#------------------------------------------------------------------------------
#$Date: 2016-02-04 03:05:54 +0200 (Thu, 04 Feb 2016) $
#$Revision: 175631 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/47/4344775.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_4344775
loop_
_publ_author_name
'Li, Li'
'Nishihara, Sadafumi'
'Inoue, Katsuya'
'Kurmoo, Mohamedally'
_publ_section_title
;
 Synthesis, Crystal Structure, and Magnetic Properties of a Chiral
 Cyanide-Bridged Bimetallic Framework
 K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              300
_journal_paper_doi               10.1021/acs.inorgchem.5b02399
_journal_volume                  55
_journal_year                    2015
_chemical_formula_sum            'C10 H11.33 Cr0.33 K Mn2 N4 O8.67'
_chemical_formula_weight         492.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           143
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   13.0947(7)
_cell_length_b                   13.0947(7)
_cell_length_c                   7.8233(4)
_cell_measurement_reflns_used    6708
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28.85
_cell_measurement_theta_min      2.60
_cell_volume                     1161.75(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0157
_diffrn_reflns_av_sigmaI/netI    0.0265
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6833
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.85
_diffrn_reflns_theta_min         2.60
_diffrn_standards_decay_%        'Bruker SAINT'
_diffrn_standards_interval_count 'Bruker APEX2'
_diffrn_standards_interval_time  'Bruker SAINT'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.177
_exptl_absorpt_correction_T_max  0.4763
_exptl_absorpt_correction_T_min  0.3110
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.112
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             737
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.930
_refine_diff_density_min         -1.257
_refine_diff_density_rms         0.136
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.319
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3292
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.319
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0428
_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)+(0.0066P)²+6.0485P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                3273
_reflns_number_total             3292
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b02399_si_001.cif
_cod_data_source_block           Mn6CrAspartate143K
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_sg_symbol_H-M      'P3   '
_cod_database_code               4344775
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.01919(8) 0.30818(8) 0.3634(3) 0.01092(19) Uani 1 1 d . . .
Mn2 Mn 0.31423(8) 0.35851(8) -0.1365(3) 0.01127(19) Uani 1 1 d . . .
N2 N 0.4578(4) 0.3151(4) -0.1733(7) 0.0156(10) Uani 1 1 d . . .
O1 O 0.1237(4) 0.4099(4) 0.1497(6) 0.0197(9) Uani 1 1 d . . .
O2 O 0.1871(4) 0.4167(4) -0.1135(6) 0.0150(8) Uani 1 1 d . . .
N3 N -0.0217(4) 0.2667(4) 0.6442(6) 0.0132(9) Uani 1 1 d . . .
H3 H -0.0928 0.2015 0.6564 0.016 Uiso 1 1 calc R . .
H3A H 0.0328 0.2529 0.6923 0.016 Uiso 1 1 calc R . .
O3 O 0.1460(4) 0.2498(4) 0.3848(6) 0.0135(8) Uani 1 1 d . . .
O4 O 0.4224(3) 0.5246(3) -0.2696(6) 0.0157(8) Uani 1 1 d . . .
N4 N 0.3550(4) 0.4002(4) 0.1437(7) 0.0147(10) Uani 1 1 d . . .
H4 H 0.4259 0.4657 0.1560 0.018 Uiso 1 1 calc R . .
H4A H 0.3002 0.4133 0.1921 0.018 Uiso 1 1 calc R . .
C3 C 0.1077(5) 0.3997(4) -0.0089(8) 0.0110(10) Uani 1 1 d . . .
O5 O 0.2096(4) 0.2572(4) -0.3502(6) 0.0198(9) Uani 1 1 d . . .
O6 O 0.1166(4) 0.4785(3) 0.5088(6) 0.0160(8) Uani 1 1 d . . .
O7 O -0.0889(3) 0.1421(3) 0.2304(6) 0.0161(8) Uani 1 1 d . . .
O8 O 0.2165(4) 0.1876(3) 0.0084(6) 0.0157(8) Uani 1 1 d . . .
C4 C -0.0139(5) 0.3663(5) -0.0770(8) 0.0135(11) Uani 1 1 d . . .
H4B H -0.0366 0.4209 -0.0312 0.016 Uiso 1 1 calc R . .
H4C H -0.0703 0.2882 -0.0356 0.016 Uiso 1 1 calc R . .
N1 N -0.1252(5) 0.3512(5) 0.3263(8) 0.0176(11) Uani 1 1 d . . .
C5 C 0.5169(5) 0.5903(4) -0.3489(8) 0.0121(10) Uani 1 1 d . . .
C6 C -0.1834(5) 0.0765(5) 0.1511(8) 0.0126(10) Uani 1 1 d . . .
C7 C 0.3470(5) 0.3006(5) 0.4229(8) 0.0137(11) Uani 1 1 d . . .
H7 H 0.3701 0.2465 0.4697 0.016 Uiso 1 1 calc R . .
H7A H 0.4030 0.3789 0.4638 0.016 Uiso 1 1 calc R . .
C8 C 0.2256(5) 0.2670(4) 0.4915(8) 0.0106(10) Uani 1 1 d . . .
Cr1A Cr -0.3333 0.3333 0.5745 0.0079(6) Uani 0.50 3 d SP . 1
Cr1B Cr 0.6667 0.3333 0.0747 0.008 Uani 0.50 3 d SP . 2
C2B C 0.5321 0.3176 -0.0802 0.007 Uani 0.50 1 d P . 2
C1A C -0.1990 0.3486 0.4176 0.007 Uani 0.50 1 d P . 1
C9 C 0.3554(5) 0.2995(5) 0.2285(8) 0.0128(11) Uani 1 1 d . . .
H9 H 0.4314 0.3055 0.2016 0.015 Uiso 1 1 calc R . .
C10 C -0.0213(5) 0.3669(5) 0.7292(8) 0.0123(11) Uani 1 1 d . . .
H10 H -0.0972 0.3608 0.7022 0.015 Uiso 1 1 calc R . .
C2A C 0.5328 0.3190 -0.2700 0.013 Uani 0.50 1 d P . 1
C1B C -0.1994 0.3477 0.2303 0.011 Uani 0.50 1 d P . 2
K1A K 0.0000 0.0000 0.3560(10) 0.0333(15) Uani 0.50 3 d SP . 1
K1B K 0.3333 0.6667 -0.1454(14) 0.051(3) Uani 0.50 3 d SP . 2
K2B K 0.0000 0.0000 0.851(3) 0.101(5) Uani 0.50 3 d SP . 2
K2A K 0.3333 0.6667 0.3582(12) 0.052(2) Uani 0.50 3 d SP . 1
K3A K 0.0000 0.0000 1.0874(10) 0.0359(14) Uani 0.50 3 d SP . 1
K3B K 0.3333 0.6667 0.5903(11) 0.0421(17) Uani 0.50 3 d SP . 2
O9A O 0.0000 0.0000 0.697(4) 0.112(16) Uani 0.50 3 d SP A 1
O9B O 0.0000 0.0000 0.503(2) 0.022(3) Uani 0.50 3 d SP B 2
O10B O 0.3333 0.6667 0.213(3) 0.099(13) Uani 0.50 3 d SP C 2
O10A O 0.3333 0.6667 0.009(2) 0.019(3) Uani 0.50 3 d SP 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 0.0000 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'
K K 0.2009 0.2494 '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'
Mn Mn 0.3368 0.7283 '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
O1 Mn1 O3 85.14(17) . .
O1 Mn1 O7 98.16(18) . .
O3 Mn1 O7 85.05(16) . .
O1 Mn1 N1 95.70(19) . .
O3 Mn1 N1 173.95(19) . .
O7 Mn1 N1 88.90(17) . .
O1 Mn1 O6 84.78(17) . .
O3 Mn1 O6 99.06(17) . .
O7 Mn1 O6 175.16(16) . .
N1 Mn1 O6 86.99(18) . .
O1 Mn1 N3 154.84(18) . .
O3 Mn1 N3 88.32(17) . .
O7 Mn1 N3 105.45(17) . .
N1 Mn1 N3 93.33(19) . .
O6 Mn1 N3 72.29(16) . .
O1 Mn1 K1A 108.66(16) . .
O3 Mn1 K1A 45.49(13) . .
O7 Mn1 K1A 44.64(13) . .
N1 Mn1 K1A 128.93(14) . .
O6 Mn1 K1A 137.94(14) . .
N3 Mn1 K1A 83.17(16) . .
O5 Mn2 O2 85.22(17) . .
