#------------------------------------------------------------------------------
#$Date: 2017-02-04 04:13:30 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191348 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/49/4344964.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_4344964
loop_
_publ_author_name
'Sommer, Michael G.'
'Marx, Raphael'
'Schweinfurth, David'
'Rechkemmer, Yvonne'
'Neugebauer, Petr'
'van der Meer, Margarethe'
'Hohloch, Stephan'
'Demeshko, Serhiy'
'Meyer, Franc'
'van Slageren, Joris'
'Sarkar, Biprajit'
_publ_section_title
;
 Control of Complex Formation through Peripheral Substituents in
 Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear
 Cobalt-Azido Complexes.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              402
_journal_page_last               413
_journal_paper_doi               10.1021/acs.inorgchem.6b02330
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C100 H143 Cl2 Co2 N27 O10'
_chemical_formula_weight         2072.17
_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                103.948(5)
_cell_angle_beta                 106.273(5)
_cell_angle_gamma                111.230(5)
_cell_formula_units_Z            1
_cell_length_a                   12.985(5)
_cell_length_b                   15.089(5)
_cell_length_c                   17.369(5)
_cell_measurement_reflns_used    8665
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      27.58
_cell_measurement_theta_min      1.32
_cell_volume                     2813.2(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Smart AXS'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28337
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    0.408
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.049
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         12808
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0607
_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)+(0.0965P)²+2.2831P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1873
_reflns_number_gt                8665
_reflns_number_total             12808
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic6b02330_si_002.cif
_cod_data_source_block           sar381m
_cod_depositor_comments
'Adding full bibliography for 4344962--4344968.cif.'
_cod_original_cell_volume        2813.2(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4344964
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
C10 C 0.3547(2) 0.0716(2) 0.61353(17) 0.0222(6) Uani 1 1 d .
H10A H 0.3947 0.0317 0.5973 0.027 Uiso 1 1 calc R
H10B H 0.4117 0.1440 0.6355 0.027 Uiso 1 1 calc R
C11 C 0.3164(3) 0.0480(2) 0.68298(17) 0.0219(6) Uani 1 1 d .
C12 C 0.3649(3) 0.0230(2) 0.74962(18) 0.0258(6) Uani 1 1 d .
H12 H 0.4314 0.0102 0.7616 0.031 Uiso 1 1 calc R
C13 C 0.3104(3) 0.0043(3) 0.8749(2) 0.0292(7) Uani 1 1 d .
C14 C 0.3850(3) 0.0903(3) 0.9521(2) 0.0354(8) Uani 1 1 d .
C15 C 0.4041(4) 0.0720(3) 1.0287(2) 0.0458(9) Uani 1 1 d .
H15 H 0.4543 0.1268 1.0818 0.055 Uiso 1 1 calc R
C16 C 0.3493(4) -0.0266(3) 1.0266(2) 0.0489(10) Uani 1 1 d .
H16 H 0.3639 -0.0376 1.0781 0.059 Uiso 1 1 calc R
C17 C 0.2732(4) -0.1085(3) 0.9487(2) 0.0442(9) Uani 1 1 d .
H17 H 0.2353 -0.1739 0.9487 0.053 Uiso 1 1 calc R
C18 C 0.2516(3) -0.0957(3) 0.8698(2) 0.0337(7) Uani 1 1 d .
C20 C 0.2858(3) 0.1228(2) 0.49553(18) 0.0252(6) Uani 1 1 d .
H20A H 0.2239 0.1012 0.4386 0.030 Uiso 1 1 calc R
H20B H 0.3599 0.1293 0.4894 0.030 Uiso 1 1 calc R
C21 C 0.3059(3) 0.2235(2) 0.55498(19) 0.0241(6) Uani 1 1 d .
C22 C 0.3780(3) 0.3244(2) 0.5722(2) 0.0295(7) Uani 1 1 d .
H22 H 0.4315 0.3501 0.5477 0.035 Uiso 1 1 calc R
C23 C 0.4079(3) 0.4887(2) 0.6759(2) 0.0344(7) Uani 1 1 d .
C24 C 0.5164(3) 0.5380(3) 0.7479(2) 0.0379(8) Uani 1 1 d .
C25 C 0.5687(4) 0.6445(3) 0.7853(3) 0.0473(9) Uani 1 1 d .
