#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:22:12 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179627 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/91/4509117.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_4509117
loop_
_publ_author_name
'Luo, Feng'
'Che, Yun-xia'
'Zheng, Ji-min'
_publ_section_title
;
 Trinuclear Cobalt Based Porous Coordination Polymers Showing Unique
 Topological and Magnetic Variety upon Different Dicarboxylate-like
 Ligands
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1066
_journal_paper_doi               10.1021/cg800895g
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C36 H34 Co3 N2 O17'
_chemical_formula_weight         943.458
_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                 119.57(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.586(2)
_cell_length_b                   14.543(3)
_cell_length_c                   13.117(6)
_cell_measurement_reflns_used    14804
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.12
_cell_volume                     1922.3(11)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0492
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18567
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.12
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    1.358
_exptl_absorpt_correction_T_max  0.9254
_exptl_absorpt_correction_T_min  0.6291
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blcok
_exptl_crystal_F_000             958
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         4396
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0276P)²+1.2853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0773
_reflns_number_gt                3683
_reflns_number_total             4396
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800895gsup1.cif
_cod_data_source_block           1
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_cell_volume        1922.3(10)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4509117
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 -0.0909(2) 0.33652(13) 0.27216(19) 0.0222(4) Uani 1 1 d .
H1 H -0.0109 0.3348 0.2717 0.027 Uiso 1 1 calc R
C2 C -0.1574(2) 0.47116(13) 0.13606(18) 0.0208(4) Uani 1 1 d .
C3 C -0.3024(2) 0.40696(13) 0.21169(19) 0.0242(4) Uani 1 1 d .
H3 H -0.3653 0.4517 0.1690 0.029 Uiso 1 1 calc R
C4 C 0.4428(2) -0.09949(14) 0.8157(2) 0.0289(5) Uani 1 1 d .
H4 H 0.4935 -0.0988 0.7785 0.035 Uiso 1 1 calc R
C5 C -0.2345(2) 0.27613(14) 0.33983(19) 0.0243(4) Uani 1 1 d .
H5 H -0.2518 0.2331 0.3830 0.029 Uiso 1 1 calc R
C6 C -0.1846(2) 0.40338(12) 0.20815(18) 0.0204(4) Uani 1 1 d .
C7 C 0.3059(2) 0.02504(14) 0.68064(19) 0.0262(5) Uani 1 1 d .
C8 C -0.1164(2) 0.27209(13) 0.33699(18) 0.0203(4) Uani 1 1 d .
C9 C 0.8616(4) 0.7778(3) 0.7951(3) 0.0759(11) Uani 1 1 d .
H9A H 0.9381 0.8037 0.7958 0.114 Uiso 1 1 calc R
H9B H 0.8122 0.7420 0.7251 0.114 Uiso 1 1 calc R
H9C H 0.8894 0.7390 0.8625 0.114 Uiso 1 1 calc R
C10 C 0.8448(5) 0.9124(2) 0.9010(3) 0.0868(13) Uani 1 1 d .
H10A H 0.8730 0.8769 0.9710 0.130 Uiso 1 1 calc R
H10B H 0.7846 0.9595 0.8968 0.130 Uiso 1 1 calc R
H10C H 0.9206 0.9402 0.9022 0.130 Uiso 1 1 calc R
C11 C -0.3266(2) 0.34430(14) 0.2784(2) 0.0268(5) Uani 1 1 d .
H11 H -0.4046 0.3479 0.2820 0.032 Uiso 1 1 calc R
C12 C 0.5774(2) -0.23302(15) 0.9346(2) 0.0305(5) Uani 1 1 d .
C13 C -0.0170(2) 0.19783(13) 0.40286(17) 0.0202(4) Uani 1 1 d .
C14 C 0.3373(2) -0.03859(14) 0.7800(2) 0.0277(5) Uani 1 1 d .
C15 C 0.4734(2) -0.16130(15) 0.9061(2) 0.0315(5) Uani 1 1 d .
C16 C 0.2945(3) -0.0989(2) 0.9276(3) 0.0620(10) Uani 1 1 d .
H16 H 0.2455 -0.0981 0.9664 0.074 Uiso 1 1 calc R
C17 C 0.2624(3) -0.03955(18) 0.8356(2) 0.0445(7) Uani 1 1 d .