O5 Mn2 O4 98.07(17) . .
O2 Mn2 O4 85.33(16) . .
O5 Mn2 N2 95.77(18) . .
O2 Mn2 N2 174.3(2) . .
O4 Mn2 N2 88.99(17) . .
O5 Mn2 O8 84.70(16) . .
O2 Mn2 O8 98.82(17) . .
O4 Mn2 O8 175.21(16) . .
N2 Mn2 O8 86.84(17) . .
O5 Mn2 N4 154.90(18) . .
O2 Mn2 N4 87.95(17) . .
O4 Mn2 N4 105.42(17) . .
N2 Mn2 N4 93.40(19) . .
O8 Mn2 N4 72.52(16) . .
O5 Mn2 K1B 108.36(19) . .
O2 Mn2 K1B 45.62(13) . .
O4 Mn2 K1B 44.59(15) . .
N2 Mn2 K1B 129.06(14) . .
O8 Mn2 K1B 138.14(16) . .
N4 Mn2 K1B 83.3(2) . .
C2B N2 C2A 75.6(3) . .
C2B N2 Mn2 133.3(4) . .
C2A N2 Mn2 146.1(4) . .
C3 O1 Mn1 133.0(4) . .
C3 O2 Mn2 135.3(4) . .
C3 O2 K1B 106.4(4) . .
Mn2 O2 K1B 101.77(17) . .
C10 N3 Mn1 109.3(3) . .
C10 N3 H3 109.8 . .
Mn1 N3 H3 109.8 . .
C10 N3 H3A 109.8 . .
Mn1 N3 H3A 109.8 . .
H3 N3 H3A 108.3 . .
C8 O3 Mn1 134.6(4) . .
C8 O3 K1A 106.0(4) . .
Mn1 O3 K1A 101.96(16) . .
C5 O4 Mn2 147.5(4) . .
C5 O4 K1B 107.9(3) . .
Mn2 O4 K1B 102.6(2) . .
C5 O4 K3B 87.0(3) . 1_554
Mn2 O4 K3B 124.02(17) . 1_554
K1B O4 K3B 42.7(3) . 1_554
C9 N4 Mn2 109.0(3) . .
C9 N4 H4 109.9 . .
Mn2 N4 H4 109.9 . .
C9 N4 H4A 109.9 . .
Mn2 N4 H4A 109.9 . .
H4 N4 H4A 108.3 . .
O2 C3 O1 123.2(5) . .
O2 C3 C4 118.6(5) . .
O1 C3 C4 118.2(5) . .
O2 C3 K1B 53.1(3) . .
O1 C3 K1B 100.7(4) . .
C4 C3 K1B 115.4(3) . .
C8 O5 Mn2 133.1(4) 1_554 .
C5 O6 Mn1 116.6(4) 3_566 .
C5 O6 K3B 92.2(4) 3_566 .
Mn1 O6 K3B 145.8(2) . .
C5 O6 K2A 125.8(4) 3_566 .
Mn1 O6 K2A 117.6(2) . .
K3B O6 K2A 37.2(3) . .
C6 O7 Mn1 147.3(4) . .
C6 O7 K1A 108.1(3) . .
Mn1 O7 K1A 102.50(18) . .
C6 O7 K3A 86.8(3) . 1_554
Mn1 O7 K3A 124.23(17) . 1_554
K1A O7 K3A 43.3(2) . 1_554
C6 O8 Mn2 116.3(3) 3 .
C6 O8 K3A 92.7(3) 3 1_554
Mn2 O8 K3A 145.6(2) . 1_554
C6 O8 K2B 126.8(5) 3 1_554
Mn2 O8 K2B 116.8(3) . 1_554
K3A O8 K2B 37.9(4) 1_554 1_554
C3 C4 C10 114.0(5) . 1_554
C3 C4 H4B 108.7 . .
C10 C4 H4B 108.7 1_554 .
C3 C4 H4C 108.7 . .
C10 C4 H4C 108.7 1_554 .
H4B C4 H4C 107.6 . .
C1A N1 C1B 75.3(3) . .
C1A N1 Mn1 133.6(4) . .
C1B N1 Mn1 146.2(4) . .
O4 C5 O6 124.0(5) . 2_664
O4 C5 C10 118.4(5) . 2_664
O6 C5 C10 117.6(5) 2_664 2_664
O4 C5 K3B 68.8(3) . 1_554
O6 C5 K3B 63.5(3) 2_664 1_554
C10 C5 K3B 150.6(4) 2_664 1_554
O4 C5 K1B 51.6(3) . .
O6 C5 K1B 97.6(4) 2_664 .
C10 C5 K1B 122.6(4) 2_664 .
K3B C5 K1B 36.6(2) 1_554 .
O8 C6 O7 123.8(5) 2 .
O8 C6 C9 117.8(5) 2 2
O7 C6 C9 118.4(5) . 2
O8 C6 K3A 63.0(3) 2 1_554
O7 C6 K3A 69.0(3) . 1_554
C9 C6 K3A 151.3(4) 2 1_554
O8 C6 K1A 97.7(3) 2 .
O7 C6 K1A 51.4(3) . .
C9 C6 K1A 122.9(4) 2 .
K3A C6 K1A 37.23(19) 1_554 .
C8 C7 C9 114.8(5) . .
C8 C7 H7 108.6 . .
C9 C7 H7 108.6 . .
C8 C7 H7A 108.6 . .
C9 C7 H7A 108.6 . .
H7 C7 H7A 107.5 . .
O5 C8 O3 123.6(5) 1_556 .
O5 C8 C7 118.5(5) 1_556 .
O3 C8 C7 118.0(5) . .
O5 C8 K1A 100.7(4) 1_556 .
O3 C8 K1A 53.2(3) . .
C7 C8 K1A 115.4(3) . .
C2A Cr1A C2A 88.786(3) 2_556 1_456
C2A Cr1A C2A 88.788(3) 2_556 3_566
C2A Cr1A C2A 88.788(3) 1_456 3_566
C2A Cr1A C1A 91.162(4) 2_556 3_455
C2A Cr1A C1A 91.591(3) 1_456 3_455
C2A Cr1A C1A 179.6 3_566 3_455
C2A Cr1A C1A 91.592(3) 2_556 .
C2A Cr1A C1A 179.6 1_456 .
C2A Cr1A C1A 91.163(3) 3_566 .
C1A Cr1A C1A 88.459(4) 3_455 .
C2A Cr1A C1A 179.6 2_556 2_565
C2A Cr1A C1A 91.164(3) 1_456 2_565
C2A Cr1A C1A 91.590(3) 3_566 2_565
C1A Cr1A C1A 88.461(3) 3_455 2_565
C1A Cr1A C1A 88.459(4) . 2_565
C2B Cr1B C2B 88.968(3) 2_655 3_665
C2B Cr1B C2B 88.970(3) 2_655 .
C2B Cr1B C2B 88.970(3) 3_665 .
C2B Cr1B C1B 90.827(3) 2_655 1_655
C2B Cr1B C1B 91.425(3) 3_665 1_655
C2B Cr1B C1B 179.6 . 1_655
C2B Cr1B C1B 91.426(3) 2_655 3
C2B Cr1B C1B 179.6 3_665 3
C2B Cr1B C1B 90.827(3) . 3
C1B Cr1B C1B 88.779(3) 1_655 3
C2B Cr1B C1B 179.6 2_655 2_665
C2B Cr1B C1B 90.827(3) 3_665 2_665
C2B Cr1B C1B 91.426(4) . 2_665
C1B Cr1B C1B 88.779(3) 1_655 2_665
C1B Cr1B C1B 88.781(3) 3 2_665
N2 C2B Cr1B 176.2(2) . .
N1 C1A Cr1A 176.6(3) . .
N4 C9 C7 113.9(5) . .
N4 C9 C6 110.0(4) . 3
C7 C9 C6 112.1(5) . 3
N4 C9 H9 106.7 . .
C7 C9 H9 106.7 . .
C6 C9 H9 106.7 3 .
N3 C10 C4 114.8(5) . 1_556
N3 C10 C5 110.3(4) . 3_566
C4 C10 C5 112.5(5) 1_556 3_566
N3 C10 H10 106.2 . .
C4 C10 H10 106.2 1_556 .
C5 C10 H10 106.2 3_566 .
N2 C2A Cr1A 176.8(2) . 1_654
N1 C1B Cr1B 176.6(3) . 1_455
K3A K1A O9A 179.999(2) 1_554 .
K3A K1A O7 69.61(17) 1_554 3
O9A K1A O7 110.39(17) . 3
K3A K1A O7 69.61(17) 1_554 .
