#------------------------------------------------------------------------------
#$Date: 2016-03-25 17:01:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180000 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/94/7029413.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_7029413
loop_
_publ_author_name
'Kim, Hyun-Chul'
'Lee, Young Sun'
'Huh, Seong'
'Lee, Suk Joong'
'Kim, Youngmee'
_publ_section_title
;
 CO2 selective 1D double chain dipyridyl-porphyrin based porous
 coordination polymers.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5680
_journal_page_last               5686
_journal_paper_doi               10.1039/c3dt53287a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C132 H92 Co3 N20 O2'
_chemical_formula_weight         2167.05
_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                90.03(3)
_cell_angle_beta                 104.37(3)
_cell_angle_gamma                98.74(3)
_cell_formula_units_Z            1
_cell_length_a                   11.898(2)
_cell_length_b                   14.656(3)
_cell_length_c                   16.595(3)
_cell_measurement_reflns_used    11909
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      2.7
_cell_volume                     2768.5(10)
_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, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω 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  0.0418
_diffrn_reflns_av_unetI/netI     0.1104
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14201
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.508
_exptl_absorpt_correction_T_max  0.9800
_exptl_absorpt_correction_T_min  0.8383
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1121
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.427
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     734
_refine_ls_number_reflns         9458
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1117
_refine_ls_R_factor_gt           0.0704
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1224P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1826
_refine_ls_wR_factor_ref         0.2061
_reflns_number_gt                6029
_reflns_number_total             9458
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53287a.txt
_cod_data_source_block           ye128sadp-1
_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/current/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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7029413
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 0.89262(5) 0.56473(4) 0.85642(4) 0.0218(2) Uani 1 1 d .
Co2 Co 0.5000 1.0000 0.5000 0.0194(2) Uani 1 2 d S
N11 N 0.9075(3) 0.6022(2) 0.9733(2) 0.0234(9) Uani 1 1 d .
N12 N 1.0019(3) 0.6764(3) 0.8449(2) 0.0256(9) Uani 1 1 d .
N13 N 0.9010(3) 0.5176(2) 0.7472(2) 0.0224(8) Uani 1 1 d .
N14 N 0.7874(3) 0.4512(3) 0.8682(2) 0.0268(9) Uani 1 1 d .
N15 N 1.2288(6) 0.9910(3) 1.1354(3) 0.0589(15) Uani 1 1 d .
N16 N 0.3888(4) 0.8747(3) 0.4211(2) 0.0281(9) Uani 1 1 d .
N21 N 0.4607(3) 0.9542(2) 0.6052(2) 0.0237(9) Uani 1 1 d .
N22 N 0.3683(3) 1.0700(2) 0.4786(2) 0.0231(9) Uani 1 1 d .
N23 N 0.7498(3) 0.6405(3) 0.8024(2) 0.0247(9) Uani 1 1 d .
C11 C 0.8508(4) 0.5575(3) 1.0283(3) 0.0264(11) Uani 1 1 d .
C12 C 0.8945(4) 0.6024(3) 1.1101(3) 0.0303(11) Uani 1 1 d .
H12 H 0.8713 0.5840 1.1579 0.036 Uiso 1 1 calc R
C13 C 0.9741(4) 0.6749(3) 1.1043(3) 0.0272(11) Uani 1 1 d .
H13 H 1.0173 0.7165 1.1472 0.033 Uiso 1 1 calc R
C14 C 0.9802(4) 0.6765(3) 1.0190(3) 0.0259(11) Uani 1 1 d .
C15 C 1.0440(4) 0.7490(3) 0.9857(3) 0.0278(11) Uani 1 1 d .
C16 C 1.0460(4) 0.7496(3) 0.9018(3) 0.0267(11) Uani 1 1 d .
C17 C 1.0941(5) 0.8279(3) 0.8626(3) 0.0363(13) Uani 1 1 d .
H17 H 1.1278 0.8856 0.8879 0.044 Uiso 1 1 calc R
C18 C 1.0818(5) 0.8029(4) 0.7830(3) 0.0389(13) Uani 1 1 d .
H18 H 1.1048 0.8401 0.7427 0.047 Uiso 1 1 calc R
C19 C 1.0269(4) 0.7090(3) 0.7713(3) 0.0302(11) Uani 1 1 d .
C110 C 1.0104(4) 0.6534(3) 0.6985(3) 0.0292(11) Uani 1 1 d .
C111 C 0.9595(4) 0.5620(3) 0.6921(3) 0.0272(11) Uani 1 1 d .
C112 C 0.9556(5) 0.4995(4) 0.6242(3) 0.0349(12) Uani 1 1 d .
H112 H 0.9908 0.5123 0.5805 0.042 Uiso 1 1 calc R
C113 C 0.8914(5) 0.4193(4) 0.6358(3) 0.0364(13) Uani 1 1 d .
H113 H 0.8742 0.3660 0.6016 0.044 Uiso 1 1 calc R
C114 C 0.8545(4) 0.4309(3) 0.7104(3) 0.0261(11) Uani 1 1 d .
C115 C 0.7729(4) 0.3675(3) 0.7374(3) 0.0276(11) Uani 1 1 d .
C116 C 0.7387(4) 0.3812(3) 0.8105(3) 0.0249(10) Uani 1 1 d .
C117 C 0.6442(5) 0.3220(3) 0.8345(3) 0.0336(12) Uani 1 1 d .
H117 H 0.5961 0.2708 0.8044 0.040 Uiso 1 1 calc R
C118 C 0.6401(5) 0.3555(3) 0.9084(3) 0.0335(12) Uani 1 1 d .
H118 H 0.5878 0.3322 0.9395 0.040 Uiso 1 1 calc R
C119 C 0.7304(4) 0.4336(3) 0.9308(3) 0.0266(11) Uani 1 1 d .
C120 C 0.7602(4) 0.4819(3) 1.0072(3) 0.0279(11) Uani 1 1 d .
C121 C 1.1069(5) 0.8318(3) 1.0389(3) 0.0322(12) Uani 1 1 d .
