#------------------------------------------------------------------------------
#$Date: 2018-09-01 00:53:39 +0300 (Sat, 01 Sep 2018) $
#$Revision: 210267 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/10/4301033.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_4301033
loop_
_publ_author_name
'Gao, Jian'
'Reibenspies, Joseph H.'
'Zingaro, Ralph A.'
'Woolley, F. Ross'
'Martell, Arthur E.'
'Clearfield, Abraham'
_publ_section_title
;
 Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type
 Macrocyclic Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              232
_journal_page_last               241
_journal_paper_doi               10.1021/ic049181m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C68 H91 Cl4 Co4 N8 O30'
_chemical_formula_weight         1878.01
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   16.970(5)
_cell_length_b                   19.821(5)
_cell_length_c                   23.093(5)
_cell_measurement_temperature    110(2)
_cell_volume                     7768(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.606
_cod_duplicate_entry             4308425
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4301033
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
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 0.16234(15) 0.73153(12) 0.33260(11) 0.0429(8) Uani 1 1 d . . .
Co2 Co 0.32808(15) 0.72392(12) 0.33462(11) 0.0427(8) Uani 1 1 d . . .
Co3 Co 0.32571(15) 0.70958(13) 0.17616(12) 0.0449(8) Uani 1 1 d . . .
Co4 Co 0.16028(15) 0.70613(13) 0.17490(11) 0.0454(8) Uani 1 1 d . . .
Cl3 Cl 0.5344(4) 0.0014(3) 0.2230(3) 0.0711(17) Uani 1 1 d U . .
Cl4 Cl 0.4711(4) 0.9250(3) 0.4665(3) 0.0735(16) Uani 1 1 d U . .
Cl5 Cl 0.4679(5) 0.0697(4) 0.9666(3) 0.094(2) Uani 1 1 d U . .
Cl6 Cl 0.5233(4) 0.9892(3) 0.7200(3) 0.0691(16) Uani 1 1 d U . .
O1 O 0.3477(6) 0.6920(6) 0.2584(5) 0.043(3) Uani 1 1 d . . .
H1A H 0.3802 0.6531 0.2610 0.052 Uiso 1 1 calc R . .
O2 O 0.1401(6) 0.6975(5) 0.2563(5) 0.038(3) Uani 1 1 d . . .
H2A H 0.1040 0.6612 0.2609 0.046 Uiso 1 1 calc R . .
O3 O 0.2496(7) 0.7814(4) 0.3085(3) 0.0364(19) Uani 1 1 d U . .
O4 O 0.2391(7) 0.6659(4) 0.3426(3) 0.040(2) Uani 1 1 d U . .
O5 O 0.2418(8) 0.7698(5) 0.1902(3) 0.046(2) Uani 1 1 d U . .
O6 O 0.2452(8) 0.6445(4) 0.1794(3) 0.040(2) Uani 1 1 d U . .
O7 O 0.1781(7) 0.7664(6) 0.4072(5) 0.055(3) Uani 1 1 d U . .
O8 O 0.3128(8) 0.7523(7) 0.4119(5) 0.058(3) Uani 1 1 d U . .
O10 O 0.3121(9) 0.7234(7) 0.0977(6) 0.071(3) Uani 1 1 d U . .
O11 O 0.1757(8) 0.7157(7) 0.0956(6) 0.068(3) Uani 1 1 d U . .
O13 O 0.4681(9) 0.0468(7) 0.2306(6) 0.086(4) Uani 1 1 d U . .
O14 O 0.5315(9) -0.0280(7) 0.1668(7) 0.089(4) Uani 1 1 d U . .
O15 O 0.6065(8) 0.0401(7) 0.2290(6) 0.075(4) Uani 1 1 d U . .
O16 O 0.5325(9) -0.0503(7) 0.2652(7) 0.090(4) Uani 1 1 d U . .
O17 O 0.4528(9) 0.9537(7) 0.5208(5) 0.086(4) Uani 1 1 d U . .
O18 O 0.4090(10) 0.8800(8) 0.4479(6) 0.100(4) Uani 1 1 d U . .
O19 O 0.4797(9) 0.9771(8) 0.4250(7) 0.101(4) Uani 1 1 d U . .