H17 H 0.1903 -0.0001 0.8109 0.053 Uiso 1 1 calc R
C18 C 0.3997(3) -0.16002(19) 0.9627(3) 0.0495(7) Uani 1 1 d .
H18 H 0.4205 -0.2002 1.0246 0.059 Uiso 1 1 calc R
Co1 Co 0.26245(3) 0.136074(17) 0.51884(2) 0.02068(9) Uani 1 1 d .
Co2 Co 0.0000 0.0000 0.5000 0.01621(9) Uani 1 2 d S
N1 N 0.7774(3) 0.85196(16) 0.7980(2) 0.0521(6) Uani 1 1 d .
H1A H 0.7058 0.8270 0.7970 0.063 Uiso 1 1 calc R
H1B H 0.7486 0.8862 0.7328 0.063 Uiso 1 1 calc R
O1 O 0.10250(15) 0.21626(10) 0.43430(14) 0.0276(3) Uani 1 1 d .
O2 O -0.06027(15) 0.12532(9) 0.42216(14) 0.0306(4) Uani 1 1 d .
O3 O 0.19003(14) 0.05814(9) 0.62019(13) 0.0251(3) Uani 1 1 d .
O4 O 0.39444(16) 0.04818(12) 0.65792(16) 0.0399(4) Uani 1 1 d .
O5 O -0.06900(16) 0.45327(10) 0.11207(15) 0.0323(4) Uani 1 1 d .
O6 O -0.22683(17) 0.54374(10) 0.10759(15) 0.0347(4) Uani 1 1 d .
O7 O 0.62964(17) -0.24244(11) 0.87087(15) 0.0369(4) Uani 1 1 d .
O8 O 0.60976(17) -0.28639(11) 1.02025(16) 0.0387(4) Uani 1 1 d .
O9 O 0.4856(8) 0.6142(5) 0.1041(6) 0.120(2) Uani 0.50 1 d P
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
C6 C1 C8 120.16(19) . .
C6 C1 H1 119.9 . .
C8 C1 H1 119.9 . .
O5 C2 O6 125.76(18) . .
O5 C2 C6 118.58(17) . .
O6 C2 C6 115.64(18) . .
C11 C3 C6 120.35(19) . .
C11 C3 H3 119.8 . .
C6 C3 H3 119.8 . .
C15 C4 C14 120.8(2) . .
C15 C4 H4 119.6 . .
C14 C4 H4 119.6 . .
C11 C5 C8 120.05(19) . .
C11 C5 H5 120.0 . .
C8 C5 H5 120.0 . .
C3 C6 C1 119.59(18) . .
C3 C6 C2 120.71(17) . .
C1 C6 C2 119.70(18) . .
O4 C7 O3 119.3(2) . .
O4 C7 C14 120.2(2) . .
O3 C7 C14 120.5(2) . .
O4 C7 Co1 58.03(12) . .
O3 C7 Co1 61.28(11) . .
C14 C7 Co1 177.47(16) . .
C5 C8 C1 119.81(18) . .
C5 C8 C13 120.07(18) . .
C1 C8 C13 120.11(18) . .
N1 C9 H9A 109.5 . .
N1 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N1 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N1 C10 H10A 109.5 . .
N1 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N1 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C3 C11 C5 120.0(2) . .
C3 C11 H11 120.0 . .
C5 C11 H11 120.0 . .
O7 C12 O8 119.7(2) . .
O7 C12 C15 120.2(2) . .
O8 C12 C15 120.1(2) . .
O7 C12 Co1 62.58(11) . 2_646
O8 C12 Co1 57.18(11) . 2_646
C15 C12 Co1 174.97(17) . 2_646
O2 C13 O1 126.85(18) . .
O2 C13 C8 116.97(18) . .
O1 C13 C8 116.17(17) . .
C17 C14 C4 119.5(2) . .
C17 C14 C7 121.5(2) . .
C4 C14 C7 119.0(2) . .
C18 C15 C4 119.1(2) . .
C18 C15 C12 120.7(2) . .
C4 C15 C12 120.0(2) . .
C17 C16 C18 120.3(3) . .
