#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:26:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180262 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/48/7114887.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_7114887
loop_
_publ_author_name
'Lai, Szu-Fan'
'Cheng, Ching-Yuan'
'Lin, Kuan-Jiuh'
_publ_contact_author
;
Kuan-Jiuh Lin
Department of Chemistry
National Chung-Hsing University,
Institute of Chemistry, Academia Sinica
Taipei
TAIWAN
;
_publ_section_title
;
 Hydrothermal synthesis of a thermally stable porous supramolecular π--π
 framework: [{Co2(C12H8N2)4(μ-C4O4)(OH2)2}C4O4]·8H2O
;
_journal_issue                   12
_journal_name_full               'Chemical Communications'
_journal_page_first              1082
_journal_paper_doi               10.1039/b100921o
_journal_year                    2001
_chemical_formula_sum            'C28 H26 Co N4 O9'
_chemical_formula_weight         621.46
_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
_cell_angle_alpha                93.33(2)
_cell_angle_beta                 101.21(3)
_cell_angle_gamma                110.44(2)
_cell_formula_units_Z            2
_cell_length_a                   9.918(3)
_cell_length_b                   11.292(2)
_cell_length_c                   13.276(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1353.7(7)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_av_sigmaI/netI    0.0964
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4757
_diffrn_reflns_theta_max         24.92
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.697
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.925
_refine_ls_goodness_of_fit_obs   1.070
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         4757
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.925
_refine_ls_restrained_S_obs      1.070
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_obs          0.0405
_refine_ls_shift/esd_max         -5.486
_refine_ls_shift/esd_mean        0.022
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0572P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1207
_refine_ls_wR_factor_obs         0.1034
_reflns_number_observed          2804
_reflns_number_total             4757
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b100921o.txt
_cod_data_source_block           1508
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Tricliniuc' was replaced with
'triclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0572P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0572P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1353.8(7)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7114887
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
Co1 Co 0.52919(6) 0.75833(4) 0.27693(4) 0.0291(2) Uani 1 d
O1 O 0.5880(3) 0.8616(2) 0.4273(2) 0.0354(6) Uani 1 d
O2 O 0.3618(3) 1.0039(3) 0.3420(2) 0.0526(8) Uani 1 d
O3 O 0.1165(3) 0.7040(2) 0.0838(2) 0.0505(7) Uani 1 d
O4 O 0.0383(3) 0.4231(3) 0.1544(2) 0.0518(7) Uani 1 d
O9 O 0.1075(5) 0.0515(4) 0.2534(4) 0.0684(12) Uani 1 d
N1 N 0.4689(3) 0.6821(3) 0.1153(2) 0.0340(7) Uani 1 d
N2 N 0.6355(3) 0.9214(3) 0.2095(2) 0.0352(7) Uani 1 d
N3 N 0.7256(3) 0.7128(3) 0.3111(2) 0.0335(7) Uani 1 d
N4 N 0.4516(3) 0.5775(3) 0.3300(2) 0.0316(7) Uani 1 d
C1 C 0.5383(4) 0.9373(3) 0.4660(3) 0.0299(8) Uani 1 d