O9A K1A O7 110.39(17) . .
O7 K1A O7 108.54(18) 3 .
K3A K1A O7 69.61(17) 1_554 2
O9A K1A O7 110.39(17) . 2
O7 K1A O7 108.54(18) 3 2
O7 K1A O7 108.54(18) . 2
K3A K1A O3 94.53(17) 1_554 .
O9A K1A O3 85.47(17) . .
O7 K1A O3 65.73(12) 3 .
O7 K1A O3 62.11(12) . .
O7 K1A O3 164.0(3) 2 .
K3A K1A O3 94.53(17) 1_554 3
O9A K1A O3 85.47(17) . 3
O7 K1A O3 62.11(12) 3 3
O7 K1A O3 164.0(3) . 3
O7 K1A O3 65.73(12) 2 3
O3 K1A O3 119.38(5) . 3
K3A K1A O3 94.53(17) 1_554 2
O9A K1A O3 85.47(17) . 2
O7 K1A O3 164.0(3) 3 2
O7 K1A O3 65.73(12) . 2
O7 K1A O3 62.11(12) 2 2
O3 K1A O3 119.38(5) . 2
O3 K1A O3 119.38(5) 3 2
K3A K1A C6 62.11(15) 1_554 .
O9A K1A C6 117.89(15) . .
O7 K1A C6 118.7(2) 3 .
O7 K1A C6 20.49(12) . .
O7 K1A C6 88.14(17) 2 .
O3 K1A C6 82.40(13) . .
O3 K1A C6 150.5(2) 3 .
O3 K1A C6 51.15(13) 2 .
K3A K1A C6 62.11(15) 1_554 2
O9A K1A C6 117.89(15) . 2
O7 K1A C6 88.14(17) 3 2
O7 K1A C6 118.7(2) . 2
O7 K1A C6 20.49(12) 2 2
O3 K1A C6 150.5(2) . 2
O3 K1A C6 51.15(13) 3 2
O3 K1A C6 82.40(13) 2 2
C6 K1A C6 99.89(18) . 2
K3A K1A C6 62.11(15) 1_554 3
O9A K1A C6 117.89(15) . 3
O7 K1A C6 20.48(12) 3 3
O7 K1A C6 88.14(17) . 3
O7 K1A C6 118.7(2) 2 3
O3 K1A C6 51.15(13) . 3
O3 K1A C6 82.40(13) 3 3
O3 K1A C6 150.5(2) 2 3
C6 K1A C6 99.89(18) . 3
C6 K1A C6 99.89(18) 2 3
K3A K1A C8 108.01(15) 1_554 .
O9A K1A C8 71.99(15) . .
O7 K1A C8 59.12(12) 3 .
O7 K1A C8 82.21(12) . .
O7 K1A C8 166.43(12) 2 .
O3 K1A C8 20.78(13) . .
O3 K1A C8 101.67(14) 3 .
O3 K1A C8 131.25(17) 2 .
C6 K1A C8 102.66(13) . .
C6 K1A C8 146.35(14) 2 .
C6 K1A C8 51.85(13) 3 .
K3B K1B O10B 179.999(3) 1_554 .
K3B K1B O4 69.8(2) 1_554 3_565
O10B K1B O4 110.2(2) . 3_565
K3B K1B O4 69.8(2) 1_554 .
O10B K1B O4 110.2(2) . .
O4 K1B O4 108.8(2) 3_565 .
K3B K1B O4 69.8(2) 1_554 2_665
O10B K1B O4 110.2(2) . 2_665
O4 K1B O4 108.8(2) 3_565 2_665
O4 K1B O4 108.8(2) . 2_665
K3B K1B O2 95.0(2) 1_554 .
O10B K1B O2 85.0(2) . .
O4 K1B O2 65.83(12) 3_565 .
O4 K1B O2 62.31(12) . .
O4 K1B O2 164.7(5) 2_665 .
K3B K1B O2 95.0(2) 1_554 2_665
O10B K1B O2 85.0(2) . 2_665
O4 K1B O2 164.7(5) 3_565 2_665
O4 K1B O2 65.83(13) . 2_665
O4 K1B O2 62.31(12) 2_665 2_665
O2 K1B O2 119.24(7) . 2_665
K3B K1B O2 95.0(2) 1_554 3_565
O10B K1B O2 85.0(2) . 3_565
O4 K1B O2 62.31(12) 3_565 3_565
O4 K1B O2 164.7(5) . 3_565
O4 K1B O2 65.82(12) 2_665 3_565
O2 K1B O2 119.24(7) . 3_565
O2 K1B O2 119.24(7) 2_665 3_565
K3B K1B C5 62.28(19) 1_554 3_565
O10B K1B C5 117.72(19) . 3_565
O4 K1B C5 20.54(12) 3_565 3_565
O4 K1B C5 88.3(2) . 3_565
O4 K1B C5 119.0(3) 2_665 3_565
O2 K1B C5 51.34(14) . 3_565
O2 K1B C5 151.0(3) 2_665 3_565
O2 K1B C5 82.66(15) 3_565 3_565
K3B K1B C5 62.28(19) 1_554 .
O10B K1B C5 117.72(19) . .
O4 K1B C5 119.0(3) 3_565 .
O4 K1B C5 20.54(12) . .
O4 K1B C5 88.3(2) 2_665 .
O2 K1B C5 82.66(15) . .
O2 K1B C5 51.34(14) 2_665 .
O2 K1B C5 151.0(3) 3_565 .
C5 K1B C5 100.1(2) 3_565 .
K3B K1B C5 62.28(19) 1_554 2_665
O10B K1B C5 117.72(19) . 2_665
O4 K1B C5 88.3(2) 3_565 2_665
O4 K1B C5 119.0(3) . 2_665
O4 K1B C5 20.54(12) 2_665 2_665
O2 K1B C5 151.0(3) . 2_665
O2 K1B C5 82.66(15) 2_665 2_665
O2 K1B C5 51.34(14) 3_565 2_665
C5 K1B C5 100.1(2) 3_565 2_665
C5 K1B C5 100.1(2) . 2_665
K3B K1B C3 108.1(2) 1_554 .
O10B K1B C3 71.9(2) . .
O4 K1B C3 59.05(13) 3_565 .
O4 K1B C3 82.20(12) . .
O4 K1B C3 166.45(13) 2_665 .
O2 K1B C3 20.52(13) . .
O2 K1B C3 130.9(2) 2_665 .
O2 K1B C3 101.51(16) 3_565 .
C5 K1B C3 51.81(13) 3_565 .
C5 K1B C3 102.71(13) . .
C5 K1B C3 146.39(16) 2_665 .
O9B K2B O8 114.8(4) . 1_556
O9B K2B O8 114.8(4) . 2_556
O8 K2B O8 103.6(4) 1_556 2_556
O9B K2B O8 114.8(4) . 3_556
O8 K2B O8 103.6(4) 1_556 3_556
O8 K2B O8 103.6(4) 2_556 3_556
O10A K2A O6 113.81(18) . 3_565
O10A K2A O6 113.81(18) . .
O6 K2A O6 104.8(2) 3_565 .
O10A K2A O6 113.81(18) . 2_665
O6 K2A O6 104.8(2) 3_565 2_665
O6 K2A O6 104.8(2) . 2_665
K1A K3A O8 103.06(18) 1_556 1_556
K1A K3A O8 103.07(18) 1_556 2_556
O8 K3A O8 115.05(13) 1_556 2_556
K1A K3A O8 103.06(18) 1_556 3_556
O8 K3A O8 115.05(13) 1_556 3_556
O8 K3A O8 115.05(13) 2_556 3_556
K1A K3A O7 67.05(17) 1_556 3_556
O8 K3A O7 46.80(12) 1_556 3_556
O8 K3A O7 150.35(15) 2_556 3_556
O8 K3A O7 94.58(12) 3_556 3_556
K1A K3A O7 67.05(17) 1_556 1_556
O8 K3A O7 94.58(12) 1_556 1_556
O8 K3A O7 46.80(12) 2_556 1_556
O8 K3A O7 150.35(15) 3_556 1_556
O7 K3A O7 105.78(19) 3_556 1_556
K1A K3A O7 67.05(17) 1_556 2_556
O8 K3A O7 150.35(15) 1_556 2_556
O8 K3A O7 94.58(12) 2_556 2_556
O8 K3A O7 46.80(12) 3_556 2_556
O7 K3A O7 105.78(19) 3_556 2_556
O7 K3A O7 105.78(19) 1_556 2_556
K1A K3A O9A 179.999(7) 1_556 .
