#------------------------------------------------------------------------------
#$Date: 2016-02-19 23:18:51 +0100 (vie 19 de feb de 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/94/2019427.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_2019427
loop_
_publ_author_name
'Kenfack Tsobnang, Patrice'
'Wenger, Emmanuel'
'Ponou, Siméon'
'Dahaoui, Slimane'
'Lambi Ngolui, John'
'Lecomte, Claude'
_publ_section_title
;
 A new heteroleptic oxalate-based compound:
 poly[[2-(aminomethyl)pyridine]di-μ₆-oxalato-chromium(III)potassium(I)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              12
_journal_page_last               15
_journal_paper_doi               10.1107/S205322961303088X
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[K Cr (C2 O2)2 (C6 H8 N2)]'
_chemical_formula_moiety         'C10 H8 Cr K N2 O8'
_chemical_formula_sum            'C10 H8 Cr K N2 O8'
_chemical_formula_weight         375.28
_chemical_name_systematic
;
Poly[[2-(aminomethyl)pyridine]di-μ₆-oxalato-chromium(III)potassium(I)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 125.860(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.1492(9)
_cell_length_b                   14.8618(9)
_cell_length_c                   13.1617(11)
_cell_measurement_reflns_used    24083
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      37.9199
_cell_measurement_theta_min      1.9031
_cell_volume                     2560.1(3)
_computing_cell_refinement       'APEX2 (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_data_reduction
'CrysAlis PRO (Agilent, 2011) [should this be SAINT (Bruker, 2013)?]'
_computing_molecular_graphics
;
DIAMOND for Windows (Brandenburg, 2004) and
Mercury for Windows (Macrae et al.,2006)
;
_computing_publication_material  'enCIFer (CCDC, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker D8 Venture Photon'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            34973
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    1.265
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.81212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO, Agilent, 2011)
[should this be SADABS (Bruker, 2013)?]
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.947
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.054
_refine_diff_density_min         -0.578
_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     205
_refine_ls_number_reflns         2946
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_gt           0.034
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0477P)²+7.8680P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.091
_reflns_number_gt                2509
_reflns_number_total             2946
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            qs3032sup1.cf
_cod_data_source_block           I
_cod_database_code               2019427
_cod_database_fobs_code          2019427
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
