .
C3' H3'1 0.9700 .
C3' H3'2 0.9700 .
C4' C4 1.552(16) 2_666
C4' H4'1 0.9700 .
C4' H4'2 0.9700 .
C5 C10 1.382(6) .
C5 C6 1.395(6) .
C5 C11 1.494(6) .
C6 C7 1.399(6) .
C6 H6 0.9300 .
C7 C8 1.373(6) .
C7 C12 1.481(6) .
C8 C9 1.385(6) .
C8 H8 0.9300 .
C9 C10 1.396(6) .
C9 N4 1.413(6) .
C10 H10 0.9300 .
C11 O1 1.252(5) .
C11 O2 1.265(5) .
C12 O4 1.197(5) .
C12 O3 1.311(6) .
C13 C18 1.386(6) .
C13 C14 1.386(6) .
C13 C25 1.509(6) .
C14 C15 1.387(6) .
C14 H14 0.9300 .
C15 C16 1.388(6) .
C15 C26 1.482(6) .
C16 C17 1.386(6) .
C16 H16 0.9300 .
C17 C18 1.395(6) .
C17 N5 1.423(5) .
C18 H18 0.9300 .
C19 C20 1.388(6) .
C19 C24 1.391(6) .
C19 N6 1.432(5) .
C20 C21 1.389(6) .
C20 H20 0.9300 .
C21 C22 1.390(6) .
C21 C27 1.481(6) .
C22 C23 1.383(6) .
C22 H22 0.9300 .
C23 C24 1.384(6) .
C23 C28 1.517(5) .
C24 H24 0.9300 .
C25 O5 1.239(5) .
C25 O6 1.265(5) .
C26 O8 1.203(5) .
C26 O7 1.313(6) .
C27 O12 1.212(5) .
C27 O11 1.318(5) .
C28 O9 1.249(5) .
C28 O10 1.270(5) .
N5 N6 1.251(5) .
N4 N4 1.257(7) 2_645
O3 H3 0.8200 .
O7 H7 0.8200 .
O10 Co1 2.184(3) 1_454
O11 H11 0.8200 .
O13 H13A 0.64(6) .
O13 H13B 0.68(6) .
O14 H14B 0.80(2) .
O14 H14A 0.82(2) .
O15 H15B 0.82(2) .
O15 H15A 0.81(2) .
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 N3 C2 N1 -3.5(7) . .
C4' C3 C4 C3' 147(4) . .
N2 C3 C4 C3' 32(3) . .
C3' C3 C4 C4' -147(4) . .
N2 C3 C4 C4' -115.2(15) . .
C3' C3 C4 C4' 132(4) . 2_666
C4' C3 C4 C4' -81.4(17) . 2_666
N2 C3 C4 C4' 163.4(13) . 2_666
C3' C3 C4 C4 164(4) . 2_666
C4' C3 C4 C4 -49.0(11) . 2_666
N2 C3 C4 C4 -164.2(11) . 2_666
C4' C3 C3' C4 -25(3) . .
N2 C3 C3' C4 -147(3) . .
C4' C3 C3' N2 121.7(10) . .
C4 C3 C3' N2 147(3) . .
C4 C3 C3' C4' 25(3) . .
N2 C3 C3' C4' -121.7(10) . .
C4' C4 C3' C3 27(3) . .
C4' C4 C3' C3 -65(5) 2_666 .
C4 C4 C3' C3 -18(4) 2_666 .
C4' C4 C3' N2 -67(6) . .
C3 C4 C3' N2 -93(7) . .
C4' C4 C3' N2 -159(4) 2_666 .
C4 C4 C3' N2 -112(5) 2_666 .
C3 C4 C3' C4' -27(3) . .
C4' C4 C3' C4' -92(3) 2_666 .
C4 C4 C3' C4' -45.0(17) 2_666 .
C3' C4 C4' C3 -17(2) . .
C4' C4 C4' C3 112.1(13) 2_666 .
C4 C4 C4' C3 112.1(14) 2_666 .
C3 C4 C4' C3' 17(2) . .
C4' C4 C4' C3' 129(2) 2_666 .
C4 C4 C4' C3' 129(2) 2_666 .
C3' C4 C4' C4 -129(2) . 2_666
C3 C4 C4' C4 -112.1(13) . 2_666
C4' C4 C4' C4 -0.002(2) 2_666 2_666
C3' C3 C4' C4 19(2) . .
