#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:36:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179927 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/22/7022260.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_7022260
loop_
_publ_author_name
'Wang, Ting-Ting'
'Bao, Song-Song'
'Huang, Jian'
'Li, Yi-Zhi'
'Zheng, Li-Min'
_publ_section_title
;
 Chiral one-dimensional O-P-O bridged Mn(III)-Schiff base complexes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1842
_journal_page_last               1847
_journal_paper_doi               10.1039/c2dt32171h
_journal_volume                  42
_journal_year                    2013
_chemical_absolute_configuration unk
_chemical_formula_moiety
'C26 H23 Br2 F Mn N2 O5 P, H O0.50, 1.3(H0.40 O0.20)'
_chemical_formula_sum            'C26 H25 Br2 F Mn N2 O6 P'
_chemical_formula_weight         726.21
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 98.2480(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.9205(7)
_cell_length_b                   15.7116(16)
_cell_length_c                   13.5636(14)
_cell_measurement_reflns_used    7209
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.497
_cell_measurement_theta_min      2.591
_cell_volume                     1459.5(3)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SMART (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0727
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11193
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    3.293
_exptl_absorpt_correction_T_max  0.454
_exptl_absorpt_correction_T_min  0.387
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.427
_refine_diff_density_min         -0.640
_refine_diff_density_rms         0.100
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.034(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         5595
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0584
_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)+(0.0574P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1171
_reflns_number_gt                4711
_reflns_number_total             5595
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32171h.txt
_cod_data_source_block           1102w99
_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.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7022260
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Mn1 Mn 0.71187(15) 0.66779(7) 0.09331(8) 0.0334(2) Uani 1 1 d .
P1 P 1.2166(3) 0.63050(12) 0.13257(14) 0.0350(4) Uani 1 1 d .
O1 O 0.7404(7) 0.5572(3) 0.1515(3) 0.0349(11) Uani 1 1 d .
O2 O 0.6836(7) 0.6259(3) -0.0397(4) 0.0390(11) Uani 1 1 d .
O3 O 1.0399(7) 0.6783(3) 0.0892(4) 0.0394(11) Uani 1 1 d .
O4 O 1.2096(7) 0.5410(3) 0.1013(4) 0.0408(12) Uani 1 1 d .
H4A H 1.2048 0.5321 0.0391 0.049 Uiso 1 1 d R
O5 O 1.4038(7) 0.6676(3) 0.1082(3) 0.0354(10) Uani 1 1 d .
O1W O 0.9051(12) 0.4658(6) 0.9864(6) 0.035(2) Uani 0.50 1 d P
H1X H 0.8655 0.4811 1.0402 0.042 Uiso 0.50 1 d PR
H1Y H 0.8797 0.5047 0.9428 0.042 Uiso 0.50 1 d PR
O2W O 0.155(2) 0.8568(11) 0.9535(12) 0.039(4) Uani 0.30 1 d P
H2X H 0.2220 0.8192 0.9886 0.047 Uiso 0.30 1 d PR
H2Y H 0.1245 0.8384 0.8942 0.047 Uiso 0.30 1 d PR
O3W O 0.207(4) 0.7414(15) 0.8778(18) 0.038(6) Uani 0.20 1 d P
H3X H 0.2678 0.7552 0.8300 0.046 Uiso 0.20 1 d PR
H3Y H 0.2890 0.7302 0.9291 0.046 Uiso 0.20 1 d PR
N1 N 0.6820(9) 0.7880(4) 0.0466(4) 0.0370(13) Uani 1 1 d .
N2 N 0.7630(8) 0.7259(4) 0.2274(5) 0.0366(13) Uani 1 1 d .
C1 C 0.7155(10) 0.5381(5) 0.2412(6) 0.0367(16) Uani 1 1 d .
C2 C 0.6903(11) 0.4473(6) 0.2642(5) 0.0430(16) Uani 1 1 d .