O O8 0.48117(12) -0.10115(11) 0.50331(15) 0.0171(3) Uani d . 1
C C9 0.13466(16) -0.15904(15) 0.3975(2) 0.0136(4) Uani d . 1
C C3 0.35158(17) -0.03829(15) 0.2989(2) 0.0138(4) Uani d . 1
C C2 0.15060(18) 0.18038(16) 0.2854(2) 0.0161(5) Uani d . 1
C C1 0.05519(17) 0.12413(16) 0.1862(2) 0.0157(5) Uani d . 1
C C5 0.17175(17) -0.19486(16) 0.2562(2) 0.0159(4) Uani d . 1
H H5 0.1918 -0.1763 0.2046 0.019 Uiso calc R 1
C C10 0.12408(18) -0.08675(16) 0.4695(2) 0.0164(5) Uani d . 1
H H10A 0.0509 -0.0783 0.4332 0.02 Uiso calc R 1
H H10B 0.1594 -0.1061 0.5577 0.02 Uiso calc R 1
C C8 0.11430(17) -0.24836(16) 0.4050(2) 0.0166(5) Uani d . 1
H H8 0.095 -0.2658 0.4578 0.02 Uiso calc R 1
C C7 0.12253(18) -0.31226(16) 0.3342(2) 0.0191(5) Uani d . 1
H H7 0.1085 -0.3739 0.3375 0.023 Uiso calc R 1
C C4 0.40096(16) -0.05966(15) 0.4397(2) 0.0131(4) Uani d . 1
C C6 0.15143(18) -0.28453(16) 0.2589(2) 0.0188(5) Uani d . 1
H H6 0.1572 -0.327 0.2094 0.023 Uiso calc R 1
K K1 0.58006(4) -0.15237(4) 0.40836(5) 0.01943(14) Uani d . 1
Cr Cr1 0.20602(3) 0.00055(2) 0.34171(3) 0.01121(11) Uani d . 1
O O7 0.34714(12) -0.03049(11) 0.47715(14) 0.0141(3) Uani d . 1
O O1 0.06949(12) 0.03859(11) 0.19965(15) 0.0152(3) Uani d . 1
O O5 0.25793(12) -0.01071(11) 0.23925(15) 0.0149(3) Uani d . 1
O O3 0.23003(12) 0.13133(11) 0.36386(15) 0.0159(3) Uani d . 1
O O6 0.39886(13) -0.04729(11) 0.25436(15) 0.0182(4) Uani d . 1
O O4 0.14698(14) 0.26204(11) 0.28554(18) 0.0234(4) Uani d . 1
N N1 0.16395(14) -0.13233(13) 0.32521(18) 0.0132(4) Uani d . 1
O O2 -0.02507(13) 0.16134(12) 0.10562(16) 0.0206(4) Uani d . 1
N N2 0.16758(15) -0.00044(13) 0.46620(18) 0.0141(4) Uani d D 1
H H2A 0.2279(15) 0.0120(18) 0.5462(18) 0.017 Uiso d D 1
H H2B 0.1230(17) 0.0471(15) 0.447(2) 0.017 Uiso d D 1
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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'
K K 0.2009 0.2494 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C4 O8 K1 . . 120.82(14)
N1 C9 C8 . . 121.9(2)
N1 C9 C10 . . 116.8(2)
C8 C9 C10 . . 121.3(2)
O6 C3 O5 . . 125.7(2)
O6 C3 C4 . . 121.5(2)
O5 C3 C4 . . 112.72(18)
O6 C3 K1 . . 48.47(12)
O5 C3 K1 . . 166.81(15)
C4 C3 K1 . . 74.44(11)
O4 C2 O3 . . 125.8(2)
O4 C2 C1 . . 120.9(2)
O3 C2 C1 . . 113.4(2)
O4 C2 K1 . 3_455 42.36(12)
O3 C2 K1 . 3_455 117.88(14)
C1 C2 K1 . 3_455 109.81(13)
O2 C1 O1 . . 125.4(2)
O2 C1 C2 . . 120.6(2)
O1 C1 C2 . . 113.97(19)
N1 C5 C6 . . 122.0(2)
N1 C5 H5 . . 119
C6 C5 H5 . . 119
N2 C10 C9 . . 111.72(18)
N2 C10 H10A . . 109.3
C9 C10 H10A . . 109.3
N2 C10 H10B . . 109.3
C9 C10 H10B . . 109.3
H10A C10 H10B . . 107.9
C9 C8 C7 . . 119.2(2)
C9 C8 H8 . . 120.4
C7 C8 H8 . . 120.4
C6 C7 C8 . . 118.8(2)
C6 C7 H7 . . 120.6
C8 C7 H7 . . 120.6
O8 C4 O7 . . 125.9(2)
O8 C4 C3 . . 121.04(19)
O7 C4 C3 . . 113.09(18)
O8 C4 K1 . . 41.45(11)
O7 C4 K1 . . 167.29(15)
C3 C4 K1 . . 79.62(12)
C5 C6 C7 . . 119.5(2)
C5 C6 H6 . . 120.3
C7 C6 H6 . . 120.3
O8 K1 O4 . 3_545 165.93(6)
O8 K1 O3 . 5_656 92.75(5)
O4 K1 O3 3_545 5_656 97.00(5)