C122 C 1.0501(6) 0.8906(4) 1.0732(4) 0.0474(15) Uani 1 1 d .
H122 H 0.9690 0.8778 1.0650 0.057 Uiso 1 1 calc R
C123 C 1.1119(7) 0.9673(4) 1.1190(4) 0.0602(19) Uani 1 1 d .
H123 H 1.0702 1.0058 1.1404 0.072 Uiso 1 1 calc R
C124 C 1.2841(6) 0.9341(4) 1.1037(4) 0.0540(16) Uani 1 1 d .
H124 H 1.3656 0.9478 1.1147 0.065 Uiso 1 1 calc R
C125 C 1.2291(5) 0.8557(4) 1.0553(3) 0.0396(13) Uani 1 1 d .
H125 H 1.2728 0.8189 1.0338 0.047 Uiso 1 1 calc R
C126 C 1.0495(3) 0.6958(2) 0.62534(17) 0.0338(12) Uani 1 1 d G
C127 C 1.1653(3) 0.7371(3) 0.63408(19) 0.0574(18) Uani 1 1 d G
H127 H 1.2200 0.7367 0.6849 0.069 Uiso 1 1 calc R
C128 C 1.1992(3) 0.7787(3) 0.5668(3) 0.067(2) Uani 1 1 d G
H128 H 1.2767 0.8063 0.5727 0.080 Uiso 1 1 calc R
C129 C 1.1173(4) 0.7792(3) 0.4908(2) 0.060(2) Uani 1 1 d G
H129 H 1.1401 0.8071 0.4458 0.072 Uiso 1 1 calc R
C130 C 1.0015(3) 0.7380(3) 0.48205(17) 0.0526(17) Uani 1 1 d G
H130 H 0.9468 0.7383 0.4312 0.063 Uiso 1 1 calc R
C131 C 0.9676(2) 0.6963(2) 0.5493(2) 0.0364(13) Uani 1 1 d G
H131 H 0.8901 0.6687 0.5435 0.044 Uiso 1 1 calc R
C132 C 0.7179(4) 0.2825(3) 0.6824(3) 0.0280(11) Uani 1 1 d .
C133 C 0.7303(4) 0.1942(3) 0.7086(3) 0.0290(11) Uani 1 1 d .
H133 H 0.7744 0.1858 0.7620 0.035 Uiso 1 1 calc R
C134 C 0.6778(4) 0.1189(3) 0.6561(3) 0.0272(11) Uani 1 1 d .
H134 H 0.6891 0.0605 0.6751 0.033 Uiso 1 1 calc R
C135 C 0.4023(5) 0.7897(3) 0.4457(3) 0.0326(12) Uani 1 1 d .
H135 H 0.4484 0.7832 0.4989 0.039 Uiso 1 1 calc R
C136 C 0.6484(5) 0.2893(3) 0.6032(3) 0.0325(12) Uani 1 1 d .
H136 H 0.6357 0.3470 0.5828 0.039 Uiso 1 1 calc R
C137 C 0.6956(4) 0.4479(3) 1.0710(3) 0.0266(11) Uani 1 1 d .
C138 C 0.7104(5) 0.3642(4) 1.1067(4) 0.0422(14) Uani 1 1 d .
H138 H 0.7659 0.3316 1.0946 0.051 Uiso 1 1 calc R
C139 C 0.6436(5) 0.3278(4) 1.1603(4) 0.0487(16) Uani 1 1 d .
H139 H 0.6526 0.2703 1.1825 0.058 Uiso 1 1 calc R
C140 C 0.5634(5) 0.3775(4) 1.1807(4) 0.0513(16) Uani 1 1 d .
H140 H 0.5204 0.3547 1.2182 0.062 Uiso 1 1 calc R
C141 C 0.5483(6) 0.4598(4) 1.1453(4) 0.0543(17) Uani 1 1 d .
H141 H 0.4923 0.4919 1.1572 0.065 Uiso 1 1 calc R
C142 C 0.6147(5) 0.4971(4) 1.0919(4) 0.0450(15) Uani 1 1 d .
H142 H 0.6052 0.5547 1.0700 0.054 Uiso 1 1 calc R
C21 C 0.3751(4) 0.9790(3) 0.6401(3) 0.0270(11) Uani 1 1 d .
C22 C 0.3799(4) 0.9365(3) 0.7185(3) 0.0299(11) Uani 1 1 d .
H22 H 0.3335 0.9446 0.7547 0.036 Uiso 1 1 calc R
C23 C 0.4645(4) 0.8824(3) 0.7297(3) 0.0280(11) Uani 1 1 d .
H23 H 0.4858 0.8448 0.7743 0.034 Uiso 1 1 calc R
C24 C 0.5153(4) 0.8941(3) 0.6597(3) 0.0221(10) Uani 1 1 d .
C25 C 0.6080(4) 0.8518(3) 0.6490(3) 0.0229(10) Uani 1 1 d .
C26 C 0.6643(4) 0.8717(3) 0.5852(3) 0.0265(11) Uani 1 1 d .
C27 C 0.2331(5) 1.1653(4) 0.4206(3) 0.0402(14) Uani 1 1 d .
H27 H 0.1942 1.2050 0.3841 0.048 Uiso 1 1 calc R
C28 C 0.2041(5) 1.1314(4) 0.4892(4) 0.0481(16) Uani 1 1 d .
H28 H 0.1406 1.1429 0.5089 0.058 Uiso 1 1 calc R
C29 C 0.2885(4) 1.0746(4) 0.5263(3) 0.0325(12) Uani 1 1 d .
C210 C 0.2935(4) 1.0345(3) 0.6029(3) 0.0315(12) Uani 1 1 d .
C211 C 0.6493(4) 0.7774(3) 0.7053(3) 0.0238(10) Uani 1 1 d .
C212 C 0.7051(4) 0.7956(3) 0.7889(3) 0.0253(11) Uani 1 1 d .
H212 H 0.7100 0.8534 0.8139 0.030 Uiso 1 1 calc R
C213 C 0.7539(4) 0.7247(3) 0.8346(3) 0.0281(11) Uani 1 1 d .