H2 H 0.6810 0.4071 0.2134 0.052 Uiso 1 1 calc R
C3 C 0.6806(10) 0.4216(4) 0.3610(5) 0.0326(14) Uani 1 1 d .
H3 H 0.6711 0.3642 0.3759 0.039 Uiso 1 1 calc R
C4 C 0.6853(10) 0.4845(5) 0.4383(6) 0.0388(16) Uani 1 1 d .
C5 C 0.7104(12) 0.5668(5) 0.4182(6) 0.0446(18) Uani 1 1 d .
H5 H 0.7182 0.6055 0.4705 0.054 Uiso 1 1 calc R
C6 C 0.7256(10) 0.5976(5) 0.3239(5) 0.0366(16) Uani 1 1 d .
C7 C 0.7574(10) 0.6889(4) 0.3098(6) 0.0392(17) Uani 1 1 d .
H7 H 0.7750 0.7227 0.3667 0.047 Uiso 1 1 calc R
C8 C 0.8006(10) 0.8159(5) 0.2161(5) 0.0408(16) Uani 1 1 d .
H8 H 0.9290 0.8234 0.1948 0.049 Uiso 1 1 calc R
C9 C 0.7896(11) 0.8696(4) 0.3109(5) 0.0370(15) Uani 1 1 d .
H9A H 0.8939 0.8530 0.3629 0.044 Uiso 1 1 calc R
H9B H 0.6661 0.8593 0.3348 0.044 Uiso 1 1 calc R
C10 C 0.8085(12) 0.9659(4) 0.2871(5) 0.0415(17) Uani 1 1 d .
H10A H 0.7901 0.9993 0.3452 0.050 Uiso 1 1 calc R
H10B H 0.9388 0.9773 0.2718 0.050 Uiso 1 1 calc R
C11 C 0.6630(10) 0.9918(4) 0.2019(5) 0.0334(14) Uani 1 1 d .
H11A H 0.6898 1.0493 0.1816 0.040 Uiso 1 1 calc R
H11B H 0.5331 0.9906 0.2208 0.040 Uiso 1 1 calc R
C12 C 0.6746(9) 0.9299(4) 0.1156(6) 0.0349(16) Uani 1 1 d .
H12A H 0.5797 0.9485 0.0601 0.042 Uiso 1 1 calc R
H12B H 0.8025 0.9366 0.0952 0.042 Uiso 1 1 calc R
C13 C 0.6426(11) 0.8346(5) 0.1296(5) 0.0394(16) Uani 1 1 d .
H13 H 0.5120 0.8225 0.1461 0.047 Uiso 1 1 calc R
C14 C 0.6861(9) 0.8131(5) -0.0446(5) 0.0394(16) Uani 1 1 d .
H14 H 0.6684 0.8708 -0.0583 0.047 Uiso 1 1 calc R
C15 C 0.7157(10) 0.7587(5) -0.1247(5) 0.0371(16) Uani 1 1 d .
C16 C 0.7411(11) 0.7991(5) -0.2159(5) 0.0410(16) Uani 1 1 d .
H16 H 0.7363 0.8582 -0.2208 0.049 Uiso 1 1 calc R
C17 C 0.7733(10) 0.7505(5) -0.2981(6) 0.0369(16) Uani 1 1 d .
C18 C 0.7863(9) 0.6634(5) -0.2913(5) 0.0328(14) Uani 1 1 d .
H18 H 0.8113 0.6318 -0.3460 0.039 Uiso 1 1 calc R
C19 C 0.7621(10) 0.6219(5) -0.2027(5) 0.0341(14) Uani 1 1 d .
H19 H 0.7768 0.5631 -0.1983 0.041 Uiso 1 1 calc R
C20 C 0.7155(11) 0.6682(5) -0.1197(5) 0.0416(16) Uani 1 1 d .
C21 C 1.2279(12) 0.6280(5) 0.2686(5) 0.0425(17) Uani 1 1 d .