O20 O 0.5410(10) 0.8827(8) 0.4719(6) 0.097(4) Uani 1 1 d U . .
O21 O 0.4547(11) 0.1436(10) 0.9577(7) 0.131(5) Uani 1 1 d U . .
O22 O 0.4595(10) 0.0400(9) 0.9104(6) 0.105(4) Uani 1 1 d U . .
O23 O 0.5439(11) 0.0691(9) 0.9873(7) 0.117(4) Uani 1 1 d U . .
O24 O 0.4084(10) 0.0525(9) 1.0079(6) 0.110(4) Uani 1 1 d U . .
O25 O 0.5264(9) 1.0278(8) 0.6666(7) 0.088(4) Uani 1 1 d U . .
O26 O 0.5257(9) 1.0280(7) 0.7701(7) 0.091(4) Uani 1 1 d U . .
O27 O 0.5882(8) 0.9447(7) 0.7232(5) 0.065(3) Uani 1 1 d U . .
O28 O 0.4504(9) 0.9492(8) 0.7191(7) 0.095(4) Uani 1 1 d U . .
N1 N 0.0912(8) 0.8001(7) 0.3180(6) 0.042(2) Uani 1 1 d U . .
N2 N 0.0836(9) 0.6821(8) 0.3652(6) 0.048(2) Uani 1 1 d U . .
N3 N 0.4011(9) 0.6626(8) 0.3627(7) 0.050(2) Uani 1 1 d U . .
N4 N 0.4074(8) 0.7850(7) 0.3310(6) 0.045(2) Uani 1 1 d U . .
N5 N 0.0830(9) 0.7679(8) 0.1660(6) 0.055(2) Uani 1 1 d U . .
N6 N 0.0849(9) 0.6390(8) 0.1593(6) 0.052(2) Uani 1 1 d U . .
N7 N 0.4048(9) 0.6517(8) 0.1564(6) 0.050(2) Uani 1 1 d U . .
N8 N 0.3993(8) 0.7772(8) 0.1756(6) 0.053(2) Uani 1 1 d U . .
C1 C 0.2525(13) 0.8484(7) 0.3084(5) 0.0392(19) Uani 1 1 d U . .
C2 C 0.3247(10) 0.8813(9) 0.3050(8) 0.042(2) Uani 1 1 d U . .
C3 C 0.3318(11) 0.9529(9) 0.2935(7) 0.047(2) Uani 1 1 d U . .
H3A H 0.3820 0.9742 0.2926 0.057 Uiso 1 1 calc R . .
C4 C 0.2650(11) 0.9888(8) 0.2840(6) 0.049(2) Uani 1 1 d U . .
C5 C 0.1924(10) 0.9574(9) 0.2893(7) 0.045(2) Uani 1 1 d U . .
H5A H 0.1462 0.9838 0.2843 0.054 Uiso 1 1 calc R . .
C6 C 0.1836(10) 0.8871(9) 0.3017(8) 0.041(2) Uani 1 1 d U . .
C7 C 0.2719(10) 1.0614(7) 0.2659(7) 0.057(4) Uani 1 1 d U . .
H7A H 0.3277 1.0736 0.2626 0.086 Uiso 1 1 calc R . .
H7B H 0.2466 1.0902 0.2950 0.086 Uiso 1 1 calc R . .
H7C H 0.2459 1.0678 0.2284 0.086 Uiso 1 1 calc R . .
C8 C 0.1103(10) 0.8599(9) 0.3071(7) 0.043(2) Uani 1 1 d U . .
H8A H 0.0678 0.8904 0.3020 0.051 Uiso 1 1 calc R . .
C9 C 0.0092(9) 0.7700(8) 0.3199(7) 0.046(2) Uani 1 1 d U . .
H9A H 0.0024 0.7425 0.2840 0.055 Uiso 1 1 calc R . .
C10 C 0.0073(9) 0.7234(9) 0.3689(7) 0.049(2) Uani 1 1 d U . .
H10A H 0.0098 0.7509 0.4051 0.059 Uiso 1 1 calc R . .
C11 C -0.0698(10) 0.6818(9) 0.3708(8) 0.051(3) Uani 1 1 d U . .