C2 C 0.4373(4) 1.0020(3) 0.4288(3) 0.0328(8) Uani 1 d
C3 C 0.0515(4) 0.5913(3) 0.0380(3) 0.0364(9) Uani 1 d
C4 C 0.0167(4) 0.4645(3) 0.0692(3) 0.0368(9) Uani 1 d
C5 C 0.3815(4) 0.5664(4) 0.0690(3) 0.0403(9) Uani 1 d
C6 C 0.3437(5) 0.5336(5) -0.0383(4) 0.0532(12) Uani 1 d
C7 C 0.4005(5) 0.6224(5) -0.0984(4) 0.0551(12) Uani 1 d
C8 C 0.4957(5) 0.7472(4) -0.0534(3) 0.0446(10) Uani 1 d
C9 C 0.5613(6) 0.8463(6) -0.1113(4) 0.0554(13) Uani 1 d
C10 C 0.6488(6) 0.9623(6) -0.0646(4) 0.0566(13) Uani 1 d
C11 C 0.6804(4) 0.9947(4) 0.0465(3) 0.0433(10) Uani 1 d
C12 C 0.7702(5) 1.1148(4) 0.0991(4) 0.0543(12) Uani 1 d
C13 C 0.7898(5) 1.1365(4) 0.2027(4) 0.0558(12) Uani 1 d
C14 C 0.7197(5) 1.0385(4) 0.2560(4) 0.0458(10) Uani 1 d
C15 C 0.6147(4) 0.8981(3) 0.1044(3) 0.0350(8) Uani 1 d
C16 C 0.5252(4) 0.7722(4) 0.0545(3) 0.0353(8) Uani 1 d
C17 C 0.8606(5) 0.7790(4) 0.2995(4) 0.0490(11) Uani 1 d
C18 C 0.9764(5) 0.7344(6) 0.3198(5) 0.0697(15) Uani 1 d
C19 C 0.9526(6) 0.6188(6) 0.3497(4) 0.0688(15) Uani 1 d
C20 C 0.8119(5) 0.5444(4) 0.3641(3) 0.0458(10) Uani 1 d
C21 C 0.7745(6) 0.4202(5) 0.3972(4) 0.0597(13) Uani 1 d
C22 C 0.6392(6) 0.3552(4) 0.4096(4) 0.0559(12) Uani 1 d
C23 C 0.5225(5) 0.4040(4) 0.3876(3) 0.0417(10) Uani 1 d
C24 C 0.3791(5) 0.3400(4) 0.3990(3) 0.0507(11) Uani 1 d
C25 C 0.2754(5) 0.3927(4) 0.3747(3) 0.0488(11) Uani 1 d
C26 C 0.3156(4) 0.5135(4) 0.3391(3) 0.0389(9) Uani 1 d
C27 C 0.5545(4) 0.5238(3) 0.3538(3) 0.0318(8) Uani 1 d
C28 C 0.7008(4) 0.5959(3) 0.3431(3) 0.0345(8) Uani 1 d
O5 O 0.3229(3) 0.7729(3) 0.2571(2) 0.0410(7) Uani 1 d
O6 O 0.9354(7) 0.8467(7) 0.0753(4) 0.099(2) Uani 1 d
O7 O 0.0562(14) 0.1080(12) 0.4456(8) 0.282(9) Uani 1 d
O8 O 0.1758(5) 0.2501(4) 0.1374(3) 0.0758(12) Uani 1 d
H3B H 0.0999(44) 0.0786(38) 0.4699(33) 0.000(7) Uiso 1 d
H5 H 0.3460(40) 0.5087(35) 0.1141(30) 0.036(10) Uiso 1 d
H1A H 0.3346(43) 0.8516(41) 0.2787(32) 0.045(12) Uiso 1 d
H3A H 0.0040(41) 0.1541(36) 0.4254(32) 0.000(7) Uiso 1 d
H26 H 0.2462(45) 0.5509(37) 0.3128(32) 0.048(12) Uiso 1 d
H5A H 0.1221(47) 0.0986(37) 0.2345(32) 0.017(13) Uiso 1 d
H22 H 0.6039(47) 0.2659(42) 0.4239(34) 0.061(13) Uiso 1 d
H12 H 0.8121(44) 1.1731(39) 0.0628(33) 0.047(12) Uiso 1 d
H21 H 0.8437(56) 0.3879(47) 0.4123(40) 0.077(16) Uiso 1 d
H17 H 0.8803(44) 0.8655(39) 0.2734(32) 0.052(12) Uiso 1 d
H14 H 0.7371(51) 1.0511(43) 0.3318(38) 0.069(15) Uiso 1 d
H7 H 0.3728(50) 0.6005(44) -0.1673(40) 0.068(15) Uiso 1 d
H6 H 0.2866(54) 0.4604(46) -0.0654(40) 0.070(17) Uiso 1 d
H13 H 0.8441(52) 1.2137(47) 0.2415(38) 0.069(15) Uiso 1 d
H25 H 0.1663(58) 0.3531(48) 0.3869(42) 0.090(17) Uiso 1 d
H4A H 0.1260(47) 0.2827(42) 0.1454(35) 0.040(14) Uiso 1 d
H24 H 0.3521(49) 0.2585(44) 0.4202(36) 0.065(14) Uiso 1 d
H18 H 1.0744(65) 0.7984(55) 0.3069(47) 0.113(21) Uiso 1 d
H1B H 0.2536(59) 0.7449(49) 0.1980(45) 0.089(19) Uiso 1 d
H2A H 0.9811(104) 0.9081(79) 0.0571(78) 0.149(49) Uiso 1 d
H2B H 1.0269(90) 0.8061(71) 0.0826(61) 0.165(31) Uiso 1 d
H4B H 0.1289(88) 0.1959(76) 0.0634(72) 0.171(34) Uiso 1 d
H9 H 0.5508(55) 0.8223(48) -0.1784(43) 0.084(18) Uiso 1 d
H19 H 1.0181(73) 0.5633(63) 0.3564(54) 0.134(24) Uiso 1 d
H10 H 0.6950(67) 1.0221(59) -0.1027(51) 0.116(23) Uiso 1 d
H5B H 0.1939(69) 0.0435(57) 0.2694(50) 0.104(23) Uiso 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'
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
O5 Co1 O1 88.76(11) . .