C17 C16 H16 119.9 . .
C18 C16 H16 119.9 . .
C16 C17 C14 120.0(2) . .
C16 C17 H17 120.0 . .
C14 C17 H17 120.0 . .
C15 C18 C16 120.3(2) . .
C15 C18 H18 119.9 . .
C16 C18 H18 119.9 . .
O1 Co1 O6 100.09(7) . 2_545
O1 Co1 O8 97.05(7) . 2_656
O6 Co1 O8 92.25(7) 2_545 2_656
O1 Co1 O4 154.35(7) . .
O6 Co1 O4 94.23(8) 2_545 .
O8 Co1 O4 103.57(7) 2_656 .
O1 Co1 O3 96.32(6) . .
O6 Co1 O3 99.77(6) 2_545 .
O8 Co1 O3 160.16(6) 2_656 .
O4 Co1 O3 60.09(6) . .
O1 Co1 O7 88.12(7) . 2_656
O6 Co1 O7 152.01(6) 2_545 2_656
O8 Co1 O7 60.04(7) 2_656 2_656
O4 Co1 O7 89.09(7) . 2_656
O3 Co1 O7 105.90(6) . 2_656
O1 Co1 C7 126.03(7) . .
O6 Co1 C7 98.13(7) 2_545 .
O8 Co1 C7 132.44(7) 2_656 .
O4 Co1 C7 29.74(7) . .
O3 Co1 C7 30.35(6) . .
O7 Co1 C7 98.42(7) 2_656 .
O1 Co1 C12 93.67(7) . 2_656
O6 Co1 C12 122.13(7) 2_545 2_656
O8 Co1 C12 30.04(7) 2_656 2_656
O4 Co1 C12 96.57(7) . 2_656
O3 Co1 C12 134.27(7) . 2_656
O7 Co1 C12 30.01(7) 2_656 2_656
C7 Co1 C12 117.73(8) . 2_656
O2 Co2 O2 180.0 . 3_556
O2 Co2 O5 84.64(7) . 4_566
O2 Co2 O5 95.36(7) 3_556 4_566
O2 Co2 O5 95.36(7) . 2_545
O2 Co2 O5 84.64(7) 3_556 2_545
O5 Co2 O5 180.00(5) 4_566 2_545
O2 Co2 O3 89.39(6) . .
O2 Co2 O3 90.61(6) 3_556 .
O5 Co2 O3 88.01(6) 4_566 .
O5 Co2 O3 91.99(6) 2_545 .
O2 Co2 O3 90.61(6) . 3_556
O2 Co2 O3 89.39(6) 3_556 3_556
O5 Co2 O3 91.99(6) 4_566 3_556
O5 Co2 O3 88.01(6) 2_545 3_556
O3 Co2 O3 180.00(7) . 3_556
C9 N1 C10 113.9(3) . .
C9 N1 H1A 108.8 . .
C10 N1 H1A 108.8 . .
C9 N1 H1B 108.8 . .
C10 N1 H1B 108.8 . .
H1A N1 H1B 107.7 . .
C13 O1 Co1 128.61(13) . .
C13 O2 Co2 141.82(15) . .
C7 O3 Co2 133.91(13) . .
C7 O3 Co1 88.37(13) . .
Co2 O3 Co1 108.47(7) . .
C7 O4 Co1 92.23(13) . .
C2 O5 Co2 139.21(14) . 2
C2 O6 Co1 129.90(14) . 2
C12 O7 Co1 87.41(13) . 2_646
C12 O8 Co1 92.78(14) . 2_646
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.389(3) .
C1 C8 1.391(3) .
C1 H1 0.9300 .
C2 O5 1.239(3) .
C2 O6 1.266(2) .
C2 C6 1.503(3) .
C3 C11 1.385(3) .
C3 C6 1.389(3) .
C3 H3 0.9300 .
C4 C15 1.388(3) .
C4 C14 1.391(3) .
C4 H4 0.9300 .
C5 C11 1.387(3) .
C5 C8 1.388(3) .
C5 H5 0.9300 .
C7 O4 1.247(3) .
C7 O3 1.270(3) .
C7 C14 1.489(3) .
C7 Co1 2.512(2) .