H213 H 0.7913 0.7370 0.8906 0.034 Uiso 1 1 calc R
C214 C 0.6885(4) 0.6221(3) 0.7232(3) 0.0250(10) Uani 1 1 d .
H214 H 0.6809 0.5627 0.7007 0.030 Uiso 1 1 calc R
C215 C 0.6356(4) 0.6876(3) 0.6732(3) 0.0265(11) Uani 1 1 d .
H215 H 0.5918 0.6716 0.6191 0.032 Uiso 1 1 calc R
C216 C 0.2053(3) 1.0570(3) 0.6482(2) 0.0417(14) Uani 1 1 d G
C217 C 0.0954(4) 1.0024(3) 0.6331(3) 0.067(2) Uani 1 1 d G
H217 H 0.0789 0.9494 0.5987 0.080 Uiso 1 1 calc R
C218 C 0.0103(3) 1.0269(4) 0.6694(3) 0.102(3) Uani 1 1 d G
H218 H -0.0632 0.9903 0.6593 0.122 Uiso 1 1 calc R
C219 C 0.0350(4) 1.1061(4) 0.7209(3) 0.088(3) Uani 1 1 d G
H219 H -0.0219 1.1225 0.7452 0.105 Uiso 1 1 calc R
C220 C 0.1449(5) 1.1607(3) 0.7360(3) 0.095(3) Uani 1 1 d G
H220 H 0.1614 1.2137 0.7704 0.114 Uiso 1 1 calc R
C221 C 0.2300(4) 1.1362(3) 0.6997(3) 0.081(3) Uani 1 1 d G
H221 H 0.3036 1.1727 0.7098 0.098 Uiso 1 1 calc R
O11S O 0.7354(12) 0.6412(9) 0.2683(8) 0.119(4) Uani 0.50 1 d PDU
C11S C 0.7452(12) 0.5740(10) 0.3145(8) 0.073(4) Uani 0.50 1 d PDU
H11S H 0.7978 0.5355 0.3076 0.088 Uiso 0.50 1 calc PR
N11S N 0.6781(8) 0.5490(5) 0.3817(6) 0.046(2) Uani 0.50 1 d PDU
C12S C 0.6970(14) 0.4508(7) 0.4083(10) 0.076(4) Uani 0.50 1 d PDU
H12A H 0.6434 0.4279 0.4410 0.114 Uiso 0.50 1 calc PR
H12B H 0.7763 0.4523 0.4408 0.114 Uiso 0.50 1 calc PR
H12C H 0.6832 0.4111 0.3597 0.114 Uiso 0.50 1 calc PR
C13S C 0.6031(14) 0.6264(10) 0.3768(12) 0.096(5) Uani 0.50 1 d PDU
H13A H 0.5936 0.6397 0.4312 0.145 Uiso 0.50 1 calc PR
H13B H 0.5274 0.6070 0.3394 0.145 Uiso 0.50 1 calc PR
H13C H 0.6415 0.6809 0.3568 0.145 Uiso 0.50 1 calc PR
O21S O 0.5226(13) 0.1057(10) 1.0507(9) 0.120(4) Uani 0.50 1 d PDU
C21S C 0.4681(15) 0.1730(13) 1.0399(9) 0.139(8) Uani 0.50 1 d PDU
H21S H 0.4814 0.2258 1.0742 0.166 Uiso 0.50 1 calc PR
N21S N 0.3740(8) 0.1492(6) 0.9575(6) 0.043(2) Uani 0.50 1 d PDU
C22S C 0.3204(12) 0.2389(7) 0.9479(9) 0.069(4) Uani 0.50 1 d PDU
H22A H 0.3643 0.2829 0.9915 0.104 Uiso 0.50 1 calc PR
H22B H 0.2402 0.2259 0.9514 0.104 Uiso 0.50 1 calc PR
H22C H 0.3232 0.2639 0.8949 0.104 Uiso 0.50 1 calc PR
C23S C 0.2977(17) 0.0593(10) 0.9155(12) 0.122(7) Uani 0.50 1 d PDU
H23A H 0.2240 0.0511 0.9305 0.183 Uiso 0.50 1 calc PR
H23B H 0.3376 0.0079 0.9336 0.183 Uiso 0.50 1 calc PR
H23C H 0.2838 0.0627 0.8561 0.183 Uiso 0.50 1 calc PR
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
N14 Co1 N13 90.08(16) . .
N14 Co1 N12 178.29(16) . .
N13 Co1 N12 89.28(16) . .
N14 Co1 N11 90.13(16) . .
N13 Co1 N11 170.44(15) . .
N12 Co1 N11 90.23(16) . .
N14 Co1 N23 94.17(15) . .
N13 Co1 N23 93.34(15) . .
N12 Co1 N23 87.45(15) . .
N11 Co1 N23 96.17(15) . .
N22 Co2 N22 179.998(1) 2_676 .
N22 Co2 N21 89.61(15) 2_676 .
N22 Co2 N21 90.40(15) . .
N22 Co2 N21 90.39(15) 2_676 2_676
N22 Co2 N21 89.61(15) . 2_676
N21 Co2 N21 179.998(1) . 2_676
N22 Co2 N16 92.58(15) 2_676 2_676
N22 Co2 N16 87.42(15) . 2_676
N21 Co2 N16 86.53(15) . 2_676
N21 Co2 N16 93.47(15) 2_676 2_676
N22 Co2 N16 87.42(15) 2_676 .
N22 Co2 N16 92.58(15) . .
N21 Co2 N16 93.47(15) . .
N21 Co2 N16 86.53(15) 2_676 .
N16 Co2 N16 180.000(1) 2_676 .
C11 N11 C14 104.6(4) . .
C11 N11 Co1 127.5(3) . .
C14 N11 Co1 127.9(3) . .
C16 N12 C19 104.5(4) . .
C16 N12 Co1 127.0(3) . .
C19 N12 Co1 126.8(3) . .
C114 N13 C111 104.7(4) . .
C114 N13 Co1 127.5(3) . .