O5 Co1 N2 98.21(12) . .
O1 Co1 N2 93.69(11) . .
O5 Co1 N4 92.05(12) . .
O1 Co1 N4 93.64(10) . .
N2 Co1 N4 167.50(11) . .
O5 Co1 N1 87.56(12) . .
O1 Co1 N1 170.61(11) . .
N2 Co1 N1 78.29(12) . .
N4 Co1 N1 95.13(11) . .
O5 Co1 N3 169.40(11) . .
O1 Co1 N3 90.30(11) . .
N2 Co1 N3 92.39(12) . .
N4 Co1 N3 77.47(11) . .
N1 Co1 N3 94.88(12) . .
C1 O1 Co1 131.4(2) . .
H5A O9 H5B 101.6(62) . .
C5 N1 C16 118.0(3) . .
C5 N1 Co1 129.3(3) . .
C16 N1 Co1 112.5(2) . .
C14 N2 C15 117.6(3) . .
C14 N2 Co1 128.7(3) . .
C15 N2 Co1 113.6(2) . .
C17 N3 C28 117.9(3) . .
C17 N3 Co1 128.9(3) . .
C28 N3 Co1 113.1(2) . .
C26 N4 C27 118.4(3) . .
C26 N4 Co1 126.8(3) . .
C27 N4 Co1 114.7(2) . .
O1 C1 C2 133.1(3) . 2_676
O1 C1 C2 136.9(3) . .
C2 C1 C2 90.0(3) 2_676 .
O2 C2 C1 135.3(3) . 2_676
O2 C2 C1 134.6(3) . .
C1 C2 C1 90.0(3) 2_676 .
O3 C3 C4 134.2(3) . 2_565
O3 C3 C4 135.5(4) . .
C4 C3 C4 90.3(3) 2_565 .
O4 C4 C3 136.0(3) . 2_565
O4 C4 C3 134.3(4) . .
C3 C4 C3 89.7(3) 2_565 .
N1 C5 C6 122.7(4) . .
N1 C5 H5 114.5(23) . .
C6 C5 H5 122.8(23) . .
C7 C6 C5 119.2(4) . .
C7 C6 H6 120.2(36) . .
C5 C6 H6 120.6(37) . .
C6 C7 C8 120.6(4) . .
C6 C7 H7 118.1(31) . .
C8 C7 H7 121.2(31) . .
C16 C8 C7 116.2(4) . .
C16 C8 C9 119.7(4) . .
C7 C8 C9 124.1(4) . .
C10 C9 C8 121.3(4) . .
C10 C9 H9 122.1(34) . .
C8 C9 H9 116.0(34) . .
C9 C10 C11 121.5(5) . .
C9 C10 H10 119.7(40) . .
C11 C10 H10 118.8(41) . .
C12 C11 C15 118.4(4) . .
C12 C11 C10 123.8(4) . .
C15 C11 C10 117.8(4) . .
C13 C12 C11 119.4(4) . .