H25 H 0.6413 0.6806 0.8344 0.057 Uiso 1 1 calc R
C26 C 0.5146(4) 0.6974(3) 0.7507(3) 0.0484(10) Uani 1 1 d .
H26 H 0.5523 0.7689 0.7754 0.058 Uiso 1 1 calc R
C27 C 0.4060(4) 0.6458(3) 0.6801(3) 0.0489(10) Uani 1 1 d .
H27 H 0.3708 0.6831 0.6579 0.059 Uiso 1 1 calc R
C28 C 0.3470(3) 0.5389(3) 0.6409(3) 0.0427(9) Uani 1 1 d .
C30 C 0.2040(3) -0.0609(2) 0.47618(17) 0.0229(6) Uani 1 1 d .
H30A H 0.1676 -0.1070 0.5021 0.027 Uiso 1 1 calc R
H30B H 0.2742 -0.0685 0.4736 0.027 Uiso 1 1 calc R
C31 C 0.1151(3) -0.0964(2) 0.38498(18) 0.0227(6) Uani 1 1 d .
C32 C 0.1385(3) -0.1245(2) 0.31296(19) 0.0281(7) Uani 1 1 d .
H32 H 0.2116 -0.1189 0.3117 0.034 Uiso 1 1 calc R
C33 C 0.0080(3) -0.2045(3) 0.15360(19) 0.0315(7) Uani 1 1 d .
C34 C 0.0381(3) -0.1350(3) 0.1132(2) 0.0402(8) Uani 1 1 d .
C35 C 0.0195(4) -0.1781(3) 0.0264(2) 0.0498(10) Uani 1 1 d .
H35 H 0.0385 -0.1355 -0.0036 0.060 Uiso 1 1 calc R
C36 C -0.0258(4) -0.2815(3) -0.0146(2) 0.0551(11) Uani 1 1 d .
H36 H -0.0365 -0.3081 -0.0720 0.066 Uiso 1 1 calc R
C37 C -0.0564(3) -0.3475(3) 0.0269(2) 0.0484(10) Uani 1 1 d .
H37 H -0.0884 -0.4179 -0.0031 0.058 Uiso 1 1 calc R
C38 C -0.0400(3) -0.3103(3) 0.1135(2) 0.0368(8) Uani 1 1 d .
C40 C 0.4361(3) 0.1984(3) 0.9531(2) 0.0408(8) Uani 1 1 d .
H40 H 0.4502 0.1944 0.9001 0.049 Uiso 1 1 calc R
C41 C 0.3443(4) 0.2400(3) 0.9505(3) 0.0547(11) Uani 1 1 d .
H41A H 0.3779 0.3083 0.9508 0.082 Uiso 1 1 calc R
H41B H 0.3257 0.2420 1.0004 0.082 Uiso 1 1 calc R
H41C H 0.2718 0.1960 0.8987 0.082 Uiso 1 1 calc R
C42 C 0.5566(4) 0.2737(3) 1.0302(3) 0.0545(11) Uani 1 1 d .
H42A H 0.5842 0.3403 1.0267 0.082 Uiso 1 1 calc R
H42B H 0.6153 0.2495 1.0289 0.082 Uiso 1 1 calc R
H42C H 0.5460 0.2786 1.0833 0.082 Uiso 1 1 calc R
C43 C 0.1713(3) -0.1854(3) 0.7832(2) 0.0392(8) Uani 1 1 d .
H43 H 0.1412 -0.1582 0.7409 0.047 Uiso 1 1 calc R
C44 C 0.2428(4) -0.2346(3) 0.7515(3) 0.0591(12) Uani 1 1 d .
H44A H 0.1904 -0.2910 0.6966 0.089 Uiso 1 1 calc R
H44B H 0.2761 -0.2596 0.7930 0.089 Uiso 1 1 calc R
H44C H 0.3072 -0.1845 0.7449 0.089 Uiso 1 1 calc R
C45 C 0.0612(4) -0.2672(3) 0.7858(3) 0.0580(11) Uani 1 1 d .
H45A H 0.0134 -0.3219 0.7296 0.087 Uiso 1 1 calc R
H45B H 0.0133 -0.2366 0.8020 0.087 Uiso 1 1 calc R
H45C H 0.0881 -0.2943 0.8277 0.087 Uiso 1 1 calc R
C50 C 0.5753(4) 0.4781(3) 0.7853(2) 0.0476(9) Uani 1 1 d .