C111 N13 Co1 127.8(3) . .
C116 N14 C119 104.7(4) . .
C116 N14 Co1 127.6(3) . .
C119 N14 Co1 126.7(3) . .
C124 N15 C123 115.5(5) . .
C135 N16 C134 116.2(4) . 2_666
C135 N16 Co2 119.9(3) . .
C134 N16 Co2 123.0(3) 2_666 .
C24 N21 C21 105.1(4) . .
C24 N21 Co2 127.8(3) . .
C21 N21 Co2 127.1(3) . .
C26 N22 C29 103.9(4) 2_676 .
C26 N22 Co2 128.4(3) 2_676 .
C29 N22 Co2 127.7(3) . .
C213 N23 C214 117.2(4) . .
C213 N23 Co1 117.8(3) . .
C214 N23 Co1 119.9(3) . .
N11 C11 C120 124.8(4) . .
N11 C11 C12 110.2(4) . .
C120 C11 C12 124.9(4) . .
C13 C12 C11 107.4(4) . .
C13 C12 H12 126.3 . .
C11 C12 H12 126.3 . .
C12 C13 C14 106.7(4) . .
C12 C13 H13 126.7 . .
C14 C13 H13 126.7 . .
N11 C14 C15 124.9(4) . .
N11 C14 C13 111.0(4) . .
C15 C14 C13 123.9(4) . .
C16 C15 C14 122.6(4) . .
C16 C15 C121 117.2(4) . .
C14 C15 C121 120.1(4) . .
N12 C16 C15 125.6(4) . .
N12 C16 C17 110.2(4) . .
C15 C16 C17 124.2(4) . .
C18 C17 C16 107.5(4) . .
C18 C17 H17 126.3 . .
C16 C17 H17 126.2 . .
C17 C18 C19 107.4(4) . .
C17 C18 H18 126.3 . .
C19 C18 H18 126.3 . .
N12 C19 C110 124.2(4) . .
N12 C19 C18 110.4(4) . .
C110 C19 C18 125.2(4) . .
C111 C110 C19 122.2(4) . .
C111 C110 C126 119.0(4) . .
C19 C110 C126 118.8(4) . .
C110 C111 N13 125.8(4) . .
C110 C111 C112 124.1(4) . .
N13 C111 C112 110.1(4) . .
C113 C112 C111 107.1(5) . .
C113 C112 H112 126.4 . .
C111 C112 H112 126.4 . .
C112 C113 C114 107.3(4) . .
C112 C113 H113 126.4 . .
C114 C113 H113 126.4 . .
N13 C114 C115 124.5(4) . .
N13 C114 C113 110.6(4) . .
C115 C114 C113 124.5(4) . .
C116 C115 C114 123.0(4) . .
C116 C115 C132 119.7(4) . .
C114 C115 C132 117.2(4) . .
N14 C116 C115 125.4(4) . .
N14 C116 C117 110.7(4) . .
C115 C116 C117 123.8(4) . .
C118 C117 C116 106.3(5) . .
C118 C117 H117 126.9 . .
C116 C117 H117 126.9 . .
C117 C118 C119 107.4(4) . .
C117 C118 H118 126.3 . .
C119 C118 H118 126.3 . .
N14 C119 C120 125.1(4) . .
N14 C119 C118 110.7(4) . .
C120 C119 C118 124.1(4) . .
C119 C120 C11 123.0(4) . .
C119 C120 C137 117.9(4) . .
C11 C120 C137 119.0(4) . .
C122 C121 C125 115.9(5) . .
C122 C121 C15 122.9(5) . .
C125 C121 C15 121.2(5) . .
C123 C122 C121 120.4(6) . .
C123 C122 H122 119.8 . .
C121 C122 H122 119.8 . .
N15 C123 C122 124.4(6) . .
N15 C123 H123 117.8 . .
C122 C123 H123 117.8 . .
N15 C124 C125 124.3(6) . .
N15 C124 H124 117.9 . .
C125 C124 H124 117.9 . .
C124 C125 C121 119.4(5) . .
C124 C125 H125 120.3 . .
C121 C125 H125 120.3 . .
C127 C126 C131 120.0 . .
C127 C126 C110 120.6(3) . .
C131 C126 C110 119.4(3) . .
C126 C127 C128 120.0 . .
C126 C127 H127 120.0 . .
C128 C127 H127 120.0 . .
C129 C128 C127 120.0 . .
C129 C128 H128 120.0 . .
C127 C128 H128 120.0 . .
C130 C129 C128 120.0 . .
C130 C129 H129 120.0 . .
C128 C129 H129 120.0 . .
C131 C130 C129 120.0 . .
C131 C130 H130 120.0 . .
C129 C130 H130 120.0 . .
C130 C131 C126 120.0 . .
C130 C131 H131 120.0 . .
C126 C131 H131 120.0 . .
C136 C132 C133 116.5(4) . .
C136 C132 C115 120.9(4) . .
C133 C132 C115 122.6(4) . .
C134 C133 C132 120.3(5) . .
C134 C133 H133 119.8 . .
C132 C133 H133 119.8 . .
N16 C134 C133 123.4(4) 2_666 .
N16 C134 H134 118.3 2_666 .
C133 C134 H134 118.3 . .
N16 C135 C136 123.8(5) . 2_666
N16 C135 H135 118.1 . .
C136 C135 H135 118.1 2_666 .
C135 C136 C132 119.8(4) 2_666 .
C135 C136 H136 120.1 2_666 .
C132 C136 H136 120.1 . .
C138 C137 C142 118.7(5) . .
C138 C137 C120 120.2(4) . .
C142 C137 C120 121.0(4) . .
C137 C138 C139 121.0(5) . .
C137 C138 H138 119.5 . .
C139 C138 H138 119.5 . .
C140 C139 C138 119.8(5) . .
C140 C139 H139 120.1 . .
C138 C139 H139 120.1 . .
C141 C140 C139 119.3(5) . .
C141 C140 H140 120.4 . .
C139 C140 H140 120.4 . .