H11A H -0.0695 0.6501 0.4038 0.061 Uiso 1 1 calc R . .
H11B H -0.0769 0.6560 0.3345 0.061 Uiso 1 1 calc R . .
C12 C -0.1371(10) 0.7365(9) 0.3781(7) 0.053(3) Uani 1 1 d U . .
H12A H -0.1890 0.7141 0.3820 0.064 Uiso 1 1 calc R . .
H12B H -0.1275 0.7640 0.4132 0.064 Uiso 1 1 calc R . .
C13 C -0.1357(10) 0.7822(8) 0.3228(7) 0.052(3) Uani 1 1 d U . .
H13A H -0.1405 0.7541 0.2876 0.063 Uiso 1 1 calc R . .
H13B H -0.1804 0.8143 0.3237 0.063 Uiso 1 1 calc R . .
C14 C -0.0587(9) 0.8202(8) 0.3221(7) 0.049(3) Uani 1 1 d U . .
H14A H -0.0543 0.8484 0.3573 0.058 Uiso 1 1 calc R . .
H14B H -0.0566 0.8501 0.2879 0.058 Uiso 1 1 calc R . .
C15 C 0.0883(11) 0.6250(10) 0.3863(7) 0.047(3) Uani 1 1 d U . .
H15A H 0.0409 0.6024 0.3964 0.057 Uiso 1 1 calc R . .
C16 C 0.1637(11) 0.5898(9) 0.3968(7) 0.047(2) Uani 1 1 d U . .
C17 C 0.2364(11) 0.6148(7) 0.3798(6) 0.044(2) Uani 1 1 d U . .
C18 C 0.3078(11) 0.5805(9) 0.3984(8) 0.049(2) Uani 1 1 d U . .
C19 C 0.3038(11) 0.5224(9) 0.4331(8) 0.053(3) Uani 1 1 d U . .
C20 C 0.2307(12) 0.4956(8) 0.4465(6) 0.054(3) Uani 1 1 d U . .
C21 C 0.1626(11) 0.5287(9) 0.4304(7) 0.051(3) Uani 1 1 d U . .
H21A H 0.1133 0.5105 0.4418 0.061 Uiso 1 1 calc R . .
C22 C 0.2283(11) 0.4248(7) 0.4755(6) 0.057(4) Uani 1 1 d U . .
H22A H 0.1736 0.4130 0.4846 0.086 Uiso 1 1 calc R . .
H22B H 0.2594 0.4257 0.5112 0.086 Uiso 1 1 calc R . .
H22C H 0.2503 0.3912 0.4489 0.086 Uiso 1 1 calc R . .
C23 C 0.3861(11) 0.6082(9) 0.3878(8) 0.049(3) Uani 1 1 d U . .
H23A H 0.4297 0.5825 0.4012 0.059 Uiso 1 1 calc R . .
C24 C 0.4841(11) 0.6844(9) 0.3509(8) 0.052(2) Uani 1 1 d U . .
H24A H 0.4942 0.6756 0.3089 0.063 Uiso 1 1 calc R . .
C25 C 0.4829(10) 0.7586(8) 0.3584(8) 0.050(2) Uani 1 1 d U . .
H25A H 0.4788 0.7674 0.4009 0.061 Uiso 1 1 calc R . .
C26 C 0.5579(10) 0.7906(9) 0.3383(8) 0.054(3) Uani 1 1 d U . .
H26A H 0.5626 0.7865 0.2958 0.065 Uiso 1 1 calc R . .
H26B H 0.5581 0.8392 0.3484 0.065 Uiso 1 1 calc R . .
C27 C 0.6254(11) 0.7559(9) 0.3671(8) 0.058(3) Uani 1 1 d U . .
H27A H 0.6751 0.7753 0.3520 0.070 Uiso 1 1 calc R . .
H27B H 0.6232 0.7656 0.4091 0.070 Uiso 1 1 calc R . .
C28 C 0.6279(11) 0.6820(9) 0.3591(8) 0.059(3) Uani 1 1 d U . .
H28A H 0.6748 0.6631 0.3787 0.070 Uiso 1 1 calc R . .