O8 K3A O9A 76.94(18) 1_556 .
O8 K3A O9A 76.94(18) 2_556 .
O8 K3A O9A 76.94(18) 3_556 .
O7 K3A O9A 112.95(17) 3_556 .
O7 K3A O9A 112.95(17) 1_556 .
O7 K3A O9A 112.95(17) 2_556 .
K1A K3A C6 80.67(18) 1_556 1_556
O8 K3A C6 111.83(13) 1_556 1_556
O8 K3A C6 24.34(14) 2_556 1_556
O8 K3A C6 130.49(14) 3_556 1_556
O7 K3A C6 130.0(2) 3_556 1_556
O7 K3A C6 24.23(13) 1_556 1_556
O7 K3A C6 94.58(15) 2_556 1_556
O9A K3A C6 99.34(18) . 1_556
K1A K3A C6 80.66(18) 1_556 2_556
O8 K3A C6 130.49(13) 1_556 2_556
O8 K3A C6 111.83(13) 2_556 2_556
O8 K3A C6 24.34(14) 3_556 2_556
O7 K3A C6 94.58(15) 3_556 2_556
O7 K3A C6 130.0(2) 1_556 2_556
O7 K3A C6 24.23(13) 2_556 2_556
O9A K3A C6 99.33(18) . 2_556
C6 K3A C6 117.42(10) 1_556 2_556
K1A K3A C6 80.66(18) 1_556 3_556
O8 K3A C6 24.34(14) 1_556 3_556
O8 K3A C6 130.49(14) 2_556 3_556
O8 K3A C6 111.83(13) 3_556 3_556
O7 K3A C6 24.23(13) 3_556 3_556
O7 K3A C6 94.58(15) 1_556 3_556
O7 K3A C6 130.0(2) 2_556 3_556
O9A K3A C6 99.33(18) . 3_556
C6 K3A C6 117.42(10) 1_556 3_556
C6 K3A C6 117.42(10) 2_556 3_556
K1B K3B O6 103.4(2) 1_556 3_565
K1B K3B O6 103.4(2) 1_556 .
O6 K3B O6 114.78(15) 3_565 .
K1B K3B O6 103.4(2) 1_556 2_665
O6 K3B O6 114.77(15) 3_565 2_665
O6 K3B O6 114.78(15) . 2_665
K1B K3B O4 67.49(18) 1_556 1_556
O6 K3B O4 150.63(16) 3_565 1_556
O6 K3B O4 94.59(12) . 1_556
O6 K3B O4 46.79(12) 2_665 1_556
K1B K3B O4 67.49(19) 1_556 3_566
O6 K3B O4 94.59(12) 3_565 3_566
O6 K3B O4 46.79(12) . 3_566
O6 K3B O4 150.63(16) 2_665 3_566
O4 K3B O4 106.3(2) 1_556 3_566
K1B K3B O4 67.49(19) 1_556 2_666
O6 K3B O4 46.78(12) 3_565 2_666
O6 K3B O4 150.63(16) . 2_666
O6 K3B O4 94.59(12) 2_665 2_666
O4 K3B O4 106.3(2) 1_556 2_666
O4 K3B O4 106.3(2) 3_566 2_666
K1B K3B O10B 179.999(5) 1_556 .
O6 K3B O10B 76.6(2) 3_565 .
O6 K3B O10B 76.6(2) . .
O6 K3B O10B 76.6(2) 2_665 .
O4 K3B O10B 112.51(18) 1_556 .
O4 K3B O10B 112.51(18) 3_566 .
O4 K3B O10B 112.51(19) 2_666 .
K1B K3B C5 81.1(2) 1_556 3_566
O6 K3B C5 111.75(13) 3_565 3_566
O6 K3B C5 24.30(13) . 3_566
O6 K3B C5 130.45(13) 2_665 3_566
O4 K3B C5 94.84(16) 1_556 3_566
O4 K3B C5 24.26(13) 3_566 3_566
O4 K3B C5 130.5(2) 2_666 3_566
O10B K3B C5 98.9(2) . 3_566
K1B K3B C5 81.1(2) 1_556 1_556
O6 K3B C5 130.45(14) 3_565 1_556
O6 K3B C5 111.75(13) . 1_556
O6 K3B C5 24.30(13) 2_665 1_556
O4 K3B C5 24.26(13) 1_556 1_556
O4 K3B C5 130.5(2) 3_566 1_556
O4 K3B C5 94.84(16) 2_666 1_556
O10B K3B C5 98.9(2) . 1_556
C5 K3B C5 117.65(10) 3_566 1_556
K1B K3B C5 81.1(2) 1_556 2_666
O6 K3B C5 24.30(13) 3_565 2_666
O6 K3B C5 130.45(13) . 2_666
O6 K3B C5 111.75(13) 2_665 2_666
O4 K3B C5 130.5(2) 1_556 2_666
O4 K3B C5 94.84(16) 3_566 2_666
O4 K3B C5 24.26(13) 2_666 2_666
O10B K3B C5 98.9(2) . 2_666
C5 K3B C5 117.64(10) 3_566 2_666
C5 K3B C5 117.64(10) 1_556 2_666
K1A O9A K3A 180.000(2) . .
K1B O10B K3B 180.000(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.149(4) .
Mn1 O3 2.154(4) .
Mn1 O7 2.177(4) .
Mn1 N1 2.246(5) .
Mn1 O6 2.247(4) .
Mn1 N3 2.262(5) .
Mn1 K1A 3.9164(9) .
Mn2 O5 2.148(4) .
Mn2 O2 2.157(4) .
Mn2 O4 2.177(4) .
Mn2 N2 2.238(5) .
Mn2 O8 2.251(4) .
Mn2 N4 2.258(5) .
Mn2 K1B 3.9168(9) .
N2 C2B 1.202(5) .
N2 C2A 1.220(6) .
O1 C3 1.255(7) .
O2 C3 1.253(7) .
O2 K1B 2.859(5) .
N3 C10 1.469(7) .
N3 H3 0.9000 .
N3 H3A 0.9000 .
O3 C8 1.265(7) .
O3 K1A 2.855(5) .
O4 C5 1.262(7) .
O4 K1B 2.817(6) .
O4 K3B 2.863(5) 1_554
N4 C9 1.479(7) .
N4 H4 0.9000 .
N4 H4A 0.9000 .
C3 C4 1.521(8) .
C3 K1B 3.430(6) .
O5 C8 1.252(7) 1_554
O6 C5 1.263(7) 3_566
O6 K3B 2.746(4) .
O6 K2A 2.919(5) .
O7 C6 1.262(7) .
O7 K1A 2.819(5) .
O7 K3A 2.869(5) 1_554
O8 C6 1.267(7) 3
O8 K3A 2.737(4) 1_554
O8 K2B 2.937(9) 1_554
C4 C10 1.520(8) 1_554
C4 H4B 0.9700 .
C4 H4C 0.9700 .
N1 C1A 1.189(5) .
N1 C1B 1.211(6) .
C5 O6 1.263(7) 2_664
C5 C10 1.530(8) 2_664
C5 K3B 3.067(6) 1_554
C5 K1B 3.423(7) .
C6 O8 1.267(7) 2
C6 C9 1.530(8) 2
C6 K3A 3.070(5) 1_554
C6 K1A 3.427(6) .
C7 C8 1.519(7) .
C7 C9 1.526(8) .
C7 H7 0.9700 .
C7 H7A 0.9700 .
C8 O5 1.252(7) 1_556
C8 K1A 3.427(6) .
Cr1A C2A 2.0642 2_556
Cr1A C2A 2.0642 1_456
Cr1A C2A 2.0643 3_566
Cr1A C1A 2.0702 3_455
Cr1A C1A 2.0702 .
Cr1A C1A 2.0702 2_565
Cr1B C2B 2.0626 2_655
Cr1B C2B 2.0626 3_665
Cr1B C2B 2.0626 .
Cr1B C1B 2.0646 1_655
Cr1B C1B 2.0646 3
Cr1B C1B 2.0646 2_665
C9 C6 1.530(8) 3
C9 H9 0.9800 .
C10 C4 1.520(8) 1_556
C10 C5 1.530(8) 3_566
C10 H10 0.9800 .
C2A Cr1A 2.0642 1_654
C1B Cr1B 2.0646 1_455
K1A K3A 2.101(11) 1_554
K1A O9A 2.66(3) .