C140 C141 C142 121.5(5) . .
C140 C141 H141 119.3 . .
C142 C141 H141 119.3 . .
C141 C142 C137 119.7(5) . .
C141 C142 H142 120.2 . .
C137 C142 H142 120.1 . .
N21 C21 C210 124.6(4) . .
N21 C21 C22 110.4(4) . .
C210 C21 C22 125.0(4) . .
C23 C22 C21 107.0(4) . .
C23 C22 H22 126.5 . .
C21 C22 H22 126.5 . .
C22 C23 C24 107.0(4) . .
C22 C23 H23 126.5 . .
C24 C23 H23 126.5 . .
N21 C24 C25 124.8(4) . .
N21 C24 C23 110.5(4) . .
C25 C24 C23 124.7(4) . .
C24 C25 C26 123.7(4) . .
C24 C25 C211 120.2(4) . .
C26 C25 C211 116.0(4) . .
N22 C26 C25 125.5(4) 2_676 .
N22 C26 C27 111.1(4) 2_676 2_676
C25 C26 C27 123.4(4) . 2_676
C28 C27 C26 106.7(4) . 2_676
C28 C27 H27 126.7 . .
C26 C27 H27 126.7 2_676 .
C27 C28 C29 107.3(4) . .
C27 C28 H28 126.4 . .
C29 C28 H28 126.4 . .
N22 C29 C210 125.2(4) . .
N22 C29 C28 110.9(4) . .
C210 C29 C28 123.8(4) . .
C21 C210 C29 124.7(4) . .
C21 C210 C216 119.2(4) . .
C29 C210 C216 116.1(4) . .
C212 C211 C215 118.3(4) . .
C212 C211 C25 121.9(4) . .
C215 C211 C25 119.8(4) . .
C211 C212 C213 118.2(4) . .
C211 C212 H212 120.9 . .
C213 C212 H212 120.9 . .
N23 C213 C212 123.8(4) . .
N23 C213 H213 118.1 . .
C212 C213 H213 118.1 . .
N23 C214 C215 123.1(4) . .
N23 C214 H214 118.4 . .
C215 C214 H214 118.5 . .
C211 C215 C214 119.1(4) . .
C211 C215 H215 120.5 . .
C214 C215 H215 120.5 . .
C217 C216 C221 120.0 . .
C217 C216 C210 119.6(3) . .
C221 C216 C210 120.2(3) . .
C218 C217 C216 120.0 . .
C218 C217 H217 120.0 . .
C216 C217 H217 120.0 . .
C219 C218 C217 120.0 . .
C219 C218 H218 120.0 . .
C217 C218 H218 120.0 . .
C218 C219 C220 120.0 . .
C218 C219 H219 120.0 . .
C220 C219 H219 120.0 . .
C219 C220 C221 120.0 . .
C219 C220 H220 120.0 . .
C221 C220 H220 120.0 . .
C220 C221 C216 120.0 . .
C220 C221 H221 120.0 . .
C216 C221 H221 120.0 . .
O11S C11S N11S 125.9(12) . .
O11S C11S H11S 117.0 . .
N11S C11S H11S 117.0 . .
C13S N11S C12S 147.8(11) . .
C13S N11S C11S 102.8(10) . .
C12S N11S C11S 107.3(9) . .
N11S C12S H12A 109.5 . .
N11S C12S H12B 109.5 . .
H12A C12S H12B 109.5 . .
N11S C12S H12C 109.5 . .
H12A C12S H12C 109.5 . .
H12B C12S H12C 109.5 . .
N11S C13S H13A 109.5 . .
N11S C13S H13B 109.5 . .
H13A C13S H13B 109.5 . .
N11S C13S H13C 109.5 . .
H13A C13S H13C 109.5 . .
H13B C13S H13C 109.5 . .
O21S C21S N21S 104.8(12) . .
O21S C21S H21S 127.6 . .
N21S C21S H21S 127.6 . .
C22S N21S C21S 99.8(9) . .
C22S N21S C23S 118.7(12) . .
C21S N21S C23S 134.3(12) . .
N21S C22S H22A 109.5 . .
N21S C22S H22B 109.5 . .
H22A C22S H22B 109.5 . .
N21S C22S H22C 109.5 . .
H22A C22S H22C 109.5 . .
H22B C22S H22C 109.5 . .
N21S C23S H23A 110.0 . .
N21S C23S H23B 109.9 . .
H23A C23S H23B 109.1 . .
N21S C23S H23C 109.8 . .
H23A C23S H23C 109.1 . .
H23B C23S H23C 109.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N14 1.965(4) .
Co1 N13 1.970(4) .
Co1 N12 1.970(4) .
Co1 N11 1.974(4) .
Co1 N23 2.178(4) .
Co2 N22 1.962(4) 2_676
Co2 N22 1.962(4) .
Co2 N21 2.007(4) .
Co2 N21 2.007(4) 2_676
Co2 N16 2.288(4) 2_676
Co2 N16 2.288(4) .
N11 C11 1.374(6) .
N11 C14 1.377(6) .
N12 C16 1.379(6) .
N12 C19 1.395(6) .
N13 C114 1.382(6) .
N13 C111 1.387(6) .
N14 C116 1.361(6) .
N14 C119 1.379(6) .
N15 C124 1.321(8) .
N15 C123 1.339(9) .
N16 C135 1.332(6) .
N16 C134 1.341(6) 2_666
N21 C24 1.378(6) .
N21 C21 1.382(6) .
N22 C26 1.377(6) 2_676
N22 C29 1.388(6) .
N23 C213 1.334(6) .
N23 C214 1.340(6) .
C11 C120 1.401(7) .
C11 C12 1.446(7) .
C12 C13 1.333(7) .
C12 H12 0.9300 .
C13 C14 1.437(6) .
C13 H13 0.9300 .
C14 C15 1.404(7) .
C15 C16 1.399(7) .
C15 C121 1.486(7) .
C16 C17 1.434(7) .
C17 C18 1.337(7) .
C17 H17 0.9300 .
C18 C19 1.422(7) .