H28B H 0.6316 0.6711 0.3173 0.070 Uiso 1 1 calc R . .
C29 C 0.5518(10) 0.6502(9) 0.3849(8) 0.057(3) Uani 1 1 d U . .
H29A H 0.5512 0.6007 0.3791 0.068 Uiso 1 1 calc R . .
H29B H 0.5476 0.6599 0.4269 0.068 Uiso 1 1 calc R . .
C30 C 0.4014(10) 0.8499(9) 0.3187(7) 0.044(2) Uani 1 1 d U . .
H30A H 0.4476 0.8770 0.3186 0.053 Uiso 1 1 calc R . .
C31 C 0.2369(11) 0.8328(8) 0.1694(6) 0.048(2) Uani 1 1 d U . .
C32 C 0.1687(12) 0.8656(10) 0.1558(8) 0.054(2) Uani 1 1 d U . .
C33 C 0.1644(11) 0.9344(10) 0.1375(8) 0.057(3) Uani 1 1 d U . .
H33A H 0.1153 0.9562 0.1308 0.069 Uiso 1 1 calc R . .
C34 C 0.2381(13) 0.9687(8) 0.1298(6) 0.060(3) Uani 1 1 d U . .
C35 C 0.3074(11) 0.9367(10) 0.1415(8) 0.056(3) Uani 1 1 d U . .
H35A H 0.3553 0.9610 0.1372 0.068 Uiso 1 1 calc R . .
C36 C 0.3111(11) 0.8672(10) 0.1602(8) 0.052(2) Uani 1 1 d U . .
C37 C 0.2344(14) 1.0396(8) 0.1074(7) 0.074(4) Uani 1 1 d U . .
H37A H 0.1793 1.0527 0.1017 0.110 Uiso 1 1 calc R . .
H37B H 0.2626 1.0424 0.0704 0.110 Uiso 1 1 calc R . .
H37C H 0.2590 1.0702 0.1355 0.110 Uiso 1 1 calc R . .
C38 C 0.0928(11) 0.8335(11) 0.1590(7) 0.055(3) Uani 1 1 d U . .
H38A H 0.0472 0.8610 0.1558 0.066 Uiso 1 1 calc R . .
C39 C 0.0051(10) 0.7370(9) 0.1454(8) 0.057(2) Uani 1 1 d U . .
H39A H 0.0078 0.7321 0.1024 0.068 Uiso 1 1 calc R . .
C40 C 0.0019(10) 0.6694(9) 0.1707(8) 0.056(2) Uani 1 1 d U . .
H40A H -0.0067 0.6733 0.2134 0.067 Uiso 1 1 calc R . .
C41 C -0.0675(11) 0.6270(10) 0.1431(8) 0.062(3) Uani 1 1 d U . .
H41A H -0.0615 0.6242 0.1005 0.074 Uiso 1 1 calc R . .
H41B H -0.0682 0.5806 0.1592 0.074 Uiso 1 1 calc R . .
C42 C -0.1418(11) 0.6641(10) 0.1589(8) 0.065(3) Uani 1 1 d U . .
H42A H -0.1879 0.6411 0.1416 0.078 Uiso 1 1 calc R . .
H42B H -0.1485 0.6642 0.2015 0.078 Uiso 1 1 calc R . .
C43 C -0.1376(11) 0.7357(10) 0.1371(8) 0.062(3) Uani 1 1 d U . .
H43A H -0.1352 0.7350 0.0942 0.075 Uiso 1 1 calc R . .
H43B H -0.1864 0.7597 0.1484 0.075 Uiso 1 1 calc R . .
C44 C -0.0681(10) 0.7740(10) 0.1597(8) 0.059(3) Uani 1 1 d U . .
H44A H -0.0666 0.8195 0.1421 0.071 Uiso 1 1 calc R . .
H44B H -0.0726 0.7792 0.2022 0.071 Uiso 1 1 calc R . .
C45 C 0.0982(11) 0.5799(11) 0.1437(8) 0.051(3) Uani 1 1 d U . .
H45A H 0.0546 0.5509 0.1369 0.061 Uiso 1 1 calc R . .
