#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:23:26 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179628 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/92/4509285.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509285
loop_
_publ_author_name
'Luo, Feng'
'Zheng, Ji-min'
'Long, Gary J.'
_publ_section_title
;
 Unique Anionic Eight-Connected Net with 36418536 Topology Derived from a
 Rare Co6(μ3-OH)2(μ-H2O)(CO2)12Building Block
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1271
_journal_paper_doi               10.1021/cg801164f
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C52 H42 Co6 N2 O27'
_chemical_formula_weight         1480.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.787(5)
_cell_length_b                   10.590(2)
_cell_length_c                   27.675(5)
_cell_measurement_reflns_used    22670
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.01
_cell_volume                     6359(2)
_computing_cell_refinement       'RAXIS-RAPID Auto(Rigaku, 2004)'
_computing_data_collection       'RAXIS-RAPID Auto(Rigaku, 2004)'
_computing_data_reduction        'CrystalStructure(Rigaku/MSC, 2004)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'rigaku r-axis rapid IP area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1081
_diffrn_reflns_av_sigmaI/netI    0.1162
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            40486
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    1.610
_exptl_absorpt_correction_T_max  0.8607
_exptl_absorpt_correction_T_min  0.6276
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2984
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         0.973
_refine_diff_density_min         -1.458
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     797
_refine_ls_number_reflns         11058
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.928
_refine_ls_R_factor_all          0.1398
_refine_ls_R_factor_gt           0.0887
_refine_ls_shift/su_max          0.102
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1694P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2353
_refine_ls_wR_factor_ref         0.2763
_reflns_number_gt                5990
_reflns_number_total             11058
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg801164fsup1.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_hydrogen_treatment' value 'refu' changed to
'refU' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4509285
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -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
C1 C 0.1920(5) 0.2707(10) 0.6327(4) 0.068(3) Uani 1 1 d .
C2 C 0.1573(4) 0.3466(9) 0.5857(3) 0.060(2) Uani 1 1 d .
C3 C 0.1666(4) 0.3172(9) 0.5396(3) 0.056(2) Uani 1 1 d .
H3 H 0.1958 0.2568 0.5384 0.068 Uiso 1 1 calc R
C4 C 0.1333(4) 0.3764(10) 0.4962(3) 0.058(2) Uani 1 1 d .
C5 C 0.1444(6) 0.3419(12) 0.4471(4) 0.075(3) Uani 1 1 d .
C6 C 0.0918(5) 0.4688(11) 0.4980(4) 0.075(3) Uani 1 1 d .
H6 H 0.0686 0.5080 0.4682 0.090 Uiso 1 1 calc R
C7 C 0.0842(5) 0.5041(10) 0.5439(4) 0.078(3) Uani 1 1 d .
H7 H 0.0571 0.5689 0.5451 0.093 Uiso 1 1 calc R
C8 C 0.1171(5) 0.4425(10) 0.5882(4) 0.070(3) Uani 1 1 d .
H8 H 0.1121 0.4653 0.6191 0.085 Uiso 1 1 calc R
C9 C 0.0139(7) 0.2120(16) 0.6152(5) 0.147(8) Uani 1 1 d .
H9 H 0.0180 0.2650 0.5896 0.177 Uiso 1 1 calc R
C10 C 0.0531(6) 0.2214(13) 0.6630(5) 0.116(6) Uani 1 1 d .
H10 H 0.0841 0.2820 0.6697 0.139 Uiso 1 1 calc R
C11 C 0.0489(4) 0.1454(9) 0.7016(3) 0.057(2) Uani 1 1 d .
C12 C 0.0029(4) 0.0508(8) 0.6911(3) 0.055(2) Uani 1 1 d .
H12 H -0.0002 -0.0046 0.7163 0.066 Uiso 1 1 calc R
C13 C -0.0375(4) 0.0427(8) 0.6424(3) 0.055(2) Uani 1 1 d .
C14 C -0.0311(6) 0.1249(14) 0.6053(4) 0.115(5) Uani 1 1 d .
H14 H -0.0587 0.1196 0.5727 0.138 Uiso 1 1 calc R
C15 C -0.0909(4) -0.0531(10) 0.6302(3) 0.062(2) Uani 1 1 d .
C16 C 0.0909(4) 0.1641(9) 0.7542(3) 0.058(2) Uani 1 1 d .
C17 C 0.3341(4) 0.2461(10) 0.9667(3) 0.062(2) Uani 1 1 d .
C18 C 0.3694(4) 0.1670(9) 1.0118(3) 0.058(2) Uani 1 1 d .
C19 C 0.4091(5) 0.0735(10) 1.0049(4) 0.073(3) Uani 1 1 d .
H19 H 0.4150 0.0634 0.9733 0.087 Uiso 1 1 calc R
C20 C 0.4399(6) -0.0046(13) 1.0447(5) 0.099(4) Uani 1 1 d .
H20 H 0.4673 -0.0653 1.0404 0.118 Uiso 1 1 calc R
C21 C 0.4293(7) 0.0090(16) 1.0909(5) 0.116(5) Uani 1 1 d .
H21 H 0.4494 -0.0435 1.1178 0.139 Uiso 1 1 calc R
C22 C 0.3584(5) 0.1781(11) 1.0580(4) 0.071(3) Uani 1 1 d .
H22 H 0.3305 0.2379 1.0623 0.085 Uiso 1 1 calc R
C23 C 0.3885(6) 0.1011(15) 1.0975(4) 0.090(4) Uani 1 1 d .
C24 C 0.3720(10) 0.127(3) 1.1468(4) 0.157(10) Uani 1 1 d .
C25 C 0.4843(5) 0.3704(10) 0.8742(4) 0.065(3) Uani 1 1 d .
C26 C 0.5334(4) 0.4136(9) 0.8618(4) 0.061(2) Uani 1 1 d .
H26 H 0.5300 0.4220 0.8276 0.073 Uiso 1 1 calc R
C27 C 0.5889(5) 0.4465(9) 0.8976(4) 0.069(3) Uani 1 1 d .
C28 C 0.5913(5) 0.4348(11) 0.9478(4) 0.083(3) Uani 1 1 d .