C18 H18 0.9300 .
C19 C110 1.412(7) .
C110 C111 1.376(7) .
C110 C126 1.507(5) .
C111 C112 1.440(7) .
C112 C113 1.343(7) .
C112 H112 0.9300 .
C113 C114 1.431(7) .
C113 H113 0.9300 .
C114 C115 1.396(7) .
C115 C116 1.396(7) .
C115 C132 1.505(7) .
C116 C117 1.450(7) .
C117 C118 1.337(7) .
C117 H117 0.9300 .
C118 C119 1.425(7) .
C118 H118 0.9300 .
C119 C120 1.391(7) .
C120 C137 1.499(6) .
C121 C122 1.374(7) .
C121 C125 1.399(8) .
C122 C123 1.362(9) .
C122 H122 0.9300 .
C123 H123 0.9300 .
C124 C125 1.380(8) .
C124 H124 0.9300 .
C125 H125 0.9300 .
C126 C127 1.3900 .
C126 C131 1.3900 .
C127 C128 1.3900 .
C127 H127 0.9300 .
C128 C129 1.3900 .
C128 H128 0.9300 .
C129 C130 1.3900 .
C129 H129 0.9300 .
C130 C131 1.3900 .
C130 H130 0.9300 .
C131 H131 0.9300 .
C132 C136 1.382(7) .
C132 C133 1.383(6) .
C133 C134 1.373(7) .
C133 H133 0.9300 .
C134 N16 1.341(6) 2_666
C134 H134 0.9300 .
C135 C136 1.381(7) 2_666
C135 H135 0.9300 .
C136 C135 1.381(7) 2_666
C136 H136 0.9300 .
C137 C138 1.378(7) .
C137 C142 1.395(7) .
C138 C139 1.391(7) .
C138 H138 0.9300 .
C139 C140 1.389(8) .
C139 H139 0.9300 .
C140 C141 1.360(8) .
C140 H140 0.9300 .
C141 C142 1.388(8) .
C141 H141 0.9300 .
C142 H142 0.9300 .
C21 C210 1.389(7) .
C21 C22 1.434(6) .
C22 C23 1.351(7) .
C22 H22 0.9300 .
C23 C24 1.436(6) .
C23 H23 0.9300 .
C24 C25 1.392(6) .
C25 C26 1.395(6) .
C25 C211 1.496(6) .
C26 N22 1.377(6) 2_676
C26 C27 1.433(7) 2_676
C27 C28 1.343(7) .
C27 C26 1.433(7) 2_676
C27 H27 0.9300 .
C28 C29 1.424(7) .
C28 H28 0.9300 .
C29 C210 1.393(7) .
C210 C216 1.507(5) .
C211 C212 1.388(7) .
C211 C215 1.389(6) .
C212 C213 1.399(6) .
C212 H212 0.9300 .
C213 H213 0.9300 .
C214 C215 1.389(6) .
C214 H214 0.9300 .
C215 H215 0.9300 .
C216 C217 1.3900 .
C216 C221 1.3900 .
C217 C218 1.3900 .
C217 H217 0.9300 .
C218 C219 1.3900 .
C218 H218 0.9300 .
C219 C220 1.3900 .
C219 H219 0.9300 .
C220 C221 1.3900 .
C220 H220 0.9300 .
C221 H221 0.9300 .
O11S C11S 1.250(2) .
C11S N11S 1.539(2) .
C11S H11S 0.9300 .
N11S C13S 1.537(2) .
N11S C12S 1.538(2) .
C12S H12A 0.9600 .
C12S H12B 0.9600 .
C12S H12C 0.9600 .
C13S H13A 0.9600 .
C13S H13B 0.9600 .
C13S H13C 0.9600 .
O21S C21S 1.250(2) .
C21S N21S 1.539(2) .
C21S H21S 0.9300 .
N21S C22S 1.538(2) .
N21S C23S 1.539(2) .
C22S H22A 0.9600 .
C22S H22B 0.9600 .
C22S H22C 0.9600 .
C23S H23A 0.9641 .
C23S H23B 0.9641 .
C23S H23C 0.9641 .
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
N14 Co1 N11 C11 -3.6(4) . .
N12 Co1 N11 C11 178.0(4) . .
N23 Co1 N11 C11 90.6(4) . .
N14 Co1 N11 C14 173.5(4) . .
N12 Co1 N11 C14 -4.8(4) . .
N23 Co1 N11 C14 -92.3(4) . .
N13 Co1 N12 C16 -178.5(4) . .
N11 Co1 N12 C16 -8.0(4) . .
N23 Co1 N12 C16 88.1(4) . .
N13 Co1 N12 C19 19.2(4) . .
N11 Co1 N12 C19 -170.3(4) . .
N23 Co1 N12 C19 -74.2(4) . .
N14 Co1 N13 C114 -6.2(4) . .
N12 Co1 N13 C114 172.2(4) . .
N11 Co1 N13 C114 85.1(10) . .
N23 Co1 N13 C114 -100.4(4) . .
N14 Co1 N13 C111 177.2(4) . .
N12 Co1 N13 C111 -4.4(4) . .
N23 Co1 N13 C111 83.0(4) . .
N13 Co1 N14 C116 -6.7(4) . .
N11 Co1 N14 C116 -177.1(4) . .
N23 Co1 N14 C116 86.7(4) . .
N13 Co1 N14 C119 -173.8(4) . .
N11 Co1 N14 C119 15.8(4) . .
N23 Co1 N14 C119 -80.4(4) . .
N22 Co2 N16 C135 38.7(4) 2_676 .
N22 Co2 N16 C135 -141.3(4) . .
N21 Co2 N16 C135 -50.8(4) . .
N21 Co2 N16 C135 129.2(4) 2_676 .
N22 Co2 N16 C134 -130.7(4) 2_676 2_666
N22 Co2 N16 C134 49.3(4) . 2_666
N21 Co2 N16 C134 139.8(4) . 2_666
N21 Co2 N16 C134 -40.2(4) 2_676 2_666
N22 Co2 N21 C24 -2.1(4) 2_676 .