C46 C 0.1780(12) 0.5530(10) 0.1355(8) 0.049(2) Uani 1 1 d U . .
C47 C 0.2451(14) 0.5860(7) 0.1499(5) 0.047(2) Uani 1 1 d U . .
C48 C 0.3206(11) 0.5562(10) 0.1340(9) 0.050(2) Uani 1 1 d U . .
C49 C 0.3216(12) 0.4913(10) 0.1099(8) 0.053(2) Uani 1 1 d U . .
H49A H 0.3699 0.4687 0.1027 0.063 Uiso 1 1 calc R . .
C50 C 0.2453(15) 0.4588(7) 0.0959(5) 0.052(2) Uani 1 1 d U . .
C51 C 0.1793(12) 0.4894(10) 0.1091(8) 0.050(2) Uani 1 1 d U . .
H51A H 0.1308 0.4678 0.1004 0.060 Uiso 1 1 calc R . .
C52 C 0.2494(15) 0.3915(7) 0.0641(6) 0.062(4) Uani 1 1 d U . .
H52A H 0.1958 0.3755 0.0559 0.093 Uiso 1 1 calc R . .
H52B H 0.2768 0.3583 0.0882 0.093 Uiso 1 1 calc R . .
H52C H 0.2780 0.3974 0.0276 0.093 Uiso 1 1 calc R . .
C53 C 0.3928(11) 0.5888(11) 0.1407(8) 0.050(3) Uani 1 1 d U . .
H53A H 0.4386 0.5627 0.1331 0.060 Uiso 1 1 calc R . .
C54 C 0.4763(11) 0.6841(9) 0.1438(8) 0.056(2) Uani 1 1 d U . .
H54A H 0.4722 0.6999 0.1028 0.067 Uiso 1 1 calc R . .
C55 C 0.4776(10) 0.7467(9) 0.1809(8) 0.055(2) Uani 1 1 d U . .
H55A H 0.4815 0.7305 0.2218 0.066 Uiso 1 1 calc R . .
C56 C 0.5488(10) 0.7948(9) 0.1719(8) 0.057(3) Uani 1 1 d U . .
H56A H 0.5435 0.8184 0.1343 0.069 Uiso 1 1 calc R . .
H56B H 0.5496 0.8292 0.2030 0.069 Uiso 1 1 calc R . .
C57 C 0.6241(10) 0.7552(9) 0.1730(8) 0.062(3) Uani 1 1 d U . .
H57A H 0.6351 0.7413 0.2134 0.074 Uiso 1 1 calc R . .
H57B H 0.6677 0.7848 0.1603 0.074 Uiso 1 1 calc R . .
C58 C 0.6227(11) 0.6882(10) 0.1320(8) 0.062(3) Uani 1 1 d U . .
H58A H 0.6183 0.7019 0.0909 0.075 Uiso 1 1 calc R . .
H58B H 0.6726 0.6629 0.1368 0.075 Uiso 1 1 calc R . .
C59 C 0.5538(10) 0.6429(9) 0.1477(8) 0.059(3) Uani 1 1 d U . .
H59A H 0.5607 0.6253 0.1875 0.070 Uiso 1 1 calc R . .
H59B H 0.5514 0.6041 0.1208 0.070 Uiso 1 1 calc R . .
C60 C 0.3862(11) 0.8388(10) 0.1716(7) 0.052(3) Uani 1 1 d U . .
H60A H 0.4294 0.8688 0.1764 0.062 Uiso 1 1 calc R . .
C61 C 0.2442(15) 0.7699(8) 0.4353(6) 0.056(2) Uani 1 1 d U . .
C62 C 0.2494(13) 0.7961(7) 0.4938(5) 0.055(4) Uani 1 1 d U . .
H62A H 0.3043 0.7941 0.5070 0.083 Uiso 1 1 calc R . .
H62B H 0.2163 0.7689 0.5196 0.083 Uiso 1 1 calc R . .
H62C H 0.2313 0.8430 0.4944 0.083 Uiso 1 1 calc R . .
C63 C 0.2441(16) 0.7244(8) 0.0685(7) 0.065(3) Uani 1 1 d U . .