C22 C 1.2052(10) 0.5552(4) 0.3246(5) 0.0306(13) Uani 1 1 d .
H22 H 1.1847 0.5036 0.2911 0.037 Uiso 1 1 calc R
C23 C 1.2109(10) 0.5548(4) 0.4232(5) 0.0335(15) Uani 1 1 d .
H23 H 1.1930 0.5045 0.4569 0.040 Uiso 1 1 calc R
C24 C 1.2449(12) 0.6325(4) 0.4759(6) 0.0427(17) Uani 1 1 d .
H24 H 1.2499 0.6330 0.5448 0.051 Uiso 1 1 calc R
C25 C 1.2711(11) 0.7090(5) 0.4255(6) 0.0387(16) Uani 1 1 d .
H25 H 1.2942 0.7604 0.4592 0.046 Uiso 1 1 calc R
C26 C 1.2605(10) 0.7034(5) 0.3230(5) 0.0365(15) Uani 1 1 d .
Br1 Br 0.65926(10) 0.44751(4) 0.56863(5) 0.03838(17) Uani 1 1 d .
Br2 Br 0.81062(11) 0.80521(5) -0.41797(5) 0.04057(19) Uani 1 1 d .
F1 F 1.2866(6) 0.7769(2) 0.2739(3) 0.0404(9) Uani 1 1 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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Br Br -0.2901 2.4595 '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
O2 Mn1 O1 93.9(2) . .
O2 Mn1 N1 92.0(2) . .
O1 Mn1 N1 174.1(2) . .
O2 Mn1 N2 172.0(2) . .
O1 Mn1 N2 92.6(2) . .
N1 Mn1 N2 81.7(2) . .
O2 Mn1 O5 96.83(18) . 1_455
O1 Mn1 O5 90.3(2) . 1_455
N1 Mn1 O5 88.4(2) . 1_455
N2 Mn1 O5 88.0(2) . 1_455
O2 Mn1 O3 88.25(19) . .
O1 Mn1 O3 91.8(2) . .
N1 Mn1 O3 89.0(2) . .
N2 Mn1 O3 86.7(2) . .
O5 Mn1 O3 174.36(18) 1_455 .
O4 P1 O3 112.3(3) . .
O4 P1 O5 107.6(3) . .
O3 P1 O5 113.9(3) . .
O4 P1 C21 105.3(3) . .
O3 P1 C21 108.9(3) . .
O5 P1 C21 108.4(3) . .
C1 O1 Mn1 125.7(4) . .
C20 O2 Mn1 126.8(5) . .
P1 O3 Mn1 136.0(3) . .
P1 O4 H4A 116.0 . .
P1 O5 Mn1 155.8(3) . 1_655
H1X O1W H1Y 109.4 . .
H2X O2W H2Y 109.5 . .
H3X O3W H3Y 109.5 . .
C14 N1 C13 129.7(6) . .
C14 N1 Mn1 125.0(5) . .
C13 N1 Mn1 105.2(4) . .
C7 N2 C8 124.7(6) . .
C7 N2 Mn1 124.3(5) . .
C8 N2 Mn1 110.9(5) . .
O1 C1 C6 125.5(7) . .
O1 C1 C2 117.4(6) . .
C6 C1 C2 116.9(6) . .
C3 C2 C1 120.3(7) . .
C3 C2 H2 119.8 . .
C1 C2 H2 119.8 . .
C2 C3 C4 119.5(7) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 120.4(7) . .
C5 C4 Br1 121.3(6) . .
C3 C4 Br1 118.4(5) . .
C4 C5 C6 123.7(8) . .
C4 C5 H5 118.1 . .
C6 C5 H5 118.1 . .
C5 C6 C1 119.0(7) . .
C5 C6 C7 119.6(7) . .
C1 C6 C7 121.3(6) . .
N2 C7 C6 126.0(7) . .