H28 H 0.6273 0.4572 0.9729 0.099 Uiso 1 1 calc R
C29 C 0.5411(6) 0.3905(14) 0.9622(5) 0.100(4) Uani 1 1 d .
H29 H 0.5444 0.3849 0.9965 0.120 Uiso 1 1 calc R
C30 C 0.4873(5) 0.3550(12) 0.9263(4) 0.087(3) Uani 1 1 d .
H30 H 0.4542 0.3225 0.9354 0.104 Uiso 1 1 calc R
C31 C 0.4245(5) 0.3392(11) 0.8340(4) 0.077(3) Uani 1 1 d .
C32 C 0.6399(5) 0.4929(12) 0.8785(6) 0.084(4) Uani 1 1 d .
C33 C 0.2571(4) 0.4820(9) 0.7548(3) 0.055(2) Uani 1 1 d .
C34 C 0.2176(4) 0.5931(8) 0.7512(3) 0.055(2) Uani 1 1 d .
C35 C 0.1649(5) 0.5865(12) 0.7677(5) 0.087(4) Uani 1 1 d .
H35 H 0.1535 0.5103 0.7789 0.105 Uiso 1 1 calc R
C36 C 0.1315(6) 0.6910(13) 0.7672(5) 0.108(5) Uani 1 1 d .
H36 H 0.0978 0.6880 0.7794 0.129 Uiso 1 1 calc R
C37 C 0.1467(6) 0.8024(12) 0.7486(5) 0.095(4) Uani 1 1 d .
H37 H 0.1228 0.8740 0.7480 0.114 Uiso 1 1 calc R
C38 C 0.1973(5) 0.8098(9) 0.7307(4) 0.062(2) Uani 1 1 d .
C39 C 0.2314(4) 0.7045(8) 0.7325(3) 0.058(2) Uani 1 1 d .
H39 H 0.2653 0.7081 0.7205 0.070 Uiso 1 1 calc R
C40 C 0.2157(4) 0.9331(10) 0.7124(3) 0.057(2) Uani 1 1 d .
C41 C 0.3217(4) 0.7148(8) 0.8822(3) 0.059(2) Uani 1 1 d .
C42 C 0.3825(5) 0.7357(10) 0.8847(4) 0.074(3) Uani 1 1 d .
H42 H 0.4104 0.6692 0.8924 0.089 Uiso 1 1 calc R
C43 C 0.4022(5) 0.8553(10) 0.8756(5) 0.083(3) Uani 1 1 d .
H43 H 0.4436 0.8684 0.8789 0.100 Uiso 1 1 calc R
C44 C 0.3002(4) 0.5845(9) 0.8909(4) 0.059(2) Uani 1 1 d .
C45 C 0.3618(4) 0.9534(9) 0.8621(4) 0.067(3) Uani 1 1 d .
H45 H 0.3753 1.0325 0.8555 0.080 Uiso 1 1 calc R
C46 C 0.2807(4) 0.8156(8) 0.8687(3) 0.053(2) Uani 1 1 d .
H46 H 0.2396 0.8039 0.8668 0.063 Uiso 1 1 calc R
C47 C 0.3007(4) 0.9339(8) 0.8582(3) 0.049(2) Uani 1 1 d .
C48 C 0.2555(4) 1.0431(8) 0.8435(3) 0.048(2) Uani 1 1 d .
C49 C 0.5116(12) 0.191(2) 0.7030(12) 0.218(12) Uani 1 1 d .
H49A H 0.5060 0.2812 0.7008 0.327 Uiso 1 1 calc R
H49B H 0.4723 0.1503 0.6905 0.327 Uiso 1 1 calc R
H49C H 0.5373 0.1660 0.6828 0.327 Uiso 1 1 calc R
C50 C 0.594(2) 0.227(2) 0.7833(17) 0.33(3) Uani 1 1 d .
H50A H 0.6263 0.2168 0.7677 0.497 Uiso 1 1 calc R
H50B H 0.6086 0.1977 0.8177 0.497 Uiso 1 1 calc R
H50C H 0.5835 0.3149 0.7830 0.497 Uiso 1 1 calc R
C51 C 0.2788(15) 0.866(3) 0.9973(10) 0.266(17) Uani 1 1 d .
H51A H 0.2725 0.9297 0.9714 0.399 Uiso 1 1 calc R
H51B H 0.3198 0.8330 1.0049 0.399 Uiso 1 1 calc R
H51C H 0.2734 0.9034 1.0273 0.399 Uiso 1 1 calc R
C52 C 0.1683(11) 0.802(3) 0.9378(14) 0.29(2) Uani 1 1 d .
H52A H 0.1675 0.8900 0.9297 0.442 Uiso 1 1 calc R
H52B H 0.1355 0.7829 0.9517 0.442 Uiso 1 1 calc R
H52C H 0.1632 0.7529 0.9076 0.442 Uiso 1 1 calc R
Co1 Co 0.22256(5) 0.40889(11) 0.93438(4) 0.0507(3) Uani 1 1 d .
Co2 Co 0.14794(5) 0.19665(11) 0.85120(4) 0.0522(3) Uani 1 1 d .
Co3 Co 0.30114(5) 0.30956(10) 0.85825(4) 0.0473(3) Uani 1 1 d .
Co4 Co 0.21948(5) 0.20836(10) 0.74343(4) 0.0483(3) Uani 1 1 d .
Co5 Co 0.35253(6) 0.33924(13) 0.73145(5) 0.0631(4) Uani 1 1 d .
Co6 Co 0.71125(6) 0.58475(12) 0.83288(4) 0.0554(3) Uani 1 1 d .
H2A H 0.198(2) 0.386(4) 0.8447(16) 0.007(14) Uiso 1 1 d D
H27A H 0.323(2) 0.135(4) 0.7587(13) 0.006(14) Uiso 1 1 d D
N1 N 0.2349(10) 0.7666(16) 0.9798(9) 0.201(8) Uani 1 1 d .
H1A H 0.2272 0.7327 1.0070 0.242 Uiso 1 1 calc R
H1B H 0.2529 0.7061 0.9663 0.242 Uiso 1 1 calc R
N2 N 0.541(2) 0.155(3) 0.7556(12) 0.54(5) Uani 1 1 d .