C64 C 0.2486(14) 0.7413(7) 0.0055(5) 0.058(4) Uani 1 1 d U . .
H64A H 0.1955 0.7411 -0.0111 0.087 Uiso 1 1 calc R . .
H64B H 0.2812 0.7077 -0.0145 0.087 Uiso 1 1 calc R . .
H64C H 0.2721 0.7861 0.0007 0.087 Uiso 1 1 calc R . .
O29 O 0.7424(18) 0.0463(12) 0.7295(13) 0.275(5) Uani 1 1 d U . .
H29C H 0.7842 0.0234 0.7247 0.412 Uiso 1 1 d R . .
C65 C 0.741(3) 0.1000(17) 0.6939(17) 0.275(5) Uani 1 1 d U . .
H65A H 0.7419 0.0744 0.6586 0.412 Uiso 1 1 d R . .
H65B H 0.6918 0.1229 0.6975 0.412 Uiso 1 1 d R . .
H65C H 0.7833 0.1325 0.6931 0.412 Uiso 1 1 d R . .
O30 O 0.257(2) 0.9369(14) 0.9627(8) 0.262(15) Uani 1 1 d . . .
H30B H 0.2303 0.9334 0.9935 0.393 Uiso 1 1 d R . .
C66 C 0.251(3) 1.0216(19) 0.9401(13) 0.262(15) Uani 1 1 d . . .
H66A H 0.2144 1.0472 0.9633 0.393 Uiso 1 1 d R . .
H66B H 0.3026 1.0403 0.9438 0.393 Uiso 1 1 d R . .
H66C H 0.2346 1.0234 0.9003 0.393 Uiso 1 1 d R . .
O31 O 0.544(2) 0.847(3) 0.0080(11) 0.398(5) Uani 1 1 d U . .
H31A H 0.5335 0.8107 -0.0102 0.597 Uiso 1 1 d R . .
C67 C 0.456(3) 0.867(3) 0.0254(17) 0.398(5) Uani 1 1 d U . .
H67A H 0.4125 0.8403 0.0126 0.597 Uiso 1 1 d R . .
H67B H 0.4544 0.8718 0.0667 0.597 Uiso 1 1 d R . .
H67C H 0.4540 0.9107 0.0076 0.597 Uiso 1 1 d R . .
O32 O 1.039(3) 0.871(2) 0.0230(15) 0.366(6) Uani 1 1 d U . .
H32A H 1.0806 0.8492 0.0139 0.548 Uiso 1 1 d R . .
C68 C 0.970(4) 0.839(4) 0.006(2) 0.366(6) Uani 1 1 d U . .
H68A H 0.9858 0.7969 -0.0103 0.548 Uiso 1 1 d R . .
H68B H 0.9385 0.8306 0.0404 0.548 Uiso 1 1 d R . .
H68C H 0.9386 0.8637 -0.0213 0.548 Uiso 1 1 d R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N2 1.821(15) . ?
Co1 N1 1.848(14) . ?
Co1 O4 1.855(11) . ?
Co1 O3 1.864(12) . ?
Co1 O7 1.876(12) . ?
Co1 O2 1.923(11) . ?
Co1 Co2 2.817(3) . ?
Co2 N4 1.812(14) . ?
Co2 N3 1.853(15) . ?
Co2 O3 1.853(11) . ?
Co2 O8 1.889(13) . ?
Co2 O1 1.900(11) . ?
Co2 O4 1.906(12) . ?
Co3 N7 1.824(16) . ?
Co3 N8 1.831(16) . ?
Co3 O10 1.847(14) . ?
Co3 O6 1.880(12) . ?
Co3 O5 1.886(11) . ?
Co3 O1 1.966(12) . ?
Co3 Co4 2.808(3) . ?
Co4 N5 1.806(15) . ?
Co4 O11 1.861(14) . ?
Co4 N6 1.880(16) . ?
Co4 O6 1.892(12) . ?
Co4 O5 1.905(12) . ?
Co4 O2 1.920(11) . ?
Cl3 O16 1.414(13) . ?
Cl3 O14 1.424(14) . ?
Cl3 O15 1.451(13) . ?
Cl3 O13 1.453(14) . ?