K1A O7 2.819(5) 3
K1A O7 2.819(5) 2
K1A O3 2.855(5) 3
K1A O3 2.855(5) 2
K1A C6 3.427(6) 2
K1A C6 3.427(6) 3
K1B K3B 2.067(14) 1_554
K1B O10B 2.80(3) .
K1B O4 2.817(6) 3_565
K1B O4 2.817(6) 2_665
K1B O2 2.859(5) 2_665
K1B O2 2.859(5) 3_565
K1B C5 3.423(7) 3_565
K1B C5 3.423(7) 2_665
K2B O9B 2.72(2) .
K2B O8 2.937(9) 1_556
K2B O8 2.937(9) 2_556
K2B O8 2.937(9) 3_556
K2A O10A 2.73(2) .
K2A O6 2.919(5) 3_565
K2A O6 2.919(5) 2_665
K3A K1A 2.101(11) 1_556
K3A O8 2.737(4) 1_556
K3A O8 2.737(4) 2_556
K3A O8 2.737(4) 3_556
K3A O7 2.869(5) 3_556
K3A O7 2.869(5) 1_556
K3A O7 2.869(5) 2_556
K3A O9A 3.06(3) .
K3A C6 3.069(6) 1_556
K3A C6 3.069(6) 2_556
K3A C6 3.070(6) 3_556
K3B K1B 2.067(14) 1_556
K3B O6 2.746(4) 3_565
K3B O6 2.746(4) 2_665
K3B O4 2.862(5) 1_556
K3B O4 2.863(5) 3_566
K3B O4 2.863(5) 2_666
K3B O10B 2.95(3) .
K3B C5 3.067(6) 3_566
K3B C5 3.067(6) 1_556
K3B C5 3.067(6) 2_666
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
O5 Mn2 N2 C2B -159.1(5) . .
O2 Mn2 N2 C2B 101.1(19) . .
O4 Mn2 N2 C2B 102.8(5) . .
O8 Mn2 N2 C2B -74.8(5) . .
N4 Mn2 N2 C2B -2.5(5) . .
K1B Mn2 N2 C2B 81.5(5) . .
O5 Mn2 N2 C2A 58.7(6) . .
O2 Mn2 N2 C2A -41(2) . .
O4 Mn2 N2 C2A -39.3(6) . .
O8 Mn2 N2 C2A 143.0(6) . .
N4 Mn2 N2 C2A -144.7(6) . .
K1B Mn2 N2 C2A -60.7(7) . .
O3 Mn1 O1 C3 107.1(5) . .
O7 Mn1 O1 C3 22.8(5) . .
N1 Mn1 O1 C3 -66.9(5) . .
O6 Mn1 O1 C3 -153.3(5) . .
N3 Mn1 O1 C3 -177.3(4) . .
K1A Mn1 O1 C3 67.6(5) . .
O5 Mn2 O2 C3 110.1(6) . .
O4 Mn2 O2 C3 -151.4(6) . .
N2 Mn2 O2 C3 -149.6(17) . .
O8 Mn2 O2 C3 26.2(6) . .
N4 Mn2 O2 C3 -45.7(6) . .
K1B Mn2 O2 C3 -128.3(7) . .
O5 Mn2 O2 K1B -121.6(3) . .
O4 Mn2 O2 K1B -23.1(3) . .
N2 Mn2 O2 K1B -21(2) . .
O8 Mn2 O2 K1B 154.5(3) . .
N4 Mn2 O2 K1B 82.6(3) . .
O1 Mn1 N3 C10 57.3(6) . .
O3 Mn1 N3 C10 132.1(4) . .
O7 Mn1 N3 C10 -143.5(3) . .
N1 Mn1 N3 C10 -53.7(4) . .
O6 Mn1 N3 C10 32.0(3) . .
K1A Mn1 N3 C10 177.4(3) . .
O1 Mn1 O3 C8 110.5(6) . .
O7 Mn1 O3 C8 -150.8(6) . .
N1 Mn1 O3 C8 -151.1(17) . .
O6 Mn1 O3 C8 26.6(6) . .
N3 Mn1 O3 C8 -45.1(6) . .
K1A Mn1 O3 C8 -127.2(6) . .
O1 Mn1 O3 K1A -122.3(2) . .
O7 Mn1 O3 K1A -23.6(2) . .
N1 Mn1 O3 K1A -23.9(19) . .
O6 Mn1 O3 K1A 153.8(2) . .
N3 Mn1 O3 K1A 82.1(2) . .
O5 Mn2 O4 C5 -92.7(7) . .
O2 Mn2 O4 C5 -177.2(7) . .
N2 Mn2 O4 C5 2.9(7) . .
O8 Mn2 O4 C5 32(2) . .
N4 Mn2 O4 C5 96.2(7) . .
K1B Mn2 O4 C5 159.2(8) . .
O5 Mn2 O4 K1B 108.0(2) . .
O2 Mn2 O4 K1B 23.5(2) . .
N2 Mn2 O4 K1B -156.3(3) . .
O8 Mn2 O4 K1B -126.8(19) . .
N4 Mn2 O4 K1B -63.1(3) . .
O5 Mn2 O4 K3B 67.3(3) . 1_554
O2 Mn2 O4 K3B -17.2(3) . 1_554
N2 Mn2 O4 K3B 163.0(3) . 1_554
O8 Mn2 O4 K3B -167.5(19) . 1_554
N4 Mn2 O4 K3B -103.7(3) . 1_554
K1B Mn2 O4 K3B -40.7(3) . 1_554
O5 Mn2 N4 C9 58.2(6) . .
O2 Mn2 N4 C9 132.4(4) . .
O4 Mn2 N4 C9 -143.0(3) . .
N2 Mn2 N4 C9 -53.1(4) . .
O8 Mn2 N4 C9 32.5(3) . .
K1B Mn2 N4 C9 177.9(3) . .
Mn2 O2 C3 O1 49.1(8) . .
K1B O2 C3 O1 -77.7(6) . .
Mn2 O2 C3 C4 -131.6(5) . .
K1B O2 C3 C4 101.6(5) . .
Mn2 O2 C3 K1B 126.8(6) . .
Mn1 O1 C3 O2 -138.7(5) . .
Mn1 O1 C3 C4 42.0(7) . .
Mn1 O1 C3 K1B 168.6(3) . .
O2 Mn2 O5 C8 107.9(5) . 1_554
O4 Mn2 O5 C8 23.3(5) . 1_554
N2 Mn2 O5 C8 -66.5(5) . 1_554
O8 Mn2 O5 C8 -152.8(5) . 1_554
N4 Mn2 O5 C8 -177.4(5) . 1_554
K1B Mn2 O5 C8 68.0(5) . 1_554
O1 Mn1 O6 C5 164.5(4) . 3_566
O3 Mn1 O6 C5 -111.3(4) . 3_566
O7 Mn1 O6 C5 37(2) . 3_566
N1 Mn1 O6 C5 68.5(4) . 3_566
N3 Mn1 O6 C5 -26.0(4) . 3_566
K1A Mn1 O6 C5 -83.3(4) . 3_566
O1 Mn1 O6 K3B -51.0(4) . .
O3 Mn1 O6 K3B 33.2(4) . .
O7 Mn1 O6 K3B -178.7(18) . .
N1 Mn1 O6 K3B -147.0(4) . .
N3 Mn1 O6 K3B 118.5(4) . .
K1A Mn1 O6 K3B 61.2(5) . .
O1 Mn1 O6 K2A -17.0(2) . .
O3 Mn1 O6 K2A 67.2(2) . .
O7 Mn1 O6 K2A -144.7(19) . .
N1 Mn1 O6 K2A -113.0(2) . .
N3 Mn1 O6 K2A 152.5(2) . .
K1A Mn1 O6 K2A 95.2(2) . .
O1 Mn1 O7 C6 -92.5(7) . .
O3 Mn1 O7 C6 -176.9(7) . .
N1 Mn1 O7 C6 3.1(8) . .
O6 Mn1 O7 C6 35(2) . .
N3 Mn1 O7 C6 96.2(7) . .
K1A Mn1 O7 C6 159.1(8) . .
O1 Mn1 O7 K1A 108.3(2) . .
O3 Mn1 O7 K1A 24.0(2) . .
N1 Mn1 O7 K1A -156.1(2) . .
O6 Mn1 O7 K1A -124(2) . .
N3 Mn1 O7 K1A -62.9(2) . .