C13 C12 H12 122.9(28) . .
C11 C12 H12 117.7(27) . .
C12 C13 C14 119.9(4) . .
C12 C13 H13 123.8(32) . .
C14 C13 H13 116.3(32) . .
N2 C14 C13 123.0(4) . .
N2 C14 H14 115.7(27) . .
C13 C14 H14 121.1(28) . .
N2 C15 C11 121.6(4) . .
N2 C15 C16 117.7(3) . .
C11 C15 C16 120.7(4) . .
N1 C16 C8 123.2(4) . .
N1 C16 C15 117.8(3) . .
C8 C16 C15 119.0(4) . .
N3 C17 C18 122.7(4) . .
N3 C17 H17 118.9(23) . .
C18 C17 H17 118.4(23) . .
C19 C18 C17 119.9(5) . .
C19 C18 H18 127.5(33) . .
C17 C18 H18 112.5(33) . .
C18 C19 C20 120.0(5) . .
C18 C19 H19 131.1(38) . .
C20 C19 H19 108.4(37) . .
C28 C20 C19 117.0(4) . .
C28 C20 C21 118.2(4) . .
C19 C20 C21 124.7(4) . .
C22 C21 C20 121.6(4) . .
C22 C21 H21 119.2(34) . .
C20 C21 H21 119.1(34) . .
C21 C22 C23 121.7(4) . .
C21 C22 H22 125.0(26) . .
C23 C22 H22 112.7(26) . .
C24 C23 C27 117.8(4) . .
C24 C23 C22 124.0(4) . .
C27 C23 C22 118.2(4) . .
C25 C24 C23 119.9(4) . .
C25 C24 H24 119.3(28) . .
C23 C24 H24 120.7(28) . .
C24 C25 C26 119.1(4) . .
C24 C25 H25 124.1(29) . .
C26 C25 H25 116.6(29) . .
N4 C26 C25 122.2(4) . .
N4 C26 H26 114.1(25) . .
C25 C26 H26 123.3(25) . .
N4 C27 C23 122.6(3) . .
N4 C27 C28 116.9(3) . .
C23 C27 C28 120.5(3) . .
N3 C28 C20 122.4(4) . .
N3 C28 C27 117.7(3) . .
C20 C28 C27 119.8(4) . .
Co1 O5 H1A 109.0(26) . .
Co1 O5 H1B 123.7(34) . .
H1A O5 H1B 109.2(42) . .
H2A O6 H2B 93.5(76) . .
H3B O7 H3A 169.4(52) . .
H4A O8 H4B 105.5(56) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O5 2.076(3) .
Co1 O1 2.118(2) .
Co1 N2 2.123(3) .
Co1 N4 2.131(3) .
Co1 N1 2.152(3) .
Co1 N3 2.156(3) .
O1 C1 1.256(4) .
O2 C2 1.252(4) .
O3 C3 1.261(4) .
O4 C4 1.257(4) .
O9 H5A 0.58(4) .
O9 H5B 0.88(6) .
N1 C5 1.320(5) .
N1 C16 1.369(5) .
N2 C14 1.327(5) .
N2 C15 1.366(5) .
N3 C17 1.330(5) .
N3 C28 1.366(5) .
N4 C26 1.322(5) .
N4 C27 1.356(4) .
C1 C2 1.456(5) 2_676
C1 C2 1.465(5) .
C2 C1 1.456(5) 2_676
C3 C4 1.451(5) 2_565
C3 C4 1.456(5) .
C4 C3 1.451(5) 2_565
C5 C6 1.394(6) .
C5 H5 0.93(4) .
C6 C7 1.354(7) .
C6 H6 0.83(5) .
C7 C8 1.410(6) .
C7 H7 0.90(5) .
C8 C16 1.395(5) .
C8 C9 1.433(6) .
C9 C10 1.325(7) .
C9 H9 0.89(5) .
C10 C11 1.444(6) .
C10 H10 0.91(6) .
C11 C12 1.387(6) .
C11 C15 1.415(5) .
C12 C13 1.347(7) .
C12 H12 0.87(4) .
C13 C14 1.397(6) .
C13 H13 0.91(5) .