H2B H 0.5127 0.1614 0.7721 0.654 Uiso 1 1 calc R
H2C H 0.5520 0.0737 0.7562 0.654 Uiso 1 1 calc R
O1 O 0.2191(3) 0.4948(7) 1.0023(2) 0.080(2) Uani 1 1 d .
O2 O 0.2162(2) 0.3287(5) 0.86560(19) 0.0470(13) Uani 1 1 d D
O3 O 0.0788(3) 0.1105(6) 0.7913(2) 0.0660(17) Uani 1 1 d .
O4 O 0.1394(3) 0.2314(6) 0.7631(2) 0.0560(15) Uani 1 1 d .
O5 O -0.0850(3) -0.1454(7) 0.6586(2) 0.0666(17) Uani 1 1 d .
O6 O -0.1357(3) -0.0226(7) 0.5923(2) 0.076(2) Uani 1 1 d .
O7 O 0.1904(3) 0.3073(6) 0.6747(2) 0.0656(17) Uani 1 1 d .
O8 O 0.2180(4) 0.1713(7) 0.6231(3) 0.096(3) Uani 1 1 d .
O9 O 0.1122(4) 0.3828(8) 0.4058(3) 0.097(3) Uani 1 1 d .
O10 O 0.1891(5) 0.2721(9) 0.4494(3) 0.106(3) Uani 1 1 d .
O11 O 0.3820(3) 0.2817(6) 0.8429(3) 0.0669(18) Uani 1 1 d .
O12 O 0.4254(4) 0.3654(12) 0.7888(3) 0.145(5) Uani 1 1 d .
O13 O 0.6932(3) 0.4934(11) 0.9079(4) 0.129(4) Uani 1 1 d .
O14 O 0.6279(4) 0.5265(8) 0.8339(4) 0.092(2) Uani 1 1 d .
O15 O 0.3367(3) 0.2142(5) 0.9244(2) 0.0566(15) Uani 1 1 d .
O16 O 0.3060(3) 0.3394(7) 0.9766(3) 0.082(2) Uani 1 1 d .
O17 O 0.2596(3) 0.5782(6) 0.9134(3) 0.0647(17) Uani 1 1 d .
O18 O 0.3253(3) 0.4936(5) 0.8771(2) 0.0593(16) Uani 1 1 d .
O19 O 0.2074(3) 1.0399(5) 0.8569(2) 0.0563(15) Uani 1 1 d .
O20 O 0.2702(3) 1.1335(5) 0.8188(2) 0.0482(13) Uani 1 1 d .
O21 O 0.2983(3) 0.4867(6) 0.7329(3) 0.0691(18) Uani 1 1 d .
O22 O 0.2490(3) 0.3824(5) 0.7784(2) 0.0523(14) Uani 1 1 d .
O23 O 0.2551(3) 0.9254(6) 0.6892(3) 0.0711(18) Uani 1 1 d .
O24 O 0.1895(3) 1.0324(6) 0.7201(2) 0.0608(16) Uani 1 1 d .
O25 O 0.3401(9) 0.1901(13) 1.1551(6) 0.183(9) Uani 1 1 d .
O26 O 0.4065(7) 0.0431(18) 1.1832(4) 0.203(7) Uani 1 1 d .
O27 O 0.3066(3) 0.1804(5) 0.7326(2) 0.0517(14) Uani 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'
O O 0.0106 0.0060 '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'
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
O7 C1 O8 127.0(9) . .
O7 C1 C2 118.6(9) . .
O8 C1 C2 114.3(9) . .
C8 C2 C3 119.9(9) . .
C8 C2 C1 121.5(8) . .
C3 C2 C1 118.6(9) . .
C4 C3 C2 120.4(9) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C6 120.0(8) . .
C3 C4 C5 118.9(9) . .
C6 C4 C5 121.1(9) . .
O9 C5 O10 120.0(10) . .
O9 C5 C4 122.5(12) . .
O10 C5 C4 117.5(10) . .
C4 C6 C7 120.5(8) . .
C4 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C6 C7 C8 119.8(9) . .
C6 C7 H7 120.1 . .
C8 C7 H7 120.1 . .
C7 C8 C2 119.2(9) . .
C7 C8 H8 120.4 . .
C2 C8 H8 120.4 . .
C14 C9 C10 119.0(11) . .
C14 C9 H9 120.5 . .
C10 C9 H9 120.5 . .
C9 C10 C11 122.5(10) . .
C9 C10 H10 118.8 . .
C11 C10 H10 118.7 . .
C10 C11 C12 118.8(8) . .
C10 C11 C16 120.5(9) . .
C12 C11 C16 120.6(8) . .
C13 C12 C11 118.4(8) . .
C13 C12 H12 120.8 . .
C11 C12 H12 120.8 . .
C12 C13 C14 119.6(8) . .
C12 C13 C15 120.0(8) . .
C14 C13 C15 120.4(8) . .
C9 C14 C13 121.7(10) . .
C9 C14 H14 119.1 . .
C13 C14 H14 119.1 . .
O5 C15 O6 129.4(9) . .
O5 C15 C13 117.2(8) . .
O6 C15 C13 113.4(8) . .
O3 C16 O4 118.8(8) . .
O3 C16 C11 119.7(8) . .
O4 C16 C11 121.5(9) . .
O15 C17 O16 126.8(9) . .
O15 C17 C18 117.5(9) . .
O16 C17 C18 115.7(8) . .
C22 C18 C19 119.8(9) . .
C22 C18 C17 121.0(9) . .
C19 C18 C17 119.0(8) . .
C20 C19 C18 120.6(10) . .
C20 C19 H19 119.7 . .
C18 C19 H19 119.7 . .
C21 C20 C19 119.0(12) . .
C21 C20 H20 120.5 . .
C19 C20 H20 120.5 . .
C20 C21 C23 120.4(11) . .
C20 C21 H21 119.8 . .
C23 C21 H21 119.8 . .
C23 C22 C18 120.0(11) . .
C23 C22 H22 120.0 . .
C18 C22 H22 120.0 . .
C22 C23 C21 120.2(11) . .