O8 K1 O6 . 2_655 124.85(5)
O4 K1 O6 3_545 2_655 62.84(5)
O3 K1 O6 5_656 2_655 102.04(5)
O8 K1 O6 . . 61.83(5)
O4 K1 O6 3_545 . 115.54(5)
O3 K1 O6 5_656 . 136.76(5)
O6 K1 O6 2_655 . 71.85(6)
O8 K1 O2 . 4_545 93.31(5)
O4 K1 O2 3_545 4_545 74.24(5)
O3 K1 O2 5_656 4_545 106.33(5)
O6 K1 O2 2_655 4_545 130.68(5)
O6 K1 O2 . 4_545 109.32(5)
O8 K1 O7 . 5_656 70.70(5)
O4 K1 O7 3_545 5_656 123.12(5)
O3 K1 O7 5_656 5_656 59.67(5)
O6 K1 O7 2_655 5_656 72.18(5)
O6 K1 O7 . 5_656 78.34(5)
O2 K1 O7 4_545 5_656 156.95(5)
O8 K1 O4 . 4_545 76.65(5)
O4 K1 O4 3_545 4_545 90.49(6)
O3 K1 O4 5_656 4_545 156.02(5)
O6 K1 O4 2_655 4_545 101.65(5)
O6 K1 O4 . 4_545 56.12(5)
O2 K1 O4 4_545 4_545 53.93(5)
O7 K1 O4 5_656 4_545 132.74(4)
O8 K1 K1 . 2_655 110.14(4)
O4 K1 K1 3_545 2_655 63.38(4)
O3 K1 K1 5_656 2_655 153.36(4)
O6 K1 K1 2_655 2_655 53.89(4)
O6 K1 K1 . 2_655 53.10(3)
O2 K1 K1 4_545 2_655 86.37(4)
O7 K1 K1 5_656 2_655 114.31(3)
O4 K1 K1 4_545 2_655 48.49(3)
O8 K1 C4 . . 17.73(5)
O4 K1 C4 3_545 . 155.56(6)
O3 K1 C4 5_656 . 107.44(5)
O6 K1 C4 2_655 . 110.64(5)
O6 K1 C4 . . 44.14(5)
O2 K1 C4 4_545 . 98.23(5)
O7 K1 C4 5_656 . 71.69(5)
O4 K1 C4 4_545 . 67.09(5)
K1 K1 C4 2_655 . 93.35(4)
O8 K1 C2 . 3_545 150.54(6)
O4 K1 C2 3_545 3_545 17.46(5)
O3 K1 C2 5_656 3_545 97.26(5)
O6 K1 C2 2_655 3_545 79.97(5)
O6 K1 C2 . 3_545 122.39(5)
O2 K1 C2 4_545 3_545 57.29(5)
O7 K1 C2 5_656 3_545 137.65(5)
O4 K1 C2 4_545 3_545 83.24(5)
K1 K1 C2 2_655 3_545 69.58(4)
C4 K1 C2 . 3_545 149.77(5)
O8 K1 C3 . . 43.67(5)
O4 K1 C3 3_545 . 131.87(6)
O3 K1 C3 5_656 . 128.22(5)
O6 K1 C3 2_655 . 89.22(5)
O6 K1 C3 . . 18.52(5)
O2 K1 C3 4_545 . 103.14(5)
O7 K1 C3 5_656 . 77.10(5)
O4 K1 C3 4_545 . 55.76(5)
K1 K1 C3 2_655 . 68.49(4)
C4 K1 C3 . . 25.94(5)
C2 K1 C3 3_545 . 134.53(6)
O7 Cr1 O1 . . 174.81(7)
O7 Cr1 O5 . . 82.41(7)
O1 Cr1 O5 . . 93.64(7)
O7 Cr1 O3 . . 94.28(7)
O1 Cr1 O3 . . 82.56(7)
O5 Cr1 O3 . . 93.40(7)
O7 Cr1 N1 . . 90.36(7)
O1 Cr1 N1 . . 93.37(7)
O5 Cr1 N1 . . 95.33(7)
O3 Cr1 N1 . . 170.59(7)
O7 Cr1 N2 . . 90.37(7)
O1 Cr1 N2 . . 93.78(7)
O5 Cr1 N2 . . 171.88(7)
O3 Cr1 N2 . . 90.81(7)
N1 Cr1 N2 . . 80.95(8)
O7 Cr1 K1 . 5_656 50.95(5)
O1 Cr1 K1 . 5_656 126.61(5)
O5 Cr1 K1 . 5_656 96.15(5)
O3 Cr1 K1 . 5_656 44.60(5)
N1 Cr1 K1 . 5_656 137.33(5)
N2 Cr1 K1 . 5_656 82.02(6)
C4 O7 Cr1 . . 114.47(14)
C4 O7 K1 . 5_656 109.95(13)
Cr1 O7 K1 . 5_656 98.57(6)
C1 O1 Cr1 . . 115.29(14)
C3 O5 Cr1 . . 115.22(14)
C2 O3 Cr1 . . 114.74(15)
C2 O3 K1 . 5_656 138.21(15)
Cr1 O3 K1 . 5_656 105.54(7)
C3 O6 K1 . 2_655 144.76(15)
C3 O6 K1 . . 113.01(14)
K1 O6 K1 2_655 . 73.01(4)
C2 O4 K1 . 3_455 120.18(15)
C2 O4 K1 . 4 114.95(16)
K1 O4 K1 3_455 4 68.13(4)
C9 N1 C5 . . 118.7(2)
C9 N1 Cr1 . . 116.04(15)
C5 N1 Cr1 . . 125.04(16)
C1 O2 K1 . 4 128.28(16)
C10 N2 Cr1 . . 113.54(14)
C10 N2 H2A . . 109.7(17)
Cr1 N2 H2A . . 106.8(17)
C10 N2 H2B . . 111.1(17)
Cr1 N2 H2B . . 109.2(17)
H2A N2 H2B . . 106(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O8 C4 . 1.220(3) ?