N2 C7 H7 117.0 . .
C6 C7 H7 117.0 . .
N2 C8 C13 98.7(6) . .
N2 C8 C9 114.4(6) . .
C13 C8 C9 114.9(6) . .
N2 C8 H8 109.5 . .
C13 C8 H8 109.5 . .
C9 C8 H8 109.5 . .
C8 C9 C10 110.0(6) . .
C8 C9 H9A 109.7 . .
C10 C9 H9A 109.7 . .
C8 C9 H9B 109.7 . .
C10 C9 H9B 109.7 . .
H9A C9 H9B 108.2 . .
C11 C10 C9 111.2(6) . .
C11 C10 H10A 109.4 . .
C9 C10 H10A 109.4 . .
C11 C10 H10B 109.4 . .
C9 C10 H10B 109.4 . .
H10A C10 H10B 108.0 . .
C10 C11 C12 108.5(5) . .
C10 C11 H11A 110.0 . .
C12 C11 H11A 110.0 . .
C10 C11 H11B 110.0 . .
C12 C11 H11B 110.0 . .
H11A C11 H11B 108.4 . .
C13 C12 C11 120.1(6) . .
C13 C12 H12A 107.3 . .
C11 C12 H12A 107.3 . .
C13 C12 H12B 107.3 . .
C11 C12 H12B 107.3 . .
H12A C12 H12B 106.9 . .
N1 C13 C8 108.6(6) . .
N1 C13 C12 111.2(6) . .
C8 C13 C12 100.7(6) . .
N1 C13 H13 111.9 . .
C8 C13 H13 111.9 . .
C12 C13 H13 111.9 . .
N1 C14 C15 124.8(7) . .
N1 C14 H14 117.6 . .
C15 C14 H14 117.6 . .
C14 C15 C16 116.5(7) . .
C14 C15 C20 124.3(7) . .
C16 C15 C20 119.2(7) . .
C17 C16 C15 120.3(7) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C18 C17 C16 120.5(7) . .
C18 C17 Br2 119.7(6) . .
C16 C17 Br2 119.7(5) . .
C17 C18 C19 120.5(7) . .
C17 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C18 C19 C20 120.8(7) . .
C18 C19 H19 119.6 . .
C20 C19 H19 119.6 . .
O2 C20 C19 118.6(7) . .
O2 C20 C15 123.0(6) . .
C19 C20 C15 118.3(7) . .
C22 C21 C26 115.5(6) . .
C22 C21 P1 125.0(6) . .
C26 C21 P1 119.5(6) . .
C23 C22 C21 124.1(7) . .
C23 C22 H22 118.0 . .
C21 C22 H22 118.0 . .
C22 C23 C24 118.8(6) . .
C22 C23 H23 120.6 . .
C24 C23 H23 120.6 . .
C25 C24 C23 121.0(7) . .
C25 C24 H24 119.5 . .
C23 C24 H24 119.5 . .
C26 C25 C24 116.2(7) . .
C26 C25 H25 121.9 . .
C24 C25 H25 121.9 . .
F1 C26 C25 116.5(6) . .
F1 C26 C21 119.0(6) . .
C25 C26 C21 124.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2 1.904(5) .
Mn1 O1 1.907(5) .
Mn1 N1 1.994(6) .
Mn1 N2 2.020(6) .
Mn1 O5 2.170(5) 1_455
Mn1 O3 2.285(5) .
P1 O4 1.468(5) .
P1 O3 1.482(5) .
P1 O5 1.500(5) .
P1 C21 1.836(8) .
O1 C1 1.288(9) .
O2 C20 1.319(9) .
O4 H4A 0.8510 .
O5 Mn1 2.170(5) 1_655
O1W H1X 0.8504 .
O1W H1Y 0.8517 .
O2W H2X 0.8524 .
O2W H2Y 0.8518 .
O3W H3X 0.8500 .