H50 H 0.5272 0.4059 0.7452 0.057 Uiso 1 1 calc R
C51 C 0.5691(9) 0.4822(6) 0.8710(4) 0.134(3) Uani 1 1 d .
H51A H 0.6067 0.4443 0.8934 0.201 Uiso 1 1 calc R
H51B H 0.4860 0.4525 0.8633 0.201 Uiso 1 1 calc R
H51C H 0.6105 0.5526 0.9112 0.201 Uiso 1 1 calc R
C52 C 0.7036(5) 0.5126(5) 0.7887(5) 0.107(2) Uani 1 1 d .
H52A H 0.7014 0.5073 0.7320 0.161 Uiso 1 1 calc R
H52B H 0.7353 0.4694 0.8075 0.161 Uiso 1 1 calc R
H52C H 0.7545 0.5827 0.8288 0.161 Uiso 1 1 calc R
C53 C 0.2223(4) 0.4799(3) 0.5685(3) 0.0616(12) Uani 1 1 d .
H53 H 0.2152 0.4158 0.5315 0.074 Uiso 1 1 calc R
C54 C 0.1238(4) 0.4517(4) 0.6078(4) 0.0778(15) Uani 1 1 d .
H54A H 0.1399 0.4148 0.6437 0.117 Uiso 1 1 calc R
H54B H 0.0449 0.4096 0.5614 0.117 Uiso 1 1 calc R
H54C H 0.1269 0.5137 0.6420 0.117 Uiso 1 1 calc R
C55 C 0.1905(6) 0.5336(5) 0.5141(4) 0.0918(19) Uani 1 1 d .
H55A H 0.1103 0.4899 0.4697 0.138 Uiso 1 1 calc R
H55B H 0.2468 0.5513 0.4876 0.138 Uiso 1 1 calc R
H55C H 0.1935 0.5952 0.5490 0.138 Uiso 1 1 calc R
C60 C 0.0859(4) -0.0195(3) 0.1589(3) 0.0537(11) Uani 1 1 d .
H60 H 0.1188 -0.0020 0.2217 0.064 Uiso 1 1 calc R
C61 C 0.1841(4) 0.0464(4) 0.1368(4) 0.0845(18) Uani 1 1 d .
H61A H 0.2102 0.1178 0.1681 0.127 Uiso 1 1 calc R
H61B H 0.1530 0.0312 0.0756 0.127 Uiso 1 1 calc R
H61C H 0.2514 0.0318 0.1528 0.127 Uiso 1 1 calc R
C62 C -0.0164(5) 0.0075(4) 0.1357(5) 0.104(2) Uani 1 1 d .
H62A H 0.0137 0.0801 0.1649 0.156 Uiso 1 1 calc R
H62B H -0.0769 -0.0294 0.1534 0.156 Uiso 1 1 calc R
H62C H -0.0514 -0.0110 0.0741 0.156 Uiso 1 1 calc R
C63 C -0.0761(3) -0.3824(3) 0.1593(2) 0.0446(9) Uani 1 1 d .
H63 H -0.0288 -0.3425 0.2218 0.054 Uiso 1 1 calc R
C64 C -0.2094(4) -0.4190(3) 0.1430(3) 0.0607(12) Uani 1 1 d .
H64A H -0.2314 -0.4644 0.1724 0.091 Uiso 1 1 calc R
H64B H -0.2583 -0.4550 0.0818 0.091 Uiso 1 1 calc R
H64C H -0.2221 -0.3607 0.1644 0.091 Uiso 1 1 calc R
C65 C -0.0481(5) -0.4723(3) 0.1357(3) 0.0667(13) Uani 1 1 d .
H65A H -0.0720 -0.5146 0.1672 0.100 Uiso 1 1 calc R
H65B H 0.0370 -0.4467 0.1506 0.100 Uiso 1 1 calc R
H65C H -0.0919 -0.5124 0.0745 0.100 Uiso 1 1 calc R
C100 C 0.6561(3) 0.2349(3) 0.7777(3) 0.0489(10) Uani 1 1 d .
H10E H 0.6090 0.1614 0.7443 0.059 Uiso 1 1 calc R
H10F H 0.6011 0.2649 0.7739 0.059 Uiso 1 1 calc R
C101 C 0.6835(4) 0.2608(3) 0.6547(3) 0.0541(10) Uani 1 1 d .