O8 K1 . 2.6514(17) y
C9 N1 . 1.347(3) ?
C9 C8 . 1.385(3) ?
C9 C10 . 1.507(3) ?
C3 O6 . 1.212(3) ?
C3 O5 . 1.296(3) ?
C3 C4 . 1.562(3) ?
C3 K1 . 3.512(2) y
C2 O4 . 1.215(3) ?
C2 O3 . 1.301(3) ?
C2 C1 . 1.556(3) ?
C2 K1 3_455 3.501(2) y
C1 O2 . 1.225(3) ?
C1 O1 . 1.286(3) ?
C5 N1 . 1.355(3) ?
C5 C6 . 1.378(3) ?
C5 H5 . 0.95 ?
C10 N2 . 1.475(3) ?
C10 H10A . 0.99 ?
C10 H10B . 0.99 ?
C8 C7 . 1.390(3) ?
C8 H8 . 0.95 ?
C7 C6 . 1.382(3) ?
C7 H7 . 0.95 ?
C4 O7 . 1.299(3) ?
C4 K1 . 3.440(2) y
C6 H6 . 0.95 ?
K1 O4 3_545 2.7287(18) y
K1 O3 5_656 2.7783(17) y
K1 O6 2_655 2.8276(17) ?
K1 O6 . 2.8567(18) y
K1 O2 4_545 2.8803(18) y
K1 O7 5_656 2.9938(17) y
K1 O4 4_545 3.2576(19) y
K1 K1 2_655 3.3815(11) y
K1 C2 3_545 3.501(2) y
Cr1 O7 . 1.9557(16) y
Cr1 O1 . 1.9614(16) y
Cr1 O5 . 1.9681(16) y
Cr1 O3 . 1.9700(16) y
Cr1 N1 . 2.0581(19) y
Cr1 N2 . 2.0644(19) y
Cr1 K1 5_656 3.8121(6) y
O7 K1 5_656 2.9938(17) ?
O3 K1 5_656 2.7783(17) ?
O6 K1 2_655 2.8276(17) ?
O4 K1 3_455 2.7287(18) ?
O4 K1 4 3.2576(19) ?
O2 K1 4 2.8803(18) ?
N2 H2A . 0.944(17) ?