Cl4 O17 1.410(13) . ?
Cl4 O19 1.415(15) . ?
Cl4 O18 1.445(15) . ?
Cl4 O20 1.458(15) . ?
Cl5 O23 1.376(17) . ?
Cl5 O24 1.431(14) . ?
Cl5 O22 1.432(15) . ?
Cl5 O21 1.494(18) . ?
Cl6 O26 1.390(14) . ?
Cl6 O27 1.413(13) . ?
Cl6 O25 1.452(14) . ?
Cl6 O28 1.469(15) . ?
O3 C1 1.329(14) . ?
O4 C17 1.330(15) . ?
O5 C31 1.340(16) . ?
O6 C47 1.345(15) . ?
O7 C61 1.30(2) . ?
O8 C61 1.33(2) . ?
O10 C63 1.34(2) . ?
O11 C63 1.33(2) . ?
N1 C8 1.255(19) . ?
N1 C9 1.514(19) . ?
N2 C15 1.24(2) . ?
N2 C10 1.53(2) . ?
N3 C23 1.25(2) . ?
N3 C24 1.50(2) . ?
N4 C30 1.321(19) . ?
N4 C25 1.52(2) . ?
N5 C38 1.32(2) . ?
N5 C39 1.53(2) . ?
N6 C45 1.25(2) . ?
N6 C40 1.55(2) . ?
N7 C53 1.31(2) . ?
N7 C54 1.40(2) . ?
N8 C60 1.25(2) . ?
N8 C55 1.46(2) . ?
C1 C2 1.39(2) . ?
C1 C6 1.41(2) . ?
C2 C3 1.45(2) . ?
C2 C30 1.48(2) . ?
C3 C4 1.36(2) . ?
C4 C5 1.39(2) . ?
C4 C7 1.50(2) . ?
C5 C6 1.43(2) . ?
C6 C8 1.36(2) . ?
C9 C10 1.46(2) . ?
C9 C14 1.52(2) . ?
C10 C11 1.55(2) . ?
C11 C12 1.58(2) . ?
C12 C13 1.57(2) . ?
C13 C14 1.51(2) . ?
C15 C16 1.48(2) . ?
C16 C17 1.39(2) . ?
C16 C21 1.44(2) . ?
C17 C18 1.45(2) . ?
C18 C19 1.40(2) . ?
C18 C23 1.46(2) . ?
C19 C20 1.38(2) . ?
C20 C21 1.38(2) . ?
C20 C22 1.56(2) . ?
C24 C25 1.48(2) . ?
C24 C29 1.55(2) . ?
C25 C26 1.50(2) . ?
C26 C27 1.49(2) . ?
C27 C28 1.48(2) . ?
C28 C29 1.56(2) . ?
C31 C32 1.36(2) . ?
C31 C36 1.45(2) . ?
C32 C33 1.43(2) . ?
C32 C38 1.44(2) . ?
C33 C34 1.44(2) . ?
C34 C35 1.36(2) . ?
C34 C37 1.50(2) . ?
C35 C36 1.44(2) . ?
C36 C60 1.42(2) . ?
C39 C40 1.46(2) . ?
C39 C44 1.48(2) . ?
C40 C41 1.58(2) . ?
C41 C42 1.51(2) . ?
C42 C43 1.51(2) . ?
C43 C44 1.50(2) . ?
C45 C46 1.47(2) . ?
C46 C47 1.35(2) . ?
C46 C51 1.40(3) . ?
C47 C48 1.46(3) . ?
C48 C53 1.39(2) . ?
C48 C49 1.40(3) . ?
C49 C50 1.48(3) . ?
C50 C51 1.31(2) . ?
C50 C52 1.525(18) . ?
C54 C55 1.51(2) . ?
C54 C59 1.55(2) . ?
C55 C56 1.55(2) . ?
C56 C57 1.50(2) . ?
C57 C58 1.63(2) . ?
C58 C59 1.52(2) . ?
C61 C62 1.451(18) . ?
C63 C64 1.497(18) . ?
O29 C65 1.35(3) . ?
O30 C66 1.76(4) . ?
O31 C67 1.59(6) . ?
O32 C68 1.40(7) . ?