N22 Co2 N21 C24 177.9(4) . .
N16 Co2 N21 C24 -94.7(4) 2_676 .
N16 Co2 N21 C24 85.3(4) . .
N22 Co2 N21 C21 175.5(4) 2_676 .
N22 Co2 N21 C21 -4.5(4) . .
N16 Co2 N21 C21 82.9(4) 2_676 .
N16 Co2 N21 C21 -97.1(4) . .
N21 Co2 N22 C26 176.7(4) . 2_676
N21 Co2 N22 C26 -3.3(4) 2_676 2_676
N16 Co2 N22 C26 90.2(4) 2_676 2_676
N16 Co2 N22 C26 -89.8(4) . 2_676
N21 Co2 N22 C29 -0.9(4) . .
N21 Co2 N22 C29 179.1(4) 2_676 .
N16 Co2 N22 C29 -87.4(4) 2_676 .
N16 Co2 N22 C29 92.6(4) . .
N14 Co1 N23 C213 130.8(3) . .
N13 Co1 N23 C213 -138.9(3) . .
N12 Co1 N23 C213 -49.8(3) . .
N11 Co1 N23 C213 40.2(3) . .
N14 Co1 N23 C214 -75.0(4) . .
N13 Co1 N23 C214 15.3(3) . .
N12 Co1 N23 C214 104.5(3) . .
N11 Co1 N23 C214 -165.6(3) . .
C14 N11 C11 C120 174.1(4) . .
Co1 N11 C11 C120 -8.2(6) . .
C14 N11 C11 C12 -3.3(5) . .
Co1 N11 C11 C12 174.4(3) . .
N11 C11 C12 C13 1.8(5) . .
C120 C11 C12 C13 -175.6(4) . .
C11 C12 C13 C14 0.5(5) . .
C11 N11 C14 C15 -171.1(4) . .
Co1 N11 C14 C15 11.3(7) . .
C11 N11 C14 C13 3.6(5) . .
Co1 N11 C14 C13 -174.1(3) . .
C12 C13 C14 N11 -2.6(5) . .
C12 C13 C14 C15 172.1(5) . .
N11 C14 C15 C16 -4.4(7) . .
C13 C14 C15 C16 -178.4(4) . .
N11 C14 C15 C121 171.8(4) . .
C13 C14 C15 C121 -2.2(7) . .
C19 N12 C16 C15 -178.4(5) . .
Co1 N12 C16 C15 16.2(7) . .
C19 N12 C16 C17 2.0(5) . .
Co1 N12 C16 C17 -163.4(3) . .
C14 C15 C16 N12 -9.8(7) . .
C121 C15 C16 N12 173.9(4) . .
C14 C15 C16 C17 169.7(5) . .
C121 C15 C16 C17 -6.6(7) . .
N12 C16 C17 C18 -1.0(6) . .
C15 C16 C17 C18 179.4(5) . .
C16 C17 C18 C19 -0.5(6) . .
C16 N12 C19 C110 171.9(5) . .
Co1 N12 C19 C110 -22.6(7) . .
C16 N12 C19 C18 -2.3(5) . .
Co1 N12 C19 C18 163.1(4) . .
C17 C18 C19 N12 1.8(6) . .
C17 C18 C19 C110 -172.4(5) . .
N12 C19 C110 C111 4.8(8) . .
C18 C19 C110 C111 178.1(5) . .
N12 C19 C110 C126 -175.5(4) . .
C18 C19 C110 C126 -2.1(8) . .
C19 C110 C111 N13 11.7(8) . .
C126 C110 C111 N13 -168.1(4) . .
C19 C110 C111 C112 -171.0(5) . .
C126 C110 C111 C112 9.3(7) . .
C114 N13 C111 C110 173.5(5) . .
Co1 N13 C111 C110 -9.3(7) . .
C114 N13 C111 C112 -4.2(5) . .
Co1 N13 C111 C112 173.0(3) . .
C110 C111 C112 C113 -175.2(5) . .
N13 C111 C112 C113 2.5(6) . .
C111 C112 C113 C114 0.2(6) . .
C111 N13 C114 C115 -169.3(4) . .
Co1 N13 C114 C115 13.5(7) . .
C111 N13 C114 C113 4.3(5) . .
Co1 N13 C114 C113 -172.9(3) . .
C112 C113 C114 N13 -2.9(6) . .
C112 C113 C114 C115 170.7(5) . .
N13 C114 C115 C116 -7.1(7) . .
C113 C114 C115 C116 -179.9(5) . .
N13 C114 C115 C132 170.9(4) . .
C113 C114 C115 C132 -1.9(7) . .
C119 N14 C116 C115 -176.7(4) . .
Co1 N14 C116 C115 13.9(7) . .
C119 N14 C116 C117 3.8(5) . .
Co1 N14 C116 C117 -165.5(3) . .
C114 C115 C116 N14 -7.1(8) . .
C132 C115 C116 N14 175.0(4) . .
C114 C115 C116 C117 172.3(5) . .
C132 C115 C116 C117 -5.7(7) . .
N14 C116 C117 C118 -2.2(6) . .
C115 C116 C117 C118 178.4(5) . .
C116 C117 C118 C119 -0.5(5) . .
C116 N14 C119 C120 172.7(4) . .
Co1 N14 C119 C120 -17.8(7) . .
C116 N14 C119 C118 -4.2(5) . .
Co1 N14 C119 C118 165.3(3) . .
C117 C118 C119 N14 2.9(6) . .
C117 C118 C119 C120 -174.0(5) . .
N14 C119 C120 C11 2.3(7) . .
C118 C119 C120 C11 178.8(5) . .
N14 C119 C120 C137 -174.5(4) . .
C118 C119 C120 C137 2.0(7) . .
N11 C11 C120 C119 11.2(7) . .
C12 C11 C120 C119 -171.9(5) . .
N11 C11 C120 C137 -172.0(4) . .
C12 C11 C120 C137 5.0(7) . .
C16 C15 C121 C122 113.0(6) . .