C8 C13 1.503(3) .
C9 N1 1.467(4) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 N1 1.472(4) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11 0.9300 .
C12 O7 1.259(3) .
C12 O8 1.260(3) .
C12 C15 1.495(3) .
C12 Co1 2.515(2) 2_646
C13 O2 1.246(2) .
C13 O1 1.263(2) .
C14 C17 1.383(3) .
C15 C18 1.380(4) .
C16 C17 1.377(4) .
C16 C18 1.391(4) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 H18 0.9300 .
Co1 O1 1.9989(15) .
Co1 O6 2.0121(16) 2_545
Co1 O8 2.1157(17) 2_656
Co1 O4 2.1325(18) .
Co1 O3 2.2038(16) .
Co1 O7 2.2343(17) 2_656
Co1 C12 2.515(2) 2_656
Co2 O2 2.0367(14) .
Co2 O2 2.0367(14) 3_556
Co2 O5 2.1028(16) 4_566
Co2 O5 2.1028(16) 2_545
Co2 O3 2.1499(16) .
Co2 O3 2.1499(16) 3_556
N1 H1A 0.9000 .
N1 H1B 0.9000 .
O5 Co2 2.1028(16) 2
O6 Co1 2.0121(16) 2
O7 Co1 2.2343(17) 2_646
O8 Co1 2.1157(17) 2_646
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
C11 C3 C6 C1 -0.1(3) . .
C11 C3 C6 C2 -179.96(19) . .
C8 C1 C6 C3 1.7(3) . .
C8 C1 C6 C2 -178.48(18) . .
O5 C2 C6 C3 -162.8(2) . .
O6 C2 C6 C3 18.9(3) . .
O5 C2 C6 C1 17.3(3) . .
O6 C2 C6 C1 -161.0(2) . .
C11 C5 C8 C1 -0.1(3) . .
C11 C5 C8 C13 -179.56(19) . .
C6 C1 C8 C5 -1.6(3) . .
C6 C1 C8 C13 177.90(18) . .
C6 C3 C11 C5 -1.6(3) . .
C8 C5 C11 C3 1.7(3) . .
C5 C8 C13 O2 25.2(3) . .
C1 C8 C13 O2 -154.3(2) . .
C5 C8 C13 O1 -153.9(2) . .
C1 C8 C13 O1 26.7(3) . .
C15 C4 C14 C17 0.2(4) . .
C15 C4 C14 C7 -178.6(2) . .
O4 C7 C14 C17 155.5(2) . .
O3 C7 C14 C17 -22.7(3) . .
Co1 C7 C14 C17 112(4) . .
O4 C7 C14 C4 -25.8(3) . .
O3 C7 C14 C4 156.1(2) . .
Co1 C7 C14 C4 -69(4) . .
C14 C4 C15 C18 -1.7(4) . .
C14 C4 C15 C12 173.3(2) . .
O7 C12 C15 C18 169.1(3) . .
O8 C12 C15 C18 -8.4(4) . .
Co1 C12 C15 C18 47(2) 2_646 .
O7 C12 C15 C4 -5.8(3) . .
O8 C12 C15 C4 176.6(2) . .
Co1 C12 C15 C4 -128(2) 2_646 .
C18 C16 C17 C14 -1.9(5) . .
C4 C14 C17 C16 1.6(4) . .
C7 C14 C17 C16 -179.6(3) . .
C4 C15 C18 C16 1.4(4) . .
C12 C15 C18 C16 -173.6(3) . .
C17 C16 C18 C15 0.4(5) . .
O4 C7 Co1 O1 -166.89(13) . .
O3 C7 Co1 O1 13.36(15) . .
C14 C7 Co1 O1 -122(4) . .
O4 C7 Co1 O6 84.28(14) . 2_545
O3 C7 Co1 O6 -95.47(12) . 2_545
C14 C7 Co1 O6 129(4) . 2_545
O4 C7 Co1 O8 -16.35(18) . 2_656
O3 C7 Co1 O8 163.90(11) . 2_656
C14 C7 Co1 O8 28(4) . 2_656
O3 C7 Co1 O4 -179.8(2) . .
C14 C7 Co1 O4 44(4) . .
O4 C7 Co1 O3 179.8(2) . .