C14 H14 0.98(5) .
C15 C16 1.424(5) .
C17 C18 1.394(6) .
C17 H17 1.02(4) .
C18 C19 1.341(7) .
C18 H18 1.04(6) .
C19 C20 1.412(7) .
C19 H19 1.04(7) .
C20 C28 1.406(5) .
C20 C21 1.439(6) .
C21 C22 1.334(7) .
C21 H21 0.88(5) .
C22 C23 1.436(6) .
C22 H22 0.99(4) .
C23 C24 1.395(6) .
C23 C27 1.399(5) .
C24 C25 1.356(6) .
C24 H24 0.94(5) .
C25 C26 1.418(6) .
C25 H25 1.07(5) .
C26 H26 0.95(4) .
C27 C28 1.434(5) .
O5 H1A 0.88(4) .
O5 H1B 0.89(6) .
O6 H2A 0.77(8) .
O6 H2B 1.14(8) .
O7 H3B 0.68(4) .
O7 H3A 0.87(3) .
O8 H4A 0.73(4) .
O8 H4B 1.05(9) .
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
O5 Co1 O1 C1 -22.9(3) . .
N2 Co1 O1 C1 75.3(3) . .
N4 Co1 O1 C1 -114.9(3) . .
N1 Co1 O1 C1 44.1(8) . .
N3 Co1 O1 C1 167.7(3) . .
O5 Co1 N1 C5 -77.5(3) . .
O1 Co1 N1 C5 -144.6(6) . .
N2 Co1 N1 C5 -176.4(4) . .
N4 Co1 N1 C5 14.4(3) . .
N3 Co1 N1 C5 92.2(3) . .
O5 Co1 N1 C16 98.4(2) . .
O1 Co1 N1 C16 31.3(8) . .
N2 Co1 N1 C16 -0.5(2) . .
N4 Co1 N1 C16 -169.8(2) . .
N3 Co1 N1 C16 -91.9(2) . .
O5 Co1 N2 C14 95.6(3) . .
O1 Co1 N2 C14 6.3(3) . .
N4 Co1 N2 C14 -119.5(6) . .
N1 Co1 N2 C14 -178.6(4) . .
N3 Co1 N2 C14 -84.1(3) . .
O5 Co1 N2 C15 -86.0(3) . .
O1 Co1 N2 C15 -175.3(2) . .
N4 Co1 N2 C15 58.9(7) . .
N1 Co1 N2 C15 -0.3(2) . .
N3 Co1 N2 C15 94.2(3) . .
O5 Co1 N3 C17 -172.9(6) . .
O1 Co1 N3 C17 -88.0(4) . .
N2 Co1 N3 C17 5.7(4) . .
N4 Co1 N3 C17 178.3(4) . .
N1 Co1 N3 C17 84.2(4) . .
O5 Co1 N3 C28 11.3(8) . .
O1 Co1 N3 C28 96.2(2) . .
N2 Co1 N3 C28 -170.1(2) . .
N4 Co1 N3 C28 2.6(2) . .
N1 Co1 N3 C28 -91.6(2) . .
O5 Co1 N4 C26 1.1(3) . .
O1 Co1 N4 C26 90.0(3) . .
N2 Co1 N4 C26 -144.2(5) . .
N1 Co1 N4 C26 -86.6(3) . .
N3 Co1 N4 C26 179.5(3) . .
O5 Co1 N4 C27 179.3(2) . .
O1 Co1 N4 C27 -91.8(2) . .
N2 Co1 N4 C27 34.0(7) . .
N1 Co1 N4 C27 91.6(2) . .
N3 Co1 N4 C27 -2.3(2) . .
Co1 O1 C1 C2 171.3(3) . 2_676
Co1 O1 C1 C2 -9.4(6) . .
O1 C1 C2 O2 0.4(8) . .
C2 C1 C2 O2 179.8(6) 2_676 .
O1 C1 C2 C1 -179.4(5) . 2_676
C2 C1 C2 C1 0.0 2_676 2_676
O3 C3 C4 O4 1.1(8) . .
C4 C3 C4 O4 179.8(6) 2_565 .