O1 Mn1 O7 K3A 66.9(3) . 1_554
O3 Mn1 O7 K3A -17.4(3) . 1_554
N1 Mn1 O7 K3A 162.6(3) . 1_554
O6 Mn1 O7 K3A -165.8(19) . 1_554
N3 Mn1 O7 K3A -104.3(3) . 1_554
K1A Mn1 O7 K3A -41.4(2) . 1_554
O5 Mn2 O8 C6 164.8(4) . 3
O2 Mn2 O8 C6 -110.9(4) . 3
O4 Mn2 O8 C6 39(2) . 3
N2 Mn2 O8 C6 68.7(4) . 3
N4 Mn2 O8 C6 -25.9(4) . 3
K1B Mn2 O8 C6 -83.5(4) . 3
O5 Mn2 O8 K3A -50.6(4) . 1_554
O2 Mn2 O8 K3A 33.7(4) . 1_554
O4 Mn2 O8 K3A -176.2(18) . 1_554
N2 Mn2 O8 K3A -146.7(4) . 1_554
N4 Mn2 O8 K3A 118.7(4) . 1_554
K1B Mn2 O8 K3A 61.2(5) . 1_554
O5 Mn2 O8 K2B -16.4(3) . 1_554
O2 Mn2 O8 K2B 67.9(3) . 1_554
O4 Mn2 O8 K2B -142.0(19) . 1_554
N2 Mn2 O8 K2B -112.5(3) . 1_554
N4 Mn2 O8 K2B 153.0(3) . 1_554
K1B Mn2 O8 K2B 95.4(3) . 1_554
O2 C3 C4 C10 -4.5(7) . 1_554
O1 C3 C4 C10 174.8(5) . 1_554
K1B C3 C4 C10 55.6(6) . 1_554
O1 Mn1 N1 C1A -159.2(5) . .
O3 Mn1 N1 C1A 103.0(18) . .
O7 Mn1 N1 C1A 102.7(5) . .
O6 Mn1 N1 C1A -74.8(5) . .
N3 Mn1 N1 C1A -2.7(5) . .
K1A Mn1 N1 C1A 81.2(5) . .
O1 Mn1 N1 C1B 58.2(7) . .
O3 Mn1 N1 C1B -40(2) . .
O7 Mn1 N1 C1B -39.9(7) . .
O6 Mn1 N1 C1B 142.6(7) . .
N3 Mn1 N1 C1B -145.3(7) . .
K1A Mn1 N1 C1B -61.4(7) . .
Mn2 O4 C5 O6 130.7(6) . 2_664
K1B O4 C5 O6 -70.6(6) . 2_664
K3B O4 C5 O6 -32.9(5) 1_554 2_664
Mn2 O4 C5 C10 -48.0(10) . 2_664
K1B O4 C5 C10 110.7(5) . 2_664
K3B O4 C5 C10 148.5(5) 1_554 2_664
Mn2 O4 C5 K3B 163.6(7) . 1_554
K1B O4 C5 K3B -37.8(3) . 1_554
Mn2 O4 C5 K1B -158.7(9) . .
K3B O4 C5 K1B 37.8(3) 1_554 .
Mn1 O7 C6 O8 130.6(6) . 2
K1A O7 C6 O8 -70.8(6) . 2
K3A O7 C6 O8 -32.5(5) 1_554 2
Mn1 O7 C6 C9 -47.5(10) . 2
K1A O7 C6 C9 111.1(5) . 2
K3A O7 C6 C9 149.4(5) 1_554 2
Mn1 O7 C6 K3A 163.1(7) . 1_554
K1A O7 C6 K3A -38.3(2) . 1_554
Mn1 O7 C6 K1A -158.5(9) . .
K3A O7 C6 K1A 38.3(2) 1_554 .
Mn1 O3 C8 O5 48.4(8) . 1_556
K1A O3 C8 O5 -77.4(6) . 1_556
Mn1 O3 C8 C7 -132.0(5) . .
K1A O3 C8 C7 102.1(5) . .
Mn1 O3 C8 K1A 125.8(6) . .
C9 C7 C8 O5 174.6(5) . 1_556
C9 C7 C8 O3 -5.0(7) . .
C9 C7 C8 K1A 55.1(6) . .
C2A N2 C2B Cr1B 71(4) . .
Mn2 N2 C2B Cr1B -89(4) . .
C2B Cr1B C2B N2 -113(4) 2_655 .
C2B Cr1B C2B N2 -24(4) 3_665 .
C1B Cr1B C2B N2 -176(4) 1_655 .
C1B Cr1B C2B N2 155(4) 3 .
C1B Cr1B C2B N2 67(4) 2_665 .
C1B N1 C1A Cr1A 81(5) . .
Mn1 N1 C1A Cr1A -79(5) . .
C2A Cr1A C1A N1 56(5) 2_556 .
C2A Cr1A C1A N1 -132(5) 1_456 .
C2A Cr1A C1A N1 145(5) 3_566 .
C1A Cr1A C1A N1 -35(5) 3_455 .
C1A Cr1A C1A N1 -123(5) 2_565 .
Mn2 N4 C9 C7 -163.6(4) . .
Mn2 N4 C9 C6 -36.6(5) . 3
C8 C7 C9 N4 74.3(6) . .
C8 C7 C9 C6 -51.5(6) . 3
Mn1 N3 C10 C4 -164.0(4) . 1_556
Mn1 N3 C10 C5 -35.7(5) . 3_566
C2B N2 C2A Cr1A -49(5) . 1_654
Mn2 N2 C2A Cr1A 104(4) . 1_654
C1A N1 C1B Cr1B -50(4) . 1_455
Mn1 N1 C1B Cr1B 103(4) . 1_455
C6 O7 K1A K3A 64.5(4) . 1_554
Mn1 O7 K1A K3A -127.20(16) . 1_554
C6 O7 K1A O9A -115.5(4) . .
Mn1 O7 K1A O9A 52.80(16) . .
K3A O7 K1A O9A 179.999(3) 1_554 .
C6 O7 K1A O7 123.4(3) . 3
Mn1 O7 K1A O7 -68.3(3) . 3
K3A O7 K1A O7 58.9(2) 1_554 3
C6 O7 K1A O7 5.6(5) . 2
Mn1 O7 K1A O7 173.91(18) . 2
K3A O7 K1A O7 -58.9(2) 1_554 2
C6 O7 K1A O3 171.4(4) . .
Mn1 O7 K1A O3 -20.22(18) . .
K3A O7 K1A O3 106.98(14) 1_554 .
C6 O7 K1A O3 71.7(6) . 3
Mn1 O7 K1A O3 -119.9(4) . 3
K3A O7 K1A O3 7.3(4) 1_554 3
C6 O7 K1A O3 -40.6(4) . 2
Mn1 O7 K1A O3 127.7(2) . 2
K3A O7 K1A O3 -105.07(14) 1_554 2
Mn1 O7 K1A C6 168.3(5) . .
K3A O7 K1A C6 -64.5(4) 1_554 .
C6 O7 K1A C6 25.0(4) . 2
Mn1 O7 K1A C6 -166.62(18) . 2
K3A O7 K1A C6 -39.42(18) 1_554 2
C6 O7 K1A C6 125.3(4) . 3
Mn1 O7 K1A C6 -66.4(2) . 3
K3A O7 K1A C6 60.84(14) 1_554 3
C6 O7 K1A C8 177.0(4) . .
Mn1 O7 K1A C8 -14.6(2) . .
K3A O7 K1A C8 112.57(14) 1_554 .
C8 O3 K1A K3A -131.7(3) . 1_554
Mn1 O3 K1A K3A 84.46(14) . 1_554
C8 O3 K1A O9A 48.3(3) . .
Mn1 O3 K1A O9A -95.54(14) . .
C8 O3 K1A O7 -66.5(4) . 3
Mn1 O3 K1A O7 149.7(2) . 3
C8 O3 K1A O7 164.2(4) . .
Mn1 O3 K1A O7 20.40(19) . .
C8 O3 K1A O7 -138.6(4) . 2
Mn1 O3 K1A O7 77.6(5) . 2
C8 O3 K1A O3 -33.9(5) . 3
Mn1 O3 K1A O3 -177.7(2) . 3
C8 O3 K1A O3 130.5(4) . 2
Mn1 O3 K1A O3 -13.3(4) . 2
C8 O3 K1A C6 167.2(4) . .
Mn1 O3 K1A C6 23.4(2) . .
C8 O3 K1A C6 -96.1(5) . 2
Mn1 O3 K1A C6 120.1(4) . 2
C8 O3 K1A C6 -83.5(4) . 3
Mn1 O3 K1A C6 132.7(2) . 3
Mn1 O3 K1A C8 -143.8(4) . .