N2 C3 C4' C4 84.4(18) . .
C4 C3 C4' C3' -19(2) . .
N2 C3 C4' C3' 65(2) . .
C3' C3 C4' C4 97(3) . 2_666
C4 C3 C4' C4 78.2(19) . 2_666
N2 C3 C4' C4 162.5(12) . 2_666
C3 C3' C4' C4 -151(3) . .
N2 C3' C4' C4 150(3) . .
C4 C3' C4' C3 151(3) . .
N2 C3' C4' C3 -60(2) . .
C3 C3' C4' C4 -96(2) . 2_666
C4 C3' C4' C4 55(2) . 2_666
N2 C3' C4' C4 -155.5(14) . 2_666
C10 C5 C6 C7 0.5(6) . .
C11 C5 C6 C7 180.0(4) . .
C5 C6 C7 C8 -0.7(6) . .
C5 C6 C7 C12 178.7(4) . .
C6 C7 C8 C9 0.5(7) . .
C12 C7 C8 C9 -178.9(4) . .
C7 C8 C9 C10 -0.1(7) . .
C7 C8 C9 N4 -179.0(4) . .
C6 C5 C10 C9 -0.1(6) . .
C11 C5 C10 C9 -179.6(4) . .
C8 C9 C10 C5 -0.1(6) . .
N4 C9 C10 C5 178.7(4) . .
C10 C5 C11 O1 0.3(6) . .
C6 C5 C11 O1 -179.2(4) . .
C10 C5 C11 O2 -179.3(4) . .
C6 C5 C11 O2 1.2(6) . .
C8 C7 C12 O4 -0.5(7) . .
C6 C7 C12 O4 -179.9(5) . .
C8 C7 C12 O3 177.1(4) . .
C6 C7 C12 O3 -2.3(6) . .
C18 C13 C14 C15 0.0(7) . .
C25 C13 C14 C15 -179.8(4) . .
C13 C14 C15 C16 -0.2(7) . .
C13 C14 C15 C26 -178.6(4) . .
C14 C15 C16 C17 1.3(6) . .
C26 C15 C16 C17 179.7(4) . .
C15 C16 C17 C18 -2.1(6) . .
C15 C16 C17 N5 177.7(4) . .
C14 C13 C18 C17 -0.8(6) . .
C25 C13 C18 C17 179.0(4) . .
C16 C17 C18 C13 1.9(6) . .
N5 C17 C18 C13 -177.9(4) . .
C24 C19 C20 C21 1.2(6) . .
N6 C19 C20 C21 179.2(4) . .
C19 C20 C21 C22 -0.5(6) . .
C19 C20 C21 C27 -180.0(4) . .
C20 C21 C22 C23 -0.3(6) . .
C27 C21 C22 C23 179.2(4) . .
C21 C22 C23 C24 0.3(6) . .
C21 C22 C23 C28 -176.5(4) . .
C22 C23 C24 C19 0.4(6) . .
C28 C23 C24 C19 177.4(4) . .
C20 C19 C24 C23 -1.2(6) . .
N6 C19 C24 C23 -178.9(4) . .
C18 C13 C25 O5 0.4(6) . .
C14 C13 C25 O5 -179.8(4) . .
C18 C13 C25 O6 179.9(4) . .
C14 C13 C25 O6 -0.3(6) . .
C14 C15 C26 O8 163.2(5) . .
C16 C15 C26 O8 -15.1(7) . .
C14 C15 C26 O7 -15.3(6) . .
C16 C15 C26 O7 166.4(4) . .
C20 C21 C27 O12 -5.7(7) . .
C22 C21 C27 O12 174.8(4) . .
C20 C21 C27 O11 175.2(4) . .
C22 C21 C27 O11 -4.2(6) . .
C22 C23 C28 O9 161.7(4) . .
C24 C23 C28 O9 -15.2(6) . .
C22 C23 C28 O10 -17.1(6) . .
C24 C23 C28 O10 166.0(4) . .
N2 C1 N1 C2 -0.1(7) . .
N2 C1 N1 Co2 178.8(4) . .
N3 C2 N1 C1 2.3(7) . .
N3 C2 N1 Co2 -176.6(4) . .
O13 Co2 N1 C1 3.0(5) . .
O6 Co2 N1 C1 -79.7(5) . .
O2 Co2 N1 C1 85.4(5) . .
O5 Co2 N1 C1 -138.1(5) . .