C22 C23 C24 113.7(16) . .
C21 C23 C24 126.2(16) . .
O25 C24 O26 121.3(13) . .
O25 C24 C23 132(2) . .
O26 C24 C23 107(2) . .
C26 C25 C30 120.5(10) . .
C26 C25 C31 121.3(9) . .
C30 C25 C31 118.2(10) . .
C25 C26 C27 123.4(10) . .
C25 C26 H26 118.3 . .
C27 C26 H26 118.3 . .
C28 C27 C26 116.2(10) . .
C28 C27 C32 126.0(10) . .
C26 C27 C32 117.8(10) . .
C27 C28 C29 122.2(10) . .
C27 C28 H28 118.9 . .
C29 C28 H28 118.9 . .
C30 C29 C28 120.7(11) . .
C30 C29 H29 119.6 . .
C28 C29 H29 119.6 . .
C29 C30 C25 117.0(11) . .
C29 C30 H30 121.5 . .
C25 C30 H30 121.5 . .
O11 C31 O12 123.2(10) . .
O11 C31 C25 123.3(10) . .
O12 C31 C25 113.0(10) . .
O13 C32 O14 121.9(11) . .
O13 C32 C27 118.8(14) . .
O14 C32 C27 119.3(10) . .
O21 C33 O22 121.4(9) . .
O21 C33 C34 117.8(8) . .
O22 C33 C34 120.9(8) . .
C39 C34 C35 118.9(9) . .
C39 C34 C33 120.8(8) . .
C35 C34 C33 120.3(9) . .
C36 C35 C34 119.5(11) . .
C36 C35 H35 120.2 . .
C34 C35 H35 120.2 . .
C35 C36 C37 120.3(11) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.8 . .
C36 C37 C38 120.9(11) . .
C36 C37 H37 119.5 . .
C38 C37 H37 119.5 . .
C39 C38 C37 118.1(10) . .
C39 C38 C40 120.8(9) . .
C37 C38 C40 121.0(9) . .
C38 C39 C34 122.1(9) . .
C38 C39 H39 118.9 . .
C34 C39 H39 118.9 . .
O23 C40 O24 126.2(9) . .
O23 C40 C38 115.6(9) . .
O24 C40 C38 118.1(8) . .
C42 C41 C46 118.0(9) . .
C42 C41 C44 120.5(8) . .
C46 C41 C44 121.4(9) . .
C41 C42 C43 120.7(10) . .
C41 C42 H42 119.7 . .
C43 C42 H42 119.7 . .
C45 C43 C42 121.0(10) . .
C45 C43 H43 119.5 . .
C42 C43 H43 119.5 . .
O18 C44 O17 125.9(9) . .
O18 C44 C41 117.4(9) . .
O17 C44 C41 116.6(9) . .
C43 C45 C47 119.2(9) . .
C43 C45 H45 120.4 . .
C47 C45 H45 120.4 . .
C41 C46 C47 120.6(8) . .
C41 C46 H46 119.7 . .
C47 C46 H46 119.7 . .
C45 C47 C46 120.3(8) . .
C45 C47 C48 119.5(8) . .
C46 C47 C48 120.1(8) . .
O19 C48 O20 124.9(8) . .
O19 C48 C47 118.6(7) . .
O20 C48 C47 116.5(8) . .
N2 C49 H49A 109.4 . .
N2 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
N2 C49 H49C 109.6 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
N2 C50 H50A 109.4 . .
N2 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
N2 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
N1 C51 H51A 109.5 . .
N1 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
N1 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
N1 C52 H52A 109.5 . .
N1 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
N1 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
O6 Co1 O16 167.0(3) 2_556 .
O6 Co1 O2 91.5(2) 2_556 .
O16 Co1 O2 99.9(2) . .
O6 Co1 O1 82.7(3) 2_556 .
O16 Co1 O1 85.8(3) . .
O2 Co1 O1 174.0(3) . .
O6 Co1 O17 91.3(3) 2_556 .
O16 Co1 O17 94.7(3) . .
O2 Co1 O17 91.0(2) . .
O1 Co1 O17 90.3(3) . .
O6 Co1 O10 91.4(3) 2_556 4_566
O16 Co1 O10 83.8(4) . 4_566
O2 Co1 O10 83.2(3) . 4_566
O1 Co1 O10 95.8(3) . 4_566
O17 Co1 O10 173.7(3) . 4_566
O2 Co2 O9 125.1(3) . 4_566
O2 Co2 O3 142.3(2) . .
O9 Co2 O3 91.8(3) 4_566 .
O2 Co2 O19 95.2(2) . 1_545
O9 Co2 O19 90.7(3) 4_566 1_545
O3 Co2 O19 91.6(3) . 1_545
O2 Co2 O5 86.1(2) . 2_556
O9 Co2 O5 90.7(3) 4_566 2_556
O3 Co2 O5 85.9(2) . 2_556
O19 Co2 O5 177.1(2) 1_545 2_556
O2 Co3 O15 95.2(2) . .
O2 Co3 O11 173.4(3) . .
O15 Co3 O11 88.8(3) . .
O2 Co3 O18 94.0(2) . .
O15 Co3 O18 103.9(2) . .
O11 Co3 O18 90.1(3) . .
O2 Co3 O20 87.9(2) . 1_545
O15 Co3 O20 90.3(2) . 1_545
O11 Co3 O20 86.9(2) . 1_545
O18 Co3 O20 165.4(2) . 1_545
O2 Co3 O22 80.4(2) . .
O15 Co3 O22 168.6(2) . .
O11 Co3 O22 94.8(3) . .
O18 Co3 O22 86.9(2) . .
O20 Co3 O22 79.1(2) 1_545 .
O24 Co4 O4 87.3(2) 1_545 .
O24 Co4 O7 100.9(3) 1_545 .
O4 Co4 O7 96.9(3) . .
O24 Co4 O22 171.1(2) 1_545 .
O4 Co4 O22 87.7(2) . .
O7 Co4 O22 87.0(2) . .
O24 Co4 O27 93.8(2) 1_545 .
O4 Co4 O27 173.2(2) . .
O7 Co4 O27 89.5(2) . .