H10C H 0.6243 0.2864 0.6471 0.065 Uiso 1 1 calc R
H10D H 0.6419 0.1874 0.6204 0.065 Uiso 1 1 calc R
C102 C 0.7230(4) 0.2546(4) 0.8701(3) 0.0637(12) Uani 1 1 d .
H10J H 0.6665 0.2249 0.8935 0.096 Uiso 1 1 calc R
H10K H 0.7689 0.3275 0.9030 0.096 Uiso 1 1 calc R
H10L H 0.7768 0.2243 0.8735 0.096 Uiso 1 1 calc R
C103 C 0.7772(5) 0.3141(4) 0.6254(3) 0.0658(13) Uani 1 1 d .
H10G H 0.7395 0.3016 0.5652 0.099 Uiso 1 1 calc R
H10H H 0.8354 0.2883 0.6332 0.099 Uiso 1 1 calc R
H10I H 0.8172 0.3867 0.6591 0.099 Uiso 1 1 calc R
C200 C 0.6629(7) -0.4034(6) 0.6081(5) 0.0448(19) Uani 0.50 1 d P
C201 C 0.7308(7) -0.2983(5) 0.6525(4) 0.0349(15) Uani 0.50 1 d P
H20C H 0.7945 -0.2730 0.6336 0.052 Uiso 0.50 1 calc PR
H20D H 0.7651 -0.2830 0.7136 0.052 Uiso 0.50 1 calc PR
H20E H 0.6800 -0.2659 0.6412 0.052 Uiso 0.50 1 calc PR
N1 N 0.2468(2) 0.04657(18) 0.53540(14) 0.0198(5) Uani 1 1 d .
N2 N -0.0121(2) -0.07535(18) 0.53352(15) 0.0227(5) Uani 1 1 d .
N3 N -0.0207(2) -0.1412(2) 0.56023(17) 0.0330(6) Uani 1 1 d .
N4 N -0.0308(4) -0.2066(3) 0.5852(3) 0.0788(14) Uani 1 1 d .
N10 N 0.2198(2) 0.05929(19) 0.69058(14) 0.0225(5) Uani 1 1 d .
N11 N 0.2053(2) 0.04175(19) 0.75810(15) 0.0244(5) Uani 1 1 d .
N12 N 0.2946(2) 0.02088(19) 0.79460(15) 0.0253(5) Uani 1 1 d .
N20 N 0.2439(2) 0.22301(18) 0.60632(15) 0.0234(5) Uani 1 1 d .
N21 N 0.2728(2) 0.31703(19) 0.65434(17) 0.0284(6) Uani 1 1 d .
N22 N 0.3541(2) 0.37835(19) 0.63294(17) 0.0284(6) Uani 1 1 d .
N30 N -0.0038(2) -0.11850(18) 0.35610(14) 0.0211(5) Uani 1 1 d .
N31 N -0.0545(2) -0.1587(2) 0.27077(15) 0.0270(5) Uani 1 1 d .
N32 N 0.0327(2) -0.1620(2) 0.24445(15) 0.0268(6) Uani 1 1 d .
N200 N 0.6060(10) -0.4831(7) 0.5682(7) 0.105(4) Uani 0.50 1 d P
O1 O 0.5768(4) -0.1625(3) 0.6291(3) 0.1023(16) Uani 1 1 d .
O2 O 0.3986(3) -0.1456(3) 0.6107(3) 0.0855(12) Uani 1 1 d .
O3 O 0.5699(5) -0.0402(5) 0.7338(3) 0.144(2) Uani 1 1 d .
O4 O 0.5614(3) -0.0239(2) 0.6040(3) 0.0734(11) Uani 1 1 d .
O100 O 0.7406(2) 0.2794(2) 0.74359(16) 0.0453(6) Uani 1 1 d .
Cl1 Cl 0.52606(10) -0.09420(8) 0.64315(7) 0.0528(3) Uani 1 1 d .
Co1 Co 0.11446(3) 0.07927(3) 0.58715(2) 0.01975(12) Uani 1 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'
Cl Cl 0.1484 0.1585 '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
C11 C10 N1 110.2(2) . .
C12 C11 N10 107.7(2) . .