O8 C6 K1A K3A 20.7(3) 2 1_554
O7 C6 K1A K3A -106.9(4) . 1_554
C9 C6 K1A K3A 151.2(4) 2 1_554
O8 C6 K1A O9A -159.3(3) 2 .
O7 C6 K1A O9A 73.1(4) . .
C9 C6 K1A O9A -28.8(4) 2 .
K3A C6 K1A O9A 180.000(4) 1_554 .
O8 C6 K1A O7 63.1(4) 2 3
O7 C6 K1A O7 -64.5(3) . 3
C9 C6 K1A O7 -166.5(4) 2 3
K3A C6 K1A O7 42.3(2) 1_554 3
O8 C6 K1A O7 127.6(6) 2 .
C9 C6 K1A O7 -102.0(6) 2 .
K3A C6 K1A O7 106.9(4) 1_554 .
O8 C6 K1A O7 -47.1(4) 2 2
O7 C6 K1A O7 -174.7(5) . 2
C9 C6 K1A O7 83.3(4) 2 2
K3A C6 K1A O7 -67.84(16) 1_554 2
O8 C6 K1A O3 120.0(4) 2 .
O7 C6 K1A O3 -7.6(4) . .
C9 C6 K1A O3 -109.6(4) 2 .
K3A C6 K1A O3 99.25(16) 1_554 .
O8 C6 K1A O3 -20.3(6) 2 3
O7 C6 K1A O3 -147.9(5) . 3
C9 C6 K1A O3 110.1(6) 2 3
K3A C6 K1A O3 -41.1(4) 1_554 3
O8 C6 K1A O3 -102.0(4) 2 2
O7 C6 K1A O3 130.4(5) . 2
C9 C6 K1A O3 28.4(4) 2 2
K3A C6 K1A O3 -122.76(17) 1_554 2
O8 C6 K1A C6 -30.3(3) 2 2
O7 C6 K1A C6 -157.9(4) . 2
C9 C6 K1A C6 100.2(5) 2 2
K3A C6 K1A C6 -50.99(13) 1_554 2
O8 C6 K1A C6 71.7(3) 2 3
O7 C6 K1A C6 -55.9(4) . 3
C9 C6 K1A C6 -157.9(4) 2 3
K3A C6 K1A C6 50.98(13) 1_554 3
O8 C6 K1A C8 124.6(4) 2 .
O7 C6 K1A C8 -3.0(4) . .
C9 C6 K1A C8 -105.0(4) 2 .
K3A C6 K1A C8 103.87(17) 1_554 .
O5 C8 K1A K3A 175.6(3) 1_556 1_554
O3 C8 K1A K3A 51.5(4) . 1_554
C7 C8 K1A K3A -55.5(4) . 1_554
O5 C8 K1A O9A -4.4(3) 1_556 .
O3 C8 K1A O9A -128.5(4) . .
C7 C8 K1A O9A 124.5(4) . .
O5 C8 K1A O7 -132.8(4) 1_556 3
O3 C8 K1A O7 103.1(4) . 3
C7 C8 K1A O7 -4.0(4) . 3
O5 C8 K1A O7 110.1(4) 1_556 .
O3 C8 K1A O7 -14.1(3) . .
C7 C8 K1A O7 -121.1(4) . .
O5 C8 K1A O7 -106.8(13) 1_556 2
O3 C8 K1A O7 129.1(13) . 2
C7 C8 K1A O7 22.1(14) . 2
O5 C8 K1A O3 124.1(5) 1_556 .
C7 C8 K1A O3 -107.0(5) . .
O5 C8 K1A O3 -85.7(4) 1_556 3
O3 C8 K1A O3 150.2(4) . 3
C7 C8 K1A O3 43.2(4) . 3
O5 C8 K1A O3 62.3(5) 1_556 2
O3 C8 K1A O3 -61.8(4) . 2
C7 C8 K1A O3 -168.9(4) . 2
O5 C8 K1A C6 111.1(4) 1_556 .
O3 C8 K1A C6 -13.0(4) . .
C7 C8 K1A C6 -120.0(4) . .
O5 C8 K1A C6 -117.9(5) 1_556 2
O3 C8 K1A C6 117.9(6) . 2
C7 C8 K1A C6 10.9(7) . 2
O5 C8 K1A C6 -156.1(4) 1_556 3
O3 C8 K1A C6 79.7(4) . 3
C7 C8 K1A C6 -27.3(4) . 3
C5 O4 K1B K3B 64.4(4) . 1_554
Mn2 O4 K1B K3B -127.15(16) . 1_554
C5 O4 K1B O10B -115.6(4) . .
Mn2 O4 K1B O10B 52.85(16) . .
K3B O4 K1B O10B 179.999(3) 1_554 .
C5 O4 K1B O4 123.6(4) . 3_565
Mn2 O4 K1B O4 -68.0(4) . 3_565
K3B O4 K1B O4 59.2(3) 1_554 3_565
C5 O4 K1B O4 5.3(5) . 2_665
Mn2 O4 K1B O4 173.7(2) . 2_665
K3B O4 K1B O4 -59.2(3) 1_554 2_665
C5 O4 K1B O2 171.7(4) . .
Mn2 O4 K1B O2 -19.8(2) . .
K3B O4 K1B O2 107.34(17) 1_554 .
C5 O4 K1B O2 -41.1(4) . 2_665
Mn2 O4 K1B O2 127.4(2) . 2_665
K3B O4 K1B O2 -105.49(17) 1_554 2_665
C5 O4 K1B O2 71.8(6) . 3_565
Mn2 O4 K1B O2 -119.7(5) . 3_565
K3B O4 K1B O2 7.4(5) 1_554 3_565
C5 O4 K1B C5 125.4(4) . 3_565
Mn2 O4 K1B C5 -66.2(2) . 3_565
K3B O4 K1B C5 60.99(18) 1_554 3_565
Mn2 O4 K1B C5 168.4(5) . .
K3B O4 K1B C5 -64.4(4) 1_554 .
C5 O4 K1B C5 24.8(5) . 2_665
Mn2 O4 K1B C5 -166.8(2) . 2_665
K3B O4 K1B C5 -39.6(2) 1_554 2_665
C5 O4 K1B C3 177.1(4) . .
Mn2 O4 K1B C3 -14.5(2) . .
K3B O4 K1B C3 112.65(17) 1_554 .
C3 O2 K1B K3B -131.1(4) . 1_554
Mn2 O2 K1B K3B 84.03(15) . 1_554
C3 O2 K1B O10B 48.9(4) . .
Mn2 O2 K1B O10B -95.97(15) . .
C3 O2 K1B O4 -65.9(4) . 3_565
Mn2 O2 K1B O4 149.3(2) . 3_565
C3 O2 K1B O4 164.8(4) . .
Mn2 O2 K1B O4 19.9(2) . .
C3 O2 K1B O4 -138.1(5) . 2_665
Mn2 O2 K1B O4 77.1(5) . 2_665
C3 O2 K1B O2 130.3(4) . 2_665
Mn2 O2 K1B O2 -14.6(5) . 2_665
C3 O2 K1B O2 -32.5(6) . 3_565
Mn2 O2 K1B O2 -177.4(3) . 3_565
C3 O2 K1B C5 -83.0(4) . 3_565
Mn2 O2 K1B C5 132.1(2) . 3_565
C3 O2 K1B C5 167.7(4) . .
Mn2 O2 K1B C5 22.9(2) . .
C3 O2 K1B C5 -94.7(7) . 2_665
Mn2 O2 K1B C5 120.5(5) . 2_665
Mn2 O2 K1B C3 -144.9(5) . .
O4 C5 K1B K3B -107.0(4) . 1_554
O6 C5 K1B K3B 20.9(3) 2_664 1_554
C10 C5 K1B K3B 150.8(4) 2_664 1_554
O4 C5 K1B O10B 73.0(4) . .
O6 C5 K1B O10B -159.1(3) 2_664 .
C10 C5 K1B O10B -29.2(4) 2_664 .
K3B C5 K1B O10B 179.999(3) 1_554 .
O4 C5 K1B O4 -64.4(3) . 3_565
O6 C5 K1B O4 63.4(4) 2_664 3_565
C10 C5 K1B O4 -166.7(4) 2_664 3_565
K3B C5 K1B O4 42.6(3) 1_554 3_565
O6 C5 K1B O4 127.9(6) 2_664 .
C10 C5 K1B O4 -102.2(6) 2_664 .
K3B C5 K1B O4 107.0(4) 1_554 .