N2 H2B . 0.934(17) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N2 H2A O5 6_556 0.944(17) 2.29(2) 2.988(3) 130(2)
N2 H2A O6 6_556 0.944(17) 2.558(17) 3.499(3) 175(2)
N2 H2B O2 2 0.934(17) 2.139(17) 3.070(3) 175(2)
N2 H2B O1 2 0.934(17) 2.52(2) 3.157(3) 125(2)
C8 H8 O8 7_546 0.95 2.53 3.319(3) 140.1
C7 H7 O7 7_546 0.95 2.54 3.232(3) 130
C6 H6 O3 4_545 0.95 2.59 3.386(3) 142.1
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O4 C2 C1 O2 . . 0.8(3)
O3 C2 C1 O2 . . -179.5(2)
K1 C2 C1 O2 3_455 . 46.4(2)
O4 C2 C1 O1 . . -178.2(2)
O3 C2 C1 O1 . . 1.6(3)
K1 C2 C1 O1 3_455 . -132.58(16)
N1 C9 C10 N2 . . -11.1(3)
C8 C9 C10 N2 . . 169.4(2)
N1 C9 C8 C7 . . -1.1(3)
C10 C9 C8 C7 . . 178.3(2)
C9 C8 C7 C6 . . 0.4(3)
K1 O8 C4 O7 . . -179.09(16)
K1 O8 C4 C3 . . 2.3(3)
O6 C3 C4 O8 . . -13.5(3)
O5 C3 C4 O8 . . 166.7(2)
K1 C3 C4 O8 . . -1.53(18)
O6 C3 C4 O7 . . 167.7(2)
O5 C3 C4 O7 . . -12.1(3)
K1 C3 C4 O7 . . 179.67(18)
O6 C3 C4 K1 . . -11.94(19)
O5 C3 C4 K1 . . 168.26(17)
N1 C5 C6 C7 . . -0.2(4)
C8 C7 C6 C5 . . 0.3(3)
C4 O8 K1 O4 . 3_545 -79.5(3)
C4 O8 K1 O3 . 5_656 146.59(17)
C4 O8 K1 O6 . 2_655 39.85(19)
C4 O8 K1 O6 . . 3.31(16)
C4 O8 K1 O2 . 4_545 -106.86(17)
C4 O8 K1 O7 . 5_656 90.13(17)
C4 O8 K1 O4 . 4_545 -55.17(17)
C4 O8 K1 K1 . 2_655 -19.52(18)
C4 O8 K1 C2 . 3_545 -103.40(19)
C4 O8 K1 C3 . . -1.25(15)
O7 C4 K1 O8 . . 3.4(6)
C3 C4 K1 O8 . . -178.0(2)
O8 C4 K1 O4 . 3_545 144.69(17)
O7 C4 K1 O4 . 3_545 148.1(6)
C3 C4 K1 O4 . 3_545 -33.33(19)
O8 C4 K1 O3 . 5_656 -35.20(18)
O7 C4 K1 O3 . 5_656 -31.8(7)
C3 C4 K1 O3 . 5_656 146.77(11)
O8 C4 K1 O6 . 2_655 -145.81(16)
O7 C4 K1 O6 . 2_655 -142.4(7)
C3 C4 K1 O6 . 2_655 36.17(12)
O8 C4 K1 O6 . . -175.8(2)
O7 C4 K1 O6 . . -172.4(7)
C3 C4 K1 O6 . . 6.17(10)
O8 C4 K1 O2 . 4_545 74.87(17)
O7 C4 K1 O2 . 4_545 78.2(7)
C3 C4 K1 O2 . 4_545 -103.15(11)
O8 C4 K1 O7 . 5_656 -83.79(17)
O7 C4 K1 O7 . 5_656 -80.4(7)
C3 C4 K1 O7 . 5_656 98.19(11)
O8 C4 K1 O4 . 4_545 119.88(18)
O7 C4 K1 O4 . 4_545 123.2(7)
C3 C4 K1 O4 . 4_545 -58.14(11)
O8 C4 K1 K1 . 2_655 161.69(17)
O7 C4 K1 K1 . 2_655 165.1(7)
C3 C4 K1 K1 . 2_655 -16.33(11)