O22 Co4 O27 90.3(2) . .
O24 Co4 O20 90.0(2) 1_545 1_545
O4 Co4 O20 92.5(2) . 1_545
O7 Co4 O20 166.0(2) . 1_545
O22 Co4 O20 83.0(2) . 1_545
O27 Co4 O20 80.8(2) . 1_545
O12 Co5 O27 115.6(3) . .
O12 Co5 O21 104.6(5) . .
O27 Co5 O21 109.2(3) . .
O12 Co5 O25 132.5(6) . 4_565
O27 Co5 O25 88.9(5) . 4_565
O21 Co5 O25 104.2(4) . 4_565
O8 Co6 O14 138.6(4) 2_656 .
O8 Co6 O27 103.3(3) 2_656 2_656
O14 Co6 O27 103.7(3) . 2_656
O8 Co6 O23 105.4(3) 2_656 2_646
O14 Co6 O23 101.2(3) . 2_646
O27 Co6 O23 98.0(3) 2_656 2_646
C51 N1 C52 118(2) . .
C51 N1 H1A 107.8 . .
C52 N1 H1A 107.8 . .
C51 N1 H1B 107.8 . .
C52 N1 H1B 107.8 . .
H1A N1 H1B 107.2 . .
C50 N2 C49 117(4) . .
C50 N2 H2B 108.1 . .
C49 N2 H2B 108.2 . .
C50 N2 H2C 108.1 . .
C49 N2 H2C 108.0 . .
H2B N2 H2C 107.3 . .
Co3 O2 Co2 127.6(3) . .
Co3 O2 Co1 109.7(3) . .
Co2 O2 Co1 107.4(3) . .
Co3 O2 H2A 106(4) . .
Co2 O2 H2A 100(4) . .
Co1 O2 H2A 103(4) . .
C16 O3 Co2 98.4(5) . .
C16 O4 Co4 131.7(6) . .
C15 O5 Co2 126.3(6) . 2_546
C15 O6 Co1 131.6(7) . 2_546
C1 O7 Co4 127.3(7) . .
C1 O8 Co6 127.8(6) . 2_646
C5 O9 Co2 106.0(8) . 4_565
C5 O10 Co1 148.5(9) . 4_565
C31 O11 Co3 142.0(8) . .
C31 O12 Co5 120.1(7) . .
C32 O14 Co6 100.5(7) . .
C17 O15 Co3 126.6(6) . .
C17 O16 Co1 127.5(6) . .
C44 O17 Co1 125.9(6) . .
C44 O18 Co3 134.8(6) . .
C48 O19 Co2 123.4(5) . 1_565
C48 O20 Co3 118.2(5) . 1_565
C48 O20 Co4 128.9(5) . 1_565
Co3 O20 Co4 99.4(2) 1_565 1_565
C33 O21 Co5 122.2(6) . .
C33 O22 Co4 124.3(5) . .
C33 O22 Co3 130.7(5) . .
Co4 O22 Co3 98.5(2) . .
C40 O23 Co6 119.7(6) . 2_656
C40 O24 Co4 133.8(6) . 1_565
C24 O25 Co5 103.6(18) . 4_566
Co5 O27 Co6 112.0(3) . 2_646
Co5 O27 Co4 113.9(3) . .
Co6 O27 Co4 105.0(3) 2_646 .
Co5 O27 H27A 113(4) . .
Co6 O27 H27A 114(4) 2_646 .
Co4 O27 H27A 98(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O7 1.237(11) .
C1 O8 1.274(12) .
C1 C2 1.527(13) .
C2 C8 1.384(12) .
C2 C3 1.390(12) .
C3 C4 1.363(12) .
C3 H3 0.9300 .
C4 C6 1.372(13) .
C4 C5 1.500(13) .
C5 O9 1.233(13) .
C5 O10 1.244(14) .
C6 C7 1.385(14) .
C6 H6 0.9300 .
C7 C8 1.388(13) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C14 1.344(15) .
C9 C10 1.355(16) .
C9 H9 0.9300 .
C10 C11 1.365(14) .
C10 H10 0.9300 .
C11 C12 1.415(12) .
C11 C16 1.491(12) .
C12 C13 1.383(11) .
C12 H12 0.9300 .
C13 C14 1.387(14) .
C13 C15 1.540(12) .
C14 H14 0.9300 .
C15 O5 1.236(11) .
C15 O6 1.262(11) .
C16 O3 1.274(11) .
C16 O4 1.274(10) .
C17 O15 1.236(10) .
C17 O16 1.254(11) .
C17 C18 1.515(13) .
C18 C22 1.383(12) .
C18 C19 1.392(13) .
C19 C20 1.384(14) .
C19 H19 0.9300 .
C20 C21 1.378(19) .
C20 H20 0.9300 .
C21 C23 1.398(19) .
C21 H21 0.9300 .
C22 C23 1.368(16) .
C22 H22 0.9300 .
C23 C24 1.547(19) .
C24 O25 1.06(3) .
C24 O26 1.39(3) .
C25 C26 1.346(12) .
C25 C30 1.432(14) .
C25 C31 1.508(13) .
C26 C27 1.391(13) .
C26 H26 0.9300 .
C27 C28 1.380(14) .
C27 C32 1.497(15) .
C28 C29 1.401(15) .
C28 H28 0.9300 .
C29 C30 1.375(15) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 O11 1.232(12) .
C31 O12 1.288(13) .
C32 O13 1.238(13) .
C32 O14 1.234(15) .
C33 O21 1.266(10) .
C33 O22 1.283(10) .
C33 C34 1.466(13) .
C34 C39 1.364(12) .
C34 C35 1.410(13) .
C35 C36 1.342(16) .
C35 H35 0.9300 .
C36 C37 1.374(15) .
C36 H36 0.9300 .
C37 C38 1.388(14) .
C37 H37 0.9300 .
C38 C39 1.351(12) .
C38 C40 1.506(13) .
C39 H39 0.9300 .
C40 O23 1.257(10) .
C40 O24 1.260(11) .
C41 C42 1.384(13) .
C41 C46 1.392(12) .
C41 C44 1.507(13) .
C42 C43 1.392(14) .