C14 C7 Co1 O3 -136(4) . .
O4 C7 Co1 O7 -73.06(14) . 2_656
O3 C7 Co1 O7 107.19(12) . 2_656
C14 C7 Co1 O7 -29(4) . 2_656
O4 C7 Co1 C12 -48.73(16) . 2_656
O3 C7 Co1 C12 131.52(12) . 2_656
C14 C7 Co1 C12 -4(4) . 2_656
O2 C13 O1 Co1 2.9(3) . .
C8 C13 O1 Co1 -178.22(13) . .
O6 Co1 O1 C13 69.75(18) 2_545 .
O8 Co1 O1 C13 163.32(17) 2_656 .
O4 Co1 O1 C13 -53.2(3) . .
O3 Co1 O1 C13 -31.38(18) . .
O7 Co1 O1 C13 -137.18(18) 2_656 .
C7 Co1 O1 C13 -38.1(2) . .
C12 Co1 O1 C13 -166.69(18) 2_656 .
O1 C13 O2 Co2 -0.5(4) . .
C8 C13 O2 Co2 -179.37(16) . .
O2 Co2 O2 C13 -114(100) 3_556 .
O5 Co2 O2 C13 116.2(2) 4_566 .
O5 Co2 O2 C13 -63.8(2) 2_545 .
O3 Co2 O2 C13 28.2(2) . .
O3 Co2 O2 C13 -151.8(2) 3_556 .
O4 C7 O3 Co2 114.1(2) . .
C14 C7 O3 Co2 -67.7(3) . .
Co1 C7 O3 Co2 114.36(17) . .
O4 C7 O3 Co1 -0.2(2) . .
C14 C7 O3 Co1 177.96(18) . .
O2 Co2 O3 C7 -155.4(2) . .
O2 Co2 O3 C7 24.6(2) 3_556 .
O5 Co2 O3 C7 120.0(2) 4_566 .
O5 Co2 O3 C7 -60.0(2) 2_545 .
O3 Co2 O3 C7 -10(100) 3_556 .
O2 Co2 O3 Co1 -49.11(7) . .
O2 Co2 O3 Co1 130.89(7) 3_556 .
O5 Co2 O3 Co1 -133.77(7) 4_566 .
O5 Co2 O3 Co1 46.23(7) 2_545 .
O3 Co2 O3 Co1 96(100) 3_556 .
O1 Co1 O3 C7 -169.16(12) . .
O6 Co1 O3 C7 89.42(13) 2_545 .
O8 Co1 O3 C7 -37.1(2) 2_656 .
O4 Co1 O3 C7 0.14(12) . .
O7 Co1 O3 C7 -79.32(13) 2_656 .
C12 Co1 O3 C7 -67.75(15) 2_656 .
O1 Co1 O3 Co2 54.62(7) . .
O6 Co1 O3 Co2 -46.79(8) 2_545 .
O8 Co1 O3 Co2 -173.29(14) 2_656 .
O4 Co1 O3 Co2 -136.07(9) . .
O7 Co1 O3 Co2 144.47(7) 2_656 .
C7 Co1 O3 Co2 -136.21(14) . .
C12 Co1 O3 Co2 156.04(8) 2_656 .
O3 C7 O4 Co1 0.3(2) . .
C14 C7 O4 Co1 -177.96(17) . .
O1 Co1 O4 C7 25.1(2) . .
O6 Co1 O4 C7 -98.99(14) 2_545 .
O8 Co1 O4 C7 167.66(13) 2_656 .
O3 Co1 O4 C7 -0.15(12) . .
O7 Co1 O4 C7 108.84(14) 2_656 .
C12 Co1 O4 C7 137.96(14) 2_656 .
O6 C2 O5 Co2 -14.6(4) . 2
C6 C2 O5 Co2 167.26(16) . 2
O5 C2 O6 Co1 19.9(3) . 2
C6 C2 O6 Co1 -161.89(14) . 2
O8 C12 O7 Co1 2.4(2) . 2_646
C15 C12 O7 Co1 -175.2(2) . 2_646
O7 C12 O8 Co1 -2.5(2) . 2_646
C15 C12 O8 Co1 175.05(19) . 2_646