O8 C4 K1 C2 . 3_545 108.13(18)
O7 C4 K1 C2 . 3_545 111.5(7)
C3 C4 K1 C2 . 3_545 -69.89(16)
O8 C4 K1 C3 . . 178.0(2)
O7 C4 K1 C3 . . -178.6(7)
O6 C3 K1 O8 . . 167.24(19)
O5 C3 K1 O8 . . -123.8(7)
C4 C3 K1 O8 . . 0.87(10)
O6 C3 K1 O4 . 3_545 -31.40(18)
O5 C3 K1 O4 . 3_545 37.5(7)
C4 C3 K1 O4 . 3_545 162.22(11)
O6 C3 K1 O3 . 5_656 124.66(15)
O5 C3 K1 O3 . 5_656 -166.4(6)
C4 C3 K1 O3 . 5_656 -41.71(13)
O6 C3 K1 O6 . 2_655 19.90(15)
O5 C3 K1 O6 . 2_655 88.8(7)
C4 C3 K1 O6 . 2_655 -146.47(12)
O5 C3 K1 O6 . . 68.9(6)
C4 C3 K1 O6 . . -166.4(2)
O6 C3 K1 O2 . 4_545 -111.88(15)
O5 C3 K1 O2 . 4_545 -42.9(7)
C4 C3 K1 O2 . 4_545 81.75(12)
O6 C3 K1 O7 . 5_656 91.78(15)
O5 C3 K1 O7 . 5_656 160.7(7)
C4 C3 K1 O7 . 5_656 -74.59(11)
O6 C3 K1 O4 . 4_545 -84.79(16)
O5 C3 K1 O4 . 4_545 -15.8(6)
C4 C3 K1 O4 . 4_545 108.84(12)
O6 C3 K1 K1 . 2_655 -31.19(14)
O5 C3 K1 K1 . 2_655 37.7(6)
C4 C3 K1 K1 . 2_655 162.44(12)
O6 C3 K1 C4 . . 166.4(2)
O5 C3 K1 C4 . . -124.7(7)
O6 C3 K1 C2 . 3_545 -55.17(18)
O5 C3 K1 C2 . 3_545 13.8(7)
C4 C3 K1 C2 . 3_545 138.46(11)
O8 C4 O7 Cr1 . . -162.60(19)
C3 C4 O7 Cr1 . . 16.1(2)
K1 C4 O7 Cr1 . . -165.3(6)
O8 C4 O7 K1 . 5_656 87.6(2)
C3 C4 O7 K1 . 5_656 -93.70(17)
K1 C4 O7 K1 . 5_656 84.8(7)
O1 Cr1 O7 C4 . . -52.9(8)
O5 Cr1 O7 C4 . . -12.27(15)
O3 Cr1 O7 C4 . . -105.14(15)
N1 Cr1 O7 C4 . . 83.06(15)
N2 Cr1 O7 C4 . . 164.01(15)
K1 Cr1 O7 C4 5_656 . -116.59(16)
O1 Cr1 O7 K1 . 5_656 63.7(8)
O5 Cr1 O7 K1 . 5_656 104.32(6)
O3 Cr1 O7 K1 . 5_656 11.45(6)
N1 Cr1 O7 K1 . 5_656 -160.35(6)
N2 Cr1 O7 K1 . 5_656 -79.39(7)
O2 C1 O1 Cr1 . . -178.10(18)
C2 C1 O1 Cr1 . . 0.8(2)
O7 Cr1 O1 C1 . . -54.6(8)
O5 Cr1 O1 C1 . . -94.89(15)
O3 Cr1 O1 C1 . . -1.93(15)
N1 Cr1 O1 C1 . . 169.54(15)
N2 Cr1 O1 C1 . . 88.40(16)
K1 Cr1 O1 C1 5_656 . 5.54(17)
O6 C3 O5 Cr1 . . -177.78(18)
C4 C3 O5 Cr1 . . 2.0(2)
K1 C3 O5 Cr1 . . 122.8(6)
O7 Cr1 O5 C3 . . 4.95(15)
O1 Cr1 O5 C3 . . -178.43(15)
O3 Cr1 O5 C3 . . 98.81(15)
N1 Cr1 O5 C3 . . -84.70(16)
N2 Cr1 O5 C3 . . -22.4(6)
K1 Cr1 O5 C3 5_656 . 54.13(15)
O4 C2 O3 Cr1 . . 176.61(19)
C1 C2 O3 Cr1 . . -3.2(2)
K1 C2 O3 Cr1 3_455 . 127.09(11)