O4 C5 K1B O4 -175.0(5) . 2_665
O6 C5 K1B O4 -47.1(4) 2_664 2_665
C10 C5 K1B O4 82.7(5) 2_664 2_665
K3B C5 K1B O4 -68.0(2) 1_554 2_665
O4 C5 K1B O2 -7.4(4) . .
O6 C5 K1B O2 120.5(4) 2_664 .
C10 C5 K1B O2 -109.6(4) 2_664 .
K3B C5 K1B O2 99.6(2) 1_554 .
O4 C5 K1B O2 129.8(5) . 2_665
O6 C5 K1B O2 -102.3(4) 2_664 2_665
C10 C5 K1B O2 27.6(4) 2_664 2_665
K3B C5 K1B O2 -123.16(18) 1_554 2_665
O4 C5 K1B O2 -148.9(7) . 3_565
O6 C5 K1B O2 -21.1(7) 2_664 3_565
C10 C5 K1B O2 108.8(7) 2_664 3_565
K3B C5 K1B O2 -41.9(5) 1_554 3_565
O4 C5 K1B C5 -55.9(4) . 3_565
O6 C5 K1B C5 72.0(3) 2_664 3_565
C10 C5 K1B C5 -158.1(4) 2_664 3_565
K3B C5 K1B C5 51.14(18) 1_554 3_565
O4 C5 K1B C5 -158.1(4) . 2_665
O6 C5 K1B C5 -30.3(4) 2_664 2_665
C10 C5 K1B C5 99.6(5) 2_664 2_665
K3B C5 K1B C5 -51.14(18) 1_554 2_665
O4 C5 K1B C3 -3.0(4) . .
O6 C5 K1B C3 124.9(4) 2_664 .
C10 C5 K1B C3 -105.2(4) 2_664 .
K3B C5 K1B C3 104.0(2) 1_554 .
O2 C3 K1B K3B 52.2(4) . 1_554
O1 C3 K1B K3B 175.8(3) . 1_554
C4 C3 K1B K3B -55.7(4) . 1_554
O2 C3 K1B O10B -127.8(4) . .
O1 C3 K1B O10B -4.2(3) . .
C4 C3 K1B O10B 124.3(4) . .
O2 C3 K1B O4 103.9(4) . 3_565
O1 C3 K1B O4 -132.5(4) . 3_565
C4 C3 K1B O4 -4.0(4) . 3_565
O2 C3 K1B O4 -13.5(4) . .
O1 C3 K1B O4 110.1(4) . .
C4 C3 K1B O4 -121.5(4) . .
O2 C3 K1B O4 131.3(18) . 2_665
O1 C3 K1B O4 -105.1(17) . 2_665
C4 C3 K1B O4 23.4(19) . 2_665
O1 C3 K1B O2 123.6(6) . .
C4 C3 K1B O2 -107.9(6) . .
O2 C3 K1B O2 -61.8(4) . 2_665
O1 C3 K1B O2 61.8(5) . 2_665
C4 C3 K1B O2 -169.7(5) . 2_665
O2 C3 K1B O2 151.4(5) . 3_565
O1 C3 K1B O2 -84.9(4) . 3_565
C4 C3 K1B O2 43.5(5) . 3_565
O2 C3 K1B C5 80.5(4) . 3_565
O1 C3 K1B C5 -155.9(4) . 3_565
C4 C3 K1B C5 -27.5(4) . 3_565
O2 C3 K1B C5 -12.5(4) . .
O1 C3 K1B C5 111.1(4) . .
C4 C3 K1B C5 -120.4(4) . .
O2 C3 K1B C5 119.2(7) . 2_665
O1 C3 K1B C5 -117.2(6) . 2_665
C4 C3 K1B C5 11.2(8) . 2_665
C5 O6 K2A O10A -150.4(4) 3_566 .
Mn1 O6 K2A O10A 31.3(2) . .
K3B O6 K2A O10A 180.000(1) . .
C5 O6 K2A O6 -25.4(5) 3_566 3_565
Mn1 O6 K2A O6 156.2(2) . 3_565
K3B O6 K2A O6 -55.04(19) . 3_565
C5 O6 K2A O6 84.7(4) 3_566 2_665
Mn1 O6 K2A O6 -93.7(3) . 2_665
K3B O6 K2A O6 55.04(19) . 2_665
C5 O6 K3B K1B 23.7(3) 3_566 1_556
Mn1 O6 K3B K1B -125.0(4) . 1_556
K2A O6 K3B K1B 180.0 . 1_556
C5 O6 K3B O6 -88.3(5) 3_566 3_565
Mn1 O6 K3B O6 123.0(2) . 3_565
K2A O6 K3B O6 68.1(3) . 3_565
C5 O6 K3B O6 135.6(4) 3_566 2_665
Mn1 O6 K3B O6 -13.1(6) . 2_665
K2A O6 K3B O6 -68.1(3) . 2_665
C5 O6 K3B O4 91.6(4) 3_566 1_556
Mn1 O6 K3B O4 -57.1(5) . 1_556
K2A O6 K3B O4 -112.07(19) . 1_556
C5 O6 K3B O4 -16.5(3) 3_566 3_566
Mn1 O6 K3B O4 -165.2(4) . 3_566
K2A O6 K3B O4 139.86(16) . 3_566
C5 O6 K3B O4 -44.1(8) 3_566 2_666
Mn1 O6 K3B O4 167.2(5) . 2_666
K2A O6 K3B O4 112.2(7) . 2_666
C5 O6 K3B O10B -156.3(3) 3_566 .
Mn1 O6 K3B O10B 55.0(4) . .
K2A O6 K3B O10B 0.000(1) . .
Mn1 O6 K3B C5 -148.7(6) . 3_566
K2A O6 K3B C5 156.3(3) . 3_566
C5 O6 K3B C5 109.3(4) 3_566 1_556
Mn1 O6 K3B C5 -39.4(6) . 1_556
K2A O6 K3B C5 -94.4(3) . 1_556
C5 O6 K3B C5 -66.0(5) 3_566 2_666
Mn1 O6 K3B C5 145.3(3) . 2_666
K2A O6 K3B C5 90.3(4) . 2_666
K3A K1A O9A K3A 0(100) 1_554 .
O7 K1A O9A K3A 0(100) 3 .
O7 K1A O9A K3A 0(100) . .
O7 K1A O9A K3A 0(100) 2 .
O3 K1A O9A K3A 0(100) . .
O3 K1A O9A K3A 0(100) 3 .
O3 K1A O9A K3A 0(100) 2 .
C6 K1A O9A K3A 0(100) . .
C6 K1A O9A K3A 0(100) 2 .
C6 K1A O9A K3A 0(100) 3 .
C8 K1A O9A K3A 0(100) . .
K1A K3A O9A K1A 0(100) 1_556 .
O8 K3A O9A K1A 0(100) 1_556 .
O8 K3A O9A K1A 0(100) 2_556 .
O8 K3A O9A K1A 0(100) 3_556 .
O7 K3A O9A K1A 0(100) 3_556 .
O7 K3A O9A K1A 0(100) 1_556 .
O7 K3A O9A K1A 0(100) 2_556 .
C6 K3A O9A K1A 0(100) 1_556 .
C6 K3A O9A K1A 0(100) 2_556 .
C6 K3A O9A K1A 0(100) 3_556 .
K3B K1B O10B K3B 0(100) 1_554 .
O4 K1B O10B K3B 68(100) 3_565 .
O4 K1B O10B K3B -52(100) . .
O4 K1B O10B K3B -172(100) 2_665 .
O2 K1B O10B K3B 6(100) . .
O2 K1B O10B K3B -114(100) 2_665 .
O2 K1B O10B K3B 126(100) 3_565 .
C5 K1B O10B K3B 47(100) 3_565 .
C5 K1B O10B K3B -73(100) . .
C5 K1B O10B K3B 167(100) 2_665 .
C3 K1B O10B K3B 22(100) . .
K1B K3B O10B K1B 0(100) 1_556 .
O6 K3B O10B K1B -157(100) 3_565 .
O6 K3B O10B K1B -37(100) . .
O6 K3B O10B K1B 83(100) 2_665 .
O4 K3B O10B K1B 52(100) 1_556 .
O4 K3B O10B K1B -68(100) 3_566 .
O4 K3B O10B K1B 172(100) 2_666 .
C5 K3B O10B K1B -47(100) 3_566 .
C5 K3B O10B K1B 73(100) 1_556 .
C5 K3B O10B K1B -167(100) 2_666 .