C42 H42 0.9300 .
C43 C45 1.362(13) .
C43 H43 0.9300 .
C44 O18 1.237(11) .
C44 O17 1.268(11) .
C45 C47 1.381(12) .
C45 H45 0.9300 .
C46 C47 1.394(11) .
C46 H46 0.9300 .
C47 C48 1.519(11) .
C48 O19 1.261(10) .
C48 O20 1.279(10) .
C49 N2 1.45(3) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 N2 1.44(5) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 N1 1.43(2) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 N1 1.65(3) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
Co1 O6 2.024(7) 2_556
Co1 O16 2.040(7) .
Co1 O2 2.049(5) .
Co1 O1 2.111(7) .
Co1 O17 2.136(7) .
Co1 O10 2.150(9) 4_566
Co2 O2 2.038(6) .
Co2 O9 2.099(8) 4_566
Co2 O3 2.114(6) .
Co2 O19 2.118(6) 1_545
Co2 O5 2.166(7) 2_556
Co3 O2 2.017(6) .
Co3 O15 2.030(5) .
Co3 O11 2.035(7) .
Co3 O18 2.050(6) .
Co3 O20 2.167(6) 1_545
Co3 O22 2.299(6) .
Co4 O24 2.022(6) 1_545
Co4 O4 2.072(6) .
Co4 O7 2.095(6) .
Co4 O22 2.095(5) .
Co4 O27 2.117(6) .
Co4 O20 2.201(5) 1_545
Co5 O12 1.934(8) .
Co5 O27 1.986(6) .
Co5 O21 1.999(7) .
Co5 O25 2.069(14) 4_565
Co6 O8 1.930(8) 2_656
Co6 O14 2.005(8) .
Co6 O27 2.007(6) 2_656
Co6 O23 2.024(7) 2_646
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N2 H2B 0.9000 .
N2 H2C 0.9000 .
O2 H2A 0.850(10) .
O5 Co2 2.166(7) 2_546
O6 Co1 2.024(7) 2_546
O8 Co6 1.930(7) 2_646
O9 Co2 2.099(8) 4_565
O10 Co1 2.150(9) 4_565
O19 Co2 2.118(6) 1_565
O20 Co3 2.167(6) 1_565
O20 Co4 2.201(5) 1_565
O23 Co6 2.024(7) 2_656
O24 Co4 2.022(6) 1_565
O25 Co5 2.069(14) 4_566
O27 Co6 2.007(6) 2_646
O27 H27A 0.849(10) .
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
O7 C1 C2 C8 -10.0(15) . .
O8 C1 C2 C8 167.3(10) . .
O7 C1 C2 C3 170.4(9) . .
O8 C1 C2 C3 -12.3(14) . .
C8 C2 C3 C4 -4.4(15) . .
C1 C2 C3 C4 175.3(9) . .
C2 C3 C4 C6 2.3(15) . .
C2 C3 C4 C5 -179.7(9) . .
C3 C4 C5 O9 173.3(10) . .
C6 C4 C5 O9 -8.8(17) . .
C3 C4 C5 O10 -8.9(16) . .
C6 C4 C5 O10 169.0(11) . .
C3 C4 C6 C7 1.1(17) . .
C5 C4 C6 C7 -176.8(10) . .
C4 C6 C7 C8 -2.4(18) . .
C6 C7 C8 C2 0.3(18) . .
C3 C2 C8 C7 3.1(16) . .
C1 C2 C8 C7 -176.6(10) . .
C14 C9 C10 C11 0(3) . .
C9 C10 C11 C12 2(2) . .
C9 C10 C11 C16 -176.5(15) . .
C10 C11 C12 C13 -2.6(16) . .
C16 C11 C12 C13 175.8(8) . .
C11 C12 C13 C14 1.3(15) . .
C11 C12 C13 C15 -176.0(9) . .
C10 C9 C14 C13 -2(3) . .
C12 C13 C14 C9 1(2) . .
C15 C13 C14 C9 178.0(15) . .
C12 C13 C15 O5 -22.8(14) . .
C14 C13 C15 O5 159.9(12) . .
C12 C13 C15 O6 155.6(9) . .
C14 C13 C15 O6 -21.7(15) . .
C10 C11 C16 O3 166.1(12) . .
C12 C11 C16 O3 -12.2(14) . .
C10 C11 C16 O4 -15.0(16) . .
C12 C11 C16 O4 166.7(9) . .
O15 C17 C18 C22 -165.5(9) . .
O16 C17 C18 C22 15.6(15) . .
O15 C17 C18 C19 8.4(14) . .
O16 C17 C18 C19 -170.5(10) . .
C22 C18 C19 C20 -3.1(17) . .
C17 C18 C19 C20 -177.0(11) . .
C18 C19 C20 C21 2(2) . .
C19 C20 C21 C23 -1(2) . .
C19 C18 C22 C23 2.9(16) . .
C17 C18 C22 C23 176.7(10) . .
C18 C22 C23 C21 -1.6(19) . .
C18 C22 C23 C24 178.9(10) . .
C20 C21 C23 C22 0(2) . .
C20 C21 C23 C24 179.9(13) . .
C22 C23 C24 O25 4(3) . .
C21 C23 C24 O25 -176(2) . .
C22 C23 C24 O26 -179.3(12) . .
C21 C23 C24 O26 1(2) . .
C30 C25 C26 C27 -0.4(17) . .
C31 C25 C26 C27 178.4(10) . .
C25 C26 C27 C28 -1.2(16) . .
C25 C26 C27 C32 179.8(10) . .
C26 C27 C28 C29 1.1(18) . .
C32 C27 C28 C29 180.0(12) . .
C27 C28 C29 C30 1(2) . .
C28 C29 C30 C25 -2(2) . .
C26 C25 C30 C29 2.2(18) . .
C31 C25 C30 C29 -176.6(12) . .
C26 C25 C31 O11 168.4(11) . .
C30 C25 C31 O11 -12.8(17) . .
C26 C25 C31 O12 -3.8(17) . .
C30 C25 C31 O12 175.0(12) . .
C28 C27 C32 O13 18.5(18) . .
C26 C27 C32 O13 -162.6(11) . .