C14 C15 C121 C122 -63.4(7) . .
C16 C15 C121 C125 -65.4(6) . .
C14 C15 C121 C125 118.2(5) . .
C125 C121 C122 C123 0.9(8) . .
C15 C121 C122 C123 -177.7(5) . .
C124 N15 C123 C122 0.0(10) . .
C121 C122 C123 N15 -1.0(10) . .
C123 N15 C124 C125 1.2(9) . .
N15 C124 C125 C121 -1.3(9) . .
C122 C121 C125 C124 0.2(7) . .
C15 C121 C125 C124 178.8(5) . .
C111 C110 C126 C127 -123.5(4) . .
C19 C110 C126 C127 56.8(5) . .
C111 C110 C126 C131 58.8(5) . .
C19 C110 C126 C131 -121.0(4) . .
C131 C126 C127 C128 0.0 . .
C110 C126 C127 C128 -177.8(4) . .
C126 C127 C128 C129 0.0 . .
C127 C128 C129 C130 0.0 . .
C128 C129 C130 C131 0.0 . .
C129 C130 C131 C126 0.0 . .
C127 C126 C131 C130 0.0 . .
C110 C126 C131 C130 177.8(4) . .
C116 C115 C132 C136 114.7(5) . .
C114 C115 C132 C136 -63.4(6) . .
C116 C115 C132 C133 -63.1(6) . .
C114 C115 C132 C133 118.9(5) . .
C136 C132 C133 C134 1.8(7) . .
C115 C132 C133 C134 179.7(4) . .
C132 C133 C134 N16 -1.3(7) . 2_666
C134 N16 C135 C136 -0.4(7) 2_666 2_666
Co2 N16 C135 C136 -170.5(4) . 2_666
C133 C132 C136 C135 -1.4(7) . 2_666
C115 C132 C136 C135 -179.2(5) . 2_666
C119 C120 C137 C138 67.2(7) . .
C11 C120 C137 C138 -109.8(6) . .
C119 C120 C137 C142 -109.0(6) . .
C11 C120 C137 C142 74.0(6) . .
C142 C137 C138 C139 2.0(9) . .
C120 C137 C138 C139 -174.3(5) . .
C137 C138 C139 C140 -2.2(10) . .
C138 C139 C140 C141 2.4(10) . .
C139 C140 C141 C142 -2.7(10) . .
C140 C141 C142 C137 2.6(10) . .
C138 C137 C142 C141 -2.2(9) . .
C120 C137 C142 C141 174.1(5) . .
C24 N21 C21 C210 -175.7(5) . .
Co2 N21 C21 C210 6.4(7) . .
C24 N21 C21 C22 2.2(5) . .
Co2 N21 C21 C22 -175.8(3) . .
N21 C21 C22 C23 -2.8(6) . .
C210 C21 C22 C23 175.0(5) . .
C21 C22 C23 C24 2.1(6) . .
C21 N21 C24 C25 -179.9(4) . .
Co2 N21 C24 C25 -2.0(7) . .
C21 N21 C24 C23 -0.9(5) . .
Co2 N21 C24 C23 177.1(3) . .
C22 C23 C24 N21 -0.9(6) . .
C22 C23 C24 C25 178.2(5) . .
N21 C24 C25 C26 6.1(8) . .
C23 C24 C25 C26 -172.8(5) . .
N21 C24 C25 C211 -171.1(4) . .
C23 C24 C25 C211 10.0(7) . .
C24 C25 C26 N22 -4.8(8) . 2_676
C211 C25 C26 N22 172.5(4) . 2_676
C24 C25 C26 C27 173.6(5) . 2_676
C211 C25 C26 C27 -9.1(7) . 2_676
C26 C27 C28 C29 0.6(7) 2_676 .
C26 N22 C29 C210 -172.9(5) 2_676 .
Co2 N22 C29 C210 5.1(8) . .
C26 N22 C29 C28 3.1(6) 2_676 .
Co2 N22 C29 C28 -178.8(4) . .
C27 C28 C29 N22 -2.4(7) . .
C27 C28 C29 C210 173.7(6) . .
N21 C21 C210 C29 -1.6(8) . .
C22 C21 C210 C29 -179.2(5) . .
N21 C21 C210 C216 -179.4(4) . .
C22 C21 C210 C216 3.0(8) . .
N22 C29 C210 C21 -4.4(9) . .
C28 C29 C210 C21 -180.0(6) . .
N22 C29 C210 C216 173.5(5) . .
C28 C29 C210 C216 -2.1(8) . .
C24 C25 C211 C212 -68.2(6) . .
C26 C25 C211 C212 114.4(5) . .
C24 C25 C211 C215 114.1(5) . .
C26 C25 C211 C215 -63.3(6) . .
C215 C211 C212 C213 5.6(7) . .
C25 C211 C212 C213 -172.2(4) . .
C214 N23 C213 C212 -4.6(7) . .
Co1 N23 C213 C212 150.4(4) . .
C211 C212 C213 N23 0.0(7) . .
C213 N23 C214 C215 3.6(7) . .
Co1 N23 C214 C215 -150.8(4) . .
C212 C211 C215 C214 -6.6(7) . .
C25 C211 C215 C214 171.3(4) . .
N23 C214 C215 C211 2.0(7) . .
C21 C210 C216 C217 -93.5(5) . .
C29 C210 C216 C217 88.5(5) . .
C21 C210 C216 C221 91.7(5) . .
C29 C210 C216 C221 -86.3(5) . .
C221 C216 C217 C218 0.0 . .
C210 C216 C217 C218 -174.8(4) . .
C216 C217 C218 C219 0.0 . .
C217 C218 C219 C220 0.0 . .
C218 C219 C220 C221 0.0 . .
C219 C220 C221 C216 0.0 . .
C217 C216 C221 C220 0.0 . .
C210 C216 C221 C220 174.8(4) . .
O11S C11S N11S C13S -1(2) . .
O11S C11S N11S C12S 167.5(16) . .
O21S C21S N21S C22S -175.8(15) . .
O21S C21S N21S C23S 36(3) . .