O4 C2 O3 K1 . 5_656 13.3(4)
C1 C2 O3 K1 . 5_656 -166.50(14)
K1 C2 O3 K1 3_455 5_656 -36.3(2)
O7 Cr1 O3 C2 . . 178.75(15)
O1 Cr1 O3 C2 . . 2.88(15)
O5 Cr1 O3 C2 . . 96.12(15)
N1 Cr1 O3 C2 . . -62.0(5)
N2 Cr1 O3 C2 . . -90.82(16)
K1 Cr1 O3 C2 5_656 . -168.57(18)
O7 Cr1 O3 K1 . 5_656 -12.68(7)
O1 Cr1 O3 K1 . 5_656 171.45(7)
O5 Cr1 O3 K1 . 5_656 -95.31(7)
N1 Cr1 O3 K1 . 5_656 106.6(4)
N2 Cr1 O3 K1 . 5_656 77.75(7)
O5 C3 O6 K1 . 2_655 -71.9(4)
C4 C3 O6 K1 . 2_655 108.4(3)
K1 C3 O6 K1 . 2_655 92.9(3)
O5 C3 O6 K1 . . -164.79(18)
C4 C3 O6 K1 . . 15.4(2)
O8 K1 O6 C3 . . -9.96(15)
O4 K1 O6 C3 3_545 . 154.53(15)
O3 K1 O6 C3 5_656 . -70.63(17)
O6 K1 O6 C3 2_655 . -159.01(15)
O2 K1 O6 C3 4_545 . 73.25(16)
O7 K1 O6 C3 5_656 . -84.16(15)
O4 K1 O6 C3 4_545 . 82.56(15)
K1 K1 O6 C3 2_655 . 142.95(17)
C4 K1 O6 C3 . . -8.51(14)
C2 K1 O6 C3 3_545 . 136.14(15)
O8 K1 O6 K1 . 2_655 -152.91(6)
O4 K1 O6 K1 3_545 2_655 11.58(6)
O3 K1 O6 K1 5_656 2_655 146.43(6)
O6 K1 O6 K1 2_655 2_655 58.04(5)
O2 K1 O6 K1 4_545 2_655 -69.70(5)
O7 K1 O6 K1 5_656 2_655 132.89(4)
O4 K1 O6 K1 4_545 2_655 -60.39(5)
C4 K1 O6 K1 . 2_655 -151.46(8)
C2 K1 O6 K1 3_545 2_655 -6.81(7)
C3 K1 O6 K1 . 2_655 -142.95(17)
O3 C2 O4 K1 . 3_455 -93.7(2)
C1 C2 O4 K1 . 3_455 86.0(2)
O3 C2 O4 K1 . 4 -171.93(17)
C1 C2 O4 K1 . 4 7.8(3)
K1 C2 O4 K1 3_455 4 -78.18(13)
C8 C9 N1 C5 . . 1.2(3)
C10 C9 N1 C5 . . -178.25(19)
C8 C9 N1 Cr1 . . -173.43(17)
C10 C9 N1 Cr1 . . 7.1(2)
C6 C5 N1 C9 . . -0.5(3)
C6 C5 N1 Cr1 . . 173.60(17)
O7 Cr1 N1 C9 . . 89.21(16)
O1 Cr1 N1 C9 . . -94.40(16)
O5 Cr1 N1 C9 . . 171.62(15)
O3 Cr1 N1 C9 . . -30.4(5)
N2 Cr1 N1 C9 . . -1.11(15)
K1 Cr1 N1 C9 5_656 . 66.55(18)
O7 Cr1 N1 C5 . . -85.05(18)
O1 Cr1 N1 C5 . . 91.34(18)
O5 Cr1 N1 C5 . . -2.64(18)
O3 Cr1 N1 C5 . . 155.4(4)
N2 Cr1 N1 C5 . . -175.37(19)
K1 Cr1 N1 C5 5_656 . -107.71(17)
O1 C1 O2 K1 . 4 167.30(15)
C2 C1 O2 K1 . 4 -11.5(3)
C9 C10 N2 Cr1 . . 9.8(2)
O7 Cr1 N2 C10 . . -95.39(16)
O1 Cr1 N2 C10 . . 87.73(16)
O5 Cr1 N2 C10 . . -68.3(6)
O3 Cr1 N2 C10 . . 170.33(16)
N1 Cr1 N2 C10 . . -5.09(15)
K1 Cr1 N2 C10 5_656 . -145.81(15)