O1 Co2 N1 C1 143.1(5) . .
O13 Co2 N1 C2 -178.3(4) . .
O6 Co2 N1 C2 98.9(4) . .
O2 Co2 N1 C2 -95.9(4) . .
O5 Co2 N1 C2 40.5(4) . .
O1 Co2 N1 C2 -38.3(4) . .
N1 C1 N2 N3 -2.1(9) . .
N1 C1 N2 C3' -155.7(17) . .
N1 C1 N2 C3 160.7(11) . .
C2 N3 N2 C1 3.3(8) . .
C2 N3 N2 C3' 163.7(13) . .
C2 N3 N2 C3 -160.3(10) . .
C3 C3' N2 C1 -90(3) . .
C4 C3' N2 C1 14(7) . .
C4' C3' N2 C1 -39(3) . .
C3 C3' N2 N3 117(2) . .
C4 C3' N2 N3 -139(6) . .
C4' C3' N2 N3 167.8(15) . .
C4 C3' N2 C3 104(7) . .
C4' C3' N2 C3 51(2) . .
C3' C3 N2 C1 119(2) . .
C4' C3 N2 C1 47(3) . .
C4 C3 N2 C1 100.1(14) . .
C3' C3 N2 N3 -80(3) . .
C4' C3 N2 N3 -151.9(17) . .
C4 C3 N2 N3 -98.9(12) . .
C4' C3 N2 C3' -72(3) . .
C4 C3 N2 C3' -19(2) . .
C16 C17 N5 N6 179.6(4) . .
C18 C17 N5 N6 -0.7(6) . .
C17 N5 N6 C19 178.3(3) . .
C20 C19 N6 N5 176.7(4) . .
C24 C19 N6 N5 -5.4(6) . .
C8 C9 N4 N4 -174.8(5) . 2_645
C10 C9 N4 N4 6.4(8) . 2_645
O2 C11 O1 Co2 2.4(4) . .
C5 C11 O1 Co2 -177.2(3) . .
N1 Co2 O1 C11 -95.6(2) . .
O13 Co2 O1 C11 -4.8(3) . .
O14 Co2 O1 C11 84.6(2) . .
O6 Co2 O1 C11 170.4(2) . .
O2 Co2 O1 C11 -1.4(2) . .
O5 Co2 O1 C11 174.3(3) . .
O1 C11 O2 Co2 -2.5(4) . .
C5 C11 O2 Co2 177.1(3) . .
N1 Co2 O2 C11 89.3(3) . .
O13 Co2 O2 C11 179.2(3) . .
O14 Co2 O2 C11 -92.2(2) . .
O6 Co2 O2 C11 -158.1(4) . .
O5 Co2 O2 C11 -4.7(3) . .
O1 Co2 O2 C11 1.4(2) . .
O6 C25 O5 Co2 2.1(4) . .
C13 C25 O5 Co2 -178.4(4) . .
N1 Co2 O5 C25 91.7(3) . .
O13 Co2 O5 C25 0.9(4) . .
O14 Co2 O5 C25 -86.4(3) . .
O6 Co2 O5 C25 -1.2(2) . .
O2 Co2 O5 C25 -172.9(2) . .
O1 Co2 O5 C25 -178.1(3) . .
O5 C25 O6 Co2 -2.2(4) . .
C13 C25 O6 Co2 178.3(3) . .
N1 Co2 O6 C25 -87.3(3) . .
O13 Co2 O6 C25 -177.4(3) . .
O14 Co2 O6 C25 93.8(3) . .
O2 Co2 O6 C25 159.9(4) . .
O5 Co2 O6 C25 1.2(2) . .
O1 Co2 O6 C25 5.7(3) . .
O9 C28 O10 Co1 12.0(6) . 1_454
C23 C28 O10 Co1 -169.3(3) . 1_454
O15 Co1 O14 Co2 174.7(2) . .
O15 Co1 O14 Co2 -5.3(2) 2_755 .
O10 Co1 O14 Co2 88.03(19) 2_654 .
O10 Co1 O14 Co2 -91.97(19) 1_656 .
O13 Co2 O14 Co1 167.71(19) . .
O6 Co2 O14 Co1 -109.43(19) . .
O2 Co2 O14 Co1 85.26(19) . .
O5 Co2 O14 Co1 -51.11(19) . .
O1 Co2 O14 Co1 27.67(19) . .