C28 C27 C32 O14 -163.3(11) . .
C26 C27 C32 O14 15.6(16) . .
O21 C33 C34 C39 -10.9(13) . .
O22 C33 C34 C39 170.8(8) . .
O21 C33 C34 C35 169.8(9) . .
O22 C33 C34 C35 -8.6(13) . .
C39 C34 C35 C36 -3.6(17) . .
C33 C34 C35 C36 175.8(11) . .
C34 C35 C36 C37 3(2) . .
C35 C36 C37 C38 -1(2) . .
C36 C37 C38 C39 -0.5(19) . .
C36 C37 C38 C40 -177.4(12) . .
C37 C38 C39 C34 -0.2(15) . .
C40 C38 C39 C34 176.6(9) . .
C35 C34 C39 C38 2.2(15) . .
C33 C34 C39 C38 -177.1(9) . .
C39 C38 C40 O23 14.9(13) . .
C37 C38 C40 O23 -168.3(10) . .
C39 C38 C40 O24 -167.3(9) . .
C37 C38 C40 O24 9.5(14) . .
C46 C41 C42 C43 2.2(15) . .
C44 C41 C42 C43 178.6(10) . .
C41 C42 C43 C45 -2.8(18) . .
C42 C41 C44 O18 -32.7(13) . .
C46 C41 C44 O18 143.6(9) . .
C42 C41 C44 O17 144.6(9) . .
C46 C41 C44 O17 -39.1(12) . .
C42 C43 C45 C47 1.2(17) . .
C42 C41 C46 C47 -0.1(13) . .
C44 C41 C46 C47 -176.5(8) . .
C43 C45 C47 C46 0.9(15) . .
C43 C45 C47 C48 179.5(9) . .
C41 C46 C47 C45 -1.5(13) . .
C41 C46 C47 C48 179.9(8) . .
C45 C47 C48 O19 -155.1(8) . .
C46 C47 C48 O19 23.5(11) . .
C45 C47 C48 O20 23.6(11) . .
C46 C47 C48 O20 -157.8(7) . .
O15 Co3 O2 Co2 -79.1(3) . .
O11 Co3 O2 Co2 48(2) . .
O18 Co3 O2 Co2 176.5(3) . .
O20 Co3 O2 Co2 11.0(3) 1_545 .
O22 Co3 O2 Co2 90.3(3) . .
O15 Co3 O2 Co1 53.5(3) . .
O11 Co3 O2 Co1 -180(100) . .
O18 Co3 O2 Co1 -50.9(3) . .
O20 Co3 O2 Co1 143.6(3) 1_545 .
O22 Co3 O2 Co1 -137.0(3) . .
O9 Co2 O2 Co3 115.3(4) 4_566 .
O3 Co2 O2 Co3 -78.5(5) . .
O19 Co2 O2 Co3 20.8(4) 1_545 .
O5 Co2 O2 Co3 -156.6(3) 2_556 .
O9 Co2 O2 Co1 -18.2(4) 4_566 .
O3 Co2 O2 Co1 148.0(3) . .
O19 Co2 O2 Co1 -112.7(3) 1_545 .
O5 Co2 O2 Co1 69.9(3) 2_556 .
O6 Co1 O2 Co3 154.9(3) 2_556 .
O16 Co1 O2 Co3 -31.4(4) . .
O1 Co1 O2 Co3 166(3) . .
O17 Co1 O2 Co3 63.5(3) . .
O10 Co1 O2 Co3 -113.9(3) 4_566 .
O6 Co1 O2 Co2 -62.8(3) 2_556 .
O16 Co1 O2 Co2 110.9(3) . .
O1 Co1 O2 Co2 -52(3) . .
O17 Co1 O2 Co2 -154.2(3) . .
O10 Co1 O2 Co2 28.4(3) 4_566 .
O4 C16 O3 Co2 8.1(10) . .
C11 C16 O3 Co2 -172.9(7) . .
O2 Co2 O3 C16 3.9(8) . .
O9 Co2 O3 C16 172.6(6) 4_566 .
O19 Co2 O3 C16 -96.7(6) 1_545 .
O5 Co2 O3 C16 82.0(6) 2_556 .
O3 C16 O4 Co4 113.7(9) . .
C11 C16 O4 Co4 -65.3(12) . .
O24 Co4 O4 C16 -9.9(8) 1_545 .
O7 Co4 O4 C16 90.8(8) . .
O22 Co4 O4 C16 177.5(8) . .
O27 Co4 O4 C16 -110(2) . .
O20 Co4 O4 C16 -99.7(8) 1_545 .
O6 C15 O5 Co2 6.9(16) . 2_546
C13 C15 O5 Co2 -175.0(6) . 2_546
O5 C15 O6 Co1 10.2(18) . 2_546
C13 C15 O6 Co1 -168.0(6) . 2_546
O8 C1 O7 Co4 -8.5(16) . .
C2 C1 O7 Co4 168.4(6) . .
O24 Co4 O7 C1 -40.0(9) 1_545 .
O4 Co4 O7 C1 -128.6(8) . .
O22 Co4 O7 C1 144.1(9) . .
O27 Co4 O7 C1 53.8(8) . .
O20 Co4 O7 C1 99.8(12) 1_545 .
O7 C1 O8 Co6 -28.4(18) . 2_646
C2 C1 O8 Co6 154.5(7) . 2_646
O10 C5 O9 Co2 2.6(14) . 4_565
C4 C5 O9 Co2 -179.7(8) . 4_565
O9 C5 O10 Co1 -71(2) . 4_565
C4 C5 O10 Co1 111.1(14) . 4_565
O12 C31 O11 Co3 -92.8(16) . .
C25 C31 O11 Co3 95.8(14) . .
O2 Co3 O11 C31 111(2) . .
O15 Co3 O11 C31 -121.4(11) . .
O18 Co3 O11 C31 -17.4(11) . .
O20 Co3 O11 C31 148.2(11) 1_545 .
O22 Co3 O11 C31 69.4(11) . .
O11 C31 O12 Co5 10.1(19) . .
C25 C31 O12 Co5 -177.6(8) . .
O27 Co5 O12 C31 -41.9(13) . .