C12 C11 C10 132.9(3) . .
N10 C11 C10 119.1(2) . .
N12 C12 C11 104.5(2) . .
C18 C13 C14 124.6(3) . .
C18 C13 N12 118.1(3) . .
C14 C13 N12 117.3(3) . .
C13 C14 C15 116.4(3) . .
C13 C14 C40 121.8(3) . .
C15 C14 C40 121.8(3) . .
C16 C15 C14 120.9(4) . .
C17 C16 C15 120.5(3) . .
C16 C17 C18 121.6(4) . .
C13 C18 C17 116.0(3) . .
C13 C18 C43 121.5(3) . .
C17 C18 C43 122.4(3) . .
N1 C20 C21 106.9(2) . .
N20 C21 C22 107.0(3) . .
N20 C21 C20 119.0(3) . .
C22 C21 C20 134.0(3) . .
N22 C22 C21 104.5(3) . .
C24 C23 C28 124.3(3) . .
C24 C23 N22 118.2(3) . .
C28 C23 N22 117.5(3) . .
C23 C24 C25 116.8(3) . .
C23 C24 C50 121.6(3) . .
C25 C24 C50 121.5(3) . .
C26 C25 C24 120.8(4) . .
C27 C26 C25 120.7(3) . .
C26 C27 C28 121.4(4) . .
C27 C28 C23 115.9(3) . .
C27 C28 C53 122.4(3) . .
C23 C28 C53 121.6(3) . .
N1 C30 C31 117.2(2) . .
N30 C31 C32 107.1(2) . .
N30 C31 C30 128.7(2) . .
C32 C31 C30 123.9(3) . .
N32 C32 C31 105.4(3) . .
C38 C33 C34 124.8(3) . .
C38 C33 N32 118.0(3) . .
C34 C33 N32 117.1(3) . .
C33 C34 C35 115.8(3) . .
C33 C34 C60 122.9(3) . .
C35 C34 C60 121.3(4) . .
C36 C35 C34 120.9(4) . .
C35 C36 C37 121.5(3) . .
C36 C37 C38 120.9(4) . .
C33 C38 C37 116.0(3) . .
C33 C38 C63 122.6(3) . .
C37 C38 C63 121.4(3) . .
C14 C40 C42 113.7(3) . .
C14 C40 C41 110.6(3) . .
C42 C40 C41 110.0(3) . .
C18 C43 C44 110.9(3) . .
C18 C43 C45 112.8(3) . .
C44 C43 C45 109.9(3) . .
C51 C50 C24 110.8(4) . .
C51 C50 C52 113.5(5) . .
C24 C50 C52 111.5(4) . .
C55 C53 C28 115.6(4) . .
C55 C53 C54 106.1(4) . .
C28 C53 C54 109.7(4) . .
C62 C60 C61 108.2(4) . .
C62 C60 C34 109.6(4) . .
C61 C60 C34 114.1(4) . .
C38 C63 C65 113.3(3) . .
C38 C63 C64 110.0(3) . .
C65 C63 C64 111.6(4) . .
O100 C100 C102 109.1(3) . .
O100 C101 C103 108.8(4) . .
N200 C200 C201 174.2(12) . .
C20 N1 C30 112.6(2) . .
C20 N1 C10 107.8(2) . .
C30 N1 C10 106.9(2) . .
C20 N1 Co1 105.72(16) . .
C30 N1 Co1 117.15(17) . .
C10 N1 Co1 106.16(15) . .
N3 N2 Co1 131.0(2) . .
N3 N2 Co1 130.9(2) . 2_556
Co1 N2 Co1 97.99(10) . 2_556
N4 N3 N2 178.9(4) . .
N11 N10 C11 110.2(2) . .
N11 N10 Co1 133.47(19) . .
C11 N10 Co1 115.69(18) . .
N10 N11 N12 105.9(2) . .
N11 N12 C12 111.7(2) . .
N11 N12 C13 120.5(2) . .
C12 N12 C13 127.7(2) . .
N21 N20 C21 110.9(2) . .
N21 N20 Co1 132.7(2) . .
C21 N20 Co1 116.11(19) . .
N20 N21 N22 105.4(2) . .
N21 N22 C22 112.1(3) . .
N21 N22 C23 120.0(3) . .
C22 N22 C23 127.8(3) . .
N31 N30 C31 110.1(2) . .