O3 C3 C4 C3 -178.7(6) . 2_565
C4 C3 C4 C3 0.0 2_565 2_565
C16 N1 C5 C6 -0.8(6) . .
Co1 N1 C5 C6 174.9(3) . .
N1 C5 C6 C7 1.4(7) . .
C5 C6 C7 C8 -0.7(7) . .
C6 C7 C8 C16 -0.5(6) . .
C6 C7 C8 C9 179.5(4) . .
C16 C8 C9 C10 -0.7(7) . .
C7 C8 C9 C10 179.3(4) . .
C8 C9 C10 C11 -0.9(7) . .
C9 C10 C11 C12 -179.5(4) . .
C9 C10 C11 C15 0.1(6) . .
C15 C11 C12 C13 -1.3(6) . .
C10 C11 C12 C13 178.2(4) . .
C11 C12 C13 C14 0.0(7) . .
C15 N2 C14 C13 -1.7(6) . .
Co1 N2 C14 C13 176.6(3) . .
C12 C13 C14 N2 1.6(7) . .
C14 N2 C15 C11 0.2(5) . .
Co1 N2 C15 C11 -178.4(3) . .
C14 N2 C15 C16 179.6(3) . .
Co1 N2 C15 C16 1.0(4) . .
C12 C11 C15 N2 1.3(6) . .
C10 C11 C15 N2 -178.3(4) . .
C12 C11 C15 C16 -178.1(4) . .
C10 C11 C15 C16 2.3(5) . .
C5 N1 C16 C8 -0.6(5) . .
Co1 N1 C16 C8 -177.0(3) . .
C5 N1 C16 C15 177.6(3) . .
Co1 N1 C16 C15 1.2(4) . .
C7 C8 C16 N1 1.2(6) . .
C9 C8 C16 N1 -178.8(3) . .
C7 C8 C16 C15 -177.0(3) . .
C9 C8 C16 C15 3.0(6) . .
N2 C15 C16 N1 -1.6(5) . .
C11 C15 C16 N1 177.8(3) . .
N2 C15 C16 C8 176.7(3) . .
C11 C15 C16 C8 -3.9(5) . .
C28 N3 C17 C18 -0.9(6) . .
Co1 N3 C17 C18 -176.5(4) . .
N3 C17 C18 C19 2.0(8) . .
C17 C18 C19 C20 -2.3(9) . .
C18 C19 C20 C28 1.7(8) . .
C18 C19 C20 C21 -179.2(5) . .
C28 C20 C21 C22 -1.1(7) . .
C19 C20 C21 C22 179.8(5) . .
C20 C21 C22 C23 2.0(7) . .
C21 C22 C23 C24 179.8(4) . .
C21 C22 C23 C27 -1.0(6) . .
C27 C23 C24 C25 1.9(6) . .
C22 C23 C24 C25 -178.9(4) . .
C23 C24 C25 C26 -0.8(6) . .
C27 N4 C26 C25 1.3(5) . .
Co1 N4 C26 C25 179.5(3) . .
C24 C25 C26 N4 -0.8(6) . .
C26 N4 C27 C23 -0.1(5) . .
Co1 N4 C27 C23 -178.5(3) . .
C26 N4 C27 C28 -179.9(3) . .
Co1 N4 C27 C28 1.7(4) . .
C24 C23 C27 N4 -1.4(5) . .
C22 C23 C27 N4 179.3(3) . .
C24 C23 C27 C28 178.4(3) . .
C22 C23 C27 C28 -0.9(5) . .
C17 N3 C28 C20 0.2(5) . .
Co1 N3 C28 C20 176.5(3) . .
C17 N3 C28 C27 -178.9(3) . .
Co1 N3 C28 C27 -2.6(4) . .
C19 C20 C28 N3 -0.6(6) . .
C21 C20 C28 N3 -179.8(4) . .
C19 C20 C28 C27 178.5(4) . .
C21 C20 C28 C27 -0.8(6) . .
N4 C27 C28 N3 0.7(5) . .
C23 C27 C28 N3 -179.2(3) . .
N4 C27 C28 C20 -178.5(3) . .
C23 C27 C28 C20 1.7(5) . .