O21 Co5 O12 C31 78.2(12) . .
O25 Co5 O12 C31 -156.2(10) 4_565 .
O13 C32 O14 Co6 -4.6(14) . .
C27 C32 O14 Co6 177.2(8) . .
O8 Co6 O14 C32 -37.2(10) 2_656 .
O27 Co6 O14 C32 -166.5(7) 2_656 .
O23 Co6 O14 C32 92.3(8) 2_646 .
O16 C17 O15 Co3 4.7(15) . .
C18 C17 O15 Co3 -174.1(6) . .
O2 Co3 O15 C17 -51.2(8) . .
O11 Co3 O15 C17 134.0(8) . .
O18 Co3 O15 C17 44.2(8) . .
O20 Co3 O15 C17 -139.1(8) 1_545 .
O22 Co3 O15 C17 -117.6(12) . .
O15 C17 O16 Co1 37.8(16) . .
C18 C17 O16 Co1 -143.4(7) . .
O6 Co1 O16 C17 131.8(13) 2_556 .
O2 Co1 O16 C17 -19.0(10) . .
O1 Co1 O16 C17 159.3(10) . .
O17 Co1 O16 C17 -110.8(9) . .
O10 Co1 O16 C17 63.0(10) 4_566 .
O18 C44 O17 Co1 0.0(13) . .
C41 C44 O17 Co1 -177.1(5) . .
O6 Co1 O17 C44 -134.6(7) 2_556 .
O16 Co1 O17 C44 56.9(7) . .
O2 Co1 O17 C44 -43.1(7) . .
O1 Co1 O17 C44 142.8(7) . .
O10 Co1 O17 C44 -19(3) 4_566 .
O17 C44 O18 Co3 25.7(14) . .
C41 C44 O18 Co3 -157.2(6) . .
O2 Co3 O18 C44 3.5(9) . .
O15 Co3 O18 C44 -92.9(9) . .
O11 Co3 O18 C44 178.3(9) . .
O20 Co3 O18 C44 100.6(12) 1_545 .
O22 Co3 O18 C44 83.6(9) . .
O20 C48 O19 Co2 -9.7(11) . 1_565
C47 C48 O19 Co2 168.8(5) . 1_565
O19 C48 O20 Co3 72.4(9) . 1_565
C47 C48 O20 Co3 -106.2(7) . 1_565
O19 C48 O20 Co4 -59.8(10) . 1_565
C47 C48 O20 Co4 121.7(6) . 1_565
O22 C33 O21 Co5 1.6(11) . .
C34 C33 O21 Co5 -176.7(6) . .
O12 Co5 O21 C33 -93.8(7) . .
O27 Co5 O21 C33 30.6(7) . .
O25 Co5 O21 C33 124.4(9) 4_565 .
O21 C33 O22 Co4 -64.8(10) . .
C34 C33 O22 Co4 113.5(8) . .
O21 C33 O22 Co3 80.5(10) . .
C34 C33 O22 Co3 -101.2(9) . .
O24 Co4 O22 C33 -169.5(15) 1_545 .
O4 Co4 O22 C33 -114.0(7) . .
O7 Co4 O22 C33 -17.0(7) . .
O27 Co4 O22 C33 72.5(7) . .
O20 Co4 O22 C33 153.2(7) 1_545 .
O24 Co4 O22 Co3 36.3(18) 1_545 .
O4 Co4 O22 Co3 91.8(2) . .
O7 Co4 O22 Co3 -171.2(3) . .
O27 Co4 O22 Co3 -81.6(2) . .
O20 Co4 O22 Co3 -1.0(2) 1_545 .
O2 Co3 O22 C33 119.7(8) . .
O15 Co3 O22 C33 -172.6(11) . .
O11 Co3 O22 C33 -64.8(8) . .
O18 Co3 O22 C33 25.1(8) . .
O20 Co3 O22 C33 -150.6(8) 1_545 .
O2 Co3 O22 Co4 -88.7(3) . .
O15 Co3 O22 Co4 -21.0(13) . .
O11 Co3 O22 Co4 86.9(3) . .
O18 Co3 O22 Co4 176.7(3) . .
O20 Co3 O22 Co4 1.0(2) 1_545 .
O24 C40 O23 Co6 6.9(13) . 2_656
C38 C40 O23 Co6 -175.4(6) . 2_656
O23 C40 O24 Co4 -45.2(13) . 1_565
C38 C40 O24 Co4 137.2(7) . 1_565
O26 C24 O25 Co5 5(2) . 4_566
C23 C24 O25 Co5 -178.5(15) . 4_566
O12 Co5 O27 Co6 -130.0(5) . 2_646
O21 Co5 O27 Co6 112.3(3) . 2_646
O25 Co5 O27 Co6 7.7(5) 4_565 2_646
O12 Co5 O27 Co4 111.0(5) . .
O21 Co5 O27 Co4 -6.6(4) . .
O25 Co5 O27 Co4 -111.3(5) 4_565 .
O24 Co4 O27 Co5 164.0(3) 1_545 .
O4 Co4 O27 Co5 -97(2) . .
O7 Co4 O27 Co5 63.2(3) . .
O22 Co4 O27 Co5 -23.9(3) . .
O20 Co4 O27 Co5 -106.7(3) 1_545 .
O24 Co4 O27 Co6 41.1(3) 1_545 2_646
O4 Co4 O27 Co6 140.4(19) . 2_646
O7 Co4 O27 Co6 -59.8(3) . 2_646
O22 Co4 O27 Co6 -146.8(3) . 2_646
O20 Co4 O27 Co6 130.4(3) 1_545 2_646
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 -0.500 0.000 469.6 46.7
2 0.560 -0.030 0.208 18.9 5.1
3 1.000 0.000 0.500 469.5 46.3
4 0.439 0.030 0.792 18.9 5.4
5 0.482 0.179 0.558 8.3 0.8
6 0.482 0.320 0.058 8.4 0.8
7 0.439 0.470 0.292 18.9 5.1
8 0.560 0.530 0.708 18.9 5.0
9 0.518 0.679 0.942 8.3 0.8
10 0.518 0.820 0.442 8.4 0.9