N31 N30 Co1 113.36(17) . 2_556
C31 N30 Co1 135.31(18) . 2_556
N30 N31 N32 106.4(2) . .
N31 N32 C32 111.0(2) . .
N31 N32 C33 121.5(2) . .
C32 N32 C33 127.4(2) . .
C101 O100 C100 112.3(3) . .
O4 Cl1 O2 109.5(2) . .
O4 Cl1 O3 109.4(3) . .
O2 Cl1 O3 107.1(3) . .
O4 Cl1 O1 109.20(18) . .
O2 Cl1 O1 112.9(3) . .
O3 Cl1 O1 108.7(3) . .
N2 Co1 N20 163.53(9) . .
N2 Co1 N10 91.51(10) . .
N20 Co1 N10 97.08(10) . .
N2 Co1 N2 82.01(10) . 2_556
N20 Co1 N2 87.00(9) . 2_556
N10 Co1 N2 168.27(9) . 2_556
N2 Co1 N30 90.43(10) . 2_556
N20 Co1 N30 102.09(10) . 2_556
N10 Co1 N30 98.57(9) . 2_556
N2 Co1 N30 91.28(9) 2_556 2_556
N2 Co1 N1 93.11(9) . .
N20 Co1 N1 74.95(9) . .
N10 Co1 N1 78.65(9) . .
N2 Co1 N1 91.89(9) 2_556 .
N30 Co1 N1 175.55(9) 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C10 C11 1.498(4) .
C10 N1 1.500(3) .
C11 C12 1.361(4) .
C11 N10 1.363(3) .
C12 N12 1.355(4) .
C13 C18 1.390(5) .
C13 C14 1.394(5) .
C13 N12 1.447(4) .
C14 C15 1.396(5) .
C14 C40 1.516(5) .
C15 C16 1.383(6) .
C16 C17 1.376(6) .
C17 C18 1.395(5) .
C18 C43 1.517(5) .
C20 N1 1.489(4) .
C20 C21 1.499(4) .
C21 N20 1.359(4) .
C21 C22 1.370(4) .
C22 N22 1.350(4) .
C23 C24 1.382(5) .
C23 C28 1.398(5) .
C23 N22 1.443(4) .
C24 C25 1.388(5) .
C24 C50 1.525(5) .
C25 C26 1.376(6) .
C26 C27 1.369(6) .
C27 C28 1.392(5) .
C28 C53 1.508(6) .
C30 N1 1.490(3) .
C30 C31 1.499(4) .
C31 N30 1.363(4) .
C31 C32 1.373(4) .
C32 N32 1.348(4) .
C33 C38 1.386(5) .
C33 C34 1.400(5) .
C33 N32 1.443(4) .
C34 C35 1.401(5) .
C34 C60 1.525(5) .
C35 C36 1.360(6) .
C36 C37 1.375(6) .
C37 C38 1.396(5) .
C38 C63 1.513(5) .
C40 C42 1.528(5) .
C40 C41 1.530(5) .
C43 C44 1.519(5) .
C43 C45 1.535(6) .
C50 C51 1.501(7) .
C50 C52 1.534(7) .
C53 C55 1.453(7) .
C53 C54 1.587(7) .
C60 C62 1.504(6) .
C60 C61 1.517(7) .
C63 C65 1.521(6) .
C63 C64 1.529(6) .
C100 O100 1.425(5) .
C100 C102 1.490(6) .
C101 O100 1.418(5) .
C101 C103 1.491(6) .
C200 N200 1.067(11) .
C200 C201 1.380(10) .
N1 Co1 2.296(2) .
N2 N3 1.178(3) .
N2 Co1 2.081(3) .
N2 Co1 2.118(2) 2_556
N3 N4 1.149(4) .
N10 N11 1.311(3) .
N10 Co1 2.091(2) .
N11 N12 1.339(3) .
N20 N21 1.310(3) .
N20 Co1 2.083(2) .
N21 N22 1.336(4) .
N30 N31 1.315(3) .
N30 Co1 2.125(2) 2_556
N31 N32 1.347(3) .
O1 Cl1 1.419(3) .
O2 Cl1 1.413(4) .
O3 Cl1 1.418(4) .
O4 Cl1 1.403(3) .
Co1 N2 2.118(2) 2_556
Co1 N30 2.125(2) 2_556