O3W H3Y 0.8500 .
N1 C14 1.302(9) .
N1 C13 1.403(9) .
N2 C7 1.266(9) .
N2 C8 1.449(10) .
C1 C6 1.454(10) .
C1 C2 1.477(11) .
C2 C3 1.385(10) .
C2 H2 0.9300 .
C3 C4 1.437(10) .
C3 H3 0.9300 .
C4 C5 1.338(11) .
C4 Br1 1.894(7) .
C5 C6 1.386(10) .
C5 H5 0.9300 .
C6 C7 1.467(10) .
C7 H7 0.9300 .
C8 C13 1.514(10) .
C8 C9 1.549(10) .
C8 H8 0.9800 .
C9 C10 1.557(9) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.477(10) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.533(9) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.529(10) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13 0.9800 .
C14 C15 1.420(11) .
C14 H14 0.9300 .
C15 C16 1.424(10) .
C15 C20 1.424(12) .
C16 C17 1.395(11) .
C16 H16 0.9300 .
C17 C18 1.373(10) .
C17 Br2 1.889(7) .
C18 C19 1.398(9) .
C18 H18 0.9300 .
C19 C20 1.416(10) .
C19 H19 0.9300 .
C21 C22 1.395(10) .
C21 C26 1.397(11) .
C22 C23 1.332(9) .
C22 H22 0.9300 .
C23 C24 1.417(10) .
C23 H23 0.9300 .
C24 C25 1.406(10) .
C24 H24 0.9300 .
C25 C26 1.385(10) .
C25 H25 0.9300 .
C26 F1 1.357(8) .
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
O2 Mn1 O1 C1 -160.7(6) . .
N1 Mn1 O1 C1 13(3) . .
N2 Mn1 O1 C1 24.1(6) . .
O5 Mn1 O1 C1 -63.9(6) 1_455 .
O3 Mn1 O1 C1 110.9(6) . .
O1 Mn1 O2 C20 -157.9(6) . .
N1 Mn1 O2 C20 22.7(6) . .
N2 Mn1 O2 C20 -15(2) . .
O5 Mn1 O2 C20 111.3(6) 1_455 .
O3 Mn1 O2 C20 -66.2(6) . .
O4 P1 O3 Mn1 59.4(5) . .
O5 P1 O3 Mn1 -178.0(3) . .
C21 P1 O3 Mn1 -56.9(5) . .
O2 Mn1 O3 P1 -105.8(4) . .
O1 Mn1 O3 P1 -12.0(4) . .
N1 Mn1 O3 P1 162.2(4) . .
N2 Mn1 O3 P1 80.5(4) . .
O5 Mn1 O3 P1 100(2) 1_455 .
O4 P1 O5 Mn1 -37.7(7) . 1_655
O3 P1 O5 Mn1 -162.9(6) . 1_655
C21 P1 O5 Mn1 75.8(7) . 1_655
O2 Mn1 N1 C14 -11.8(6) . .
O1 Mn1 N1 C14 174(2) . .
N2 Mn1 N1 C14 163.3(6) . .
O5 Mn1 N1 C14 -108.5(6) 1_455 .
O3 Mn1 N1 C14 76.5(6) . .
O2 Mn1 N1 C13 164.0(5) . .
O1 Mn1 N1 C13 -10(3) . .
N2 Mn1 N1 C13 -20.9(4) . .
O5 Mn1 N1 C13 67.2(4) 1_455 .
O3 Mn1 N1 C13 -107.8(5) . .
O2 Mn1 N2 C7 -158.6(14) . .
O1 Mn1 N2 C7 -15.5(6) . .
N1 Mn1 N2 C7 163.4(6) . .
O5 Mn1 N2 C7 74.7(6) 1_455 .
O3 Mn1 N2 C7 -107.2(6) . .
O2 Mn1 N2 C8 23.2(19) . .
O1 Mn1 N2 C8 166.3(5) . .
N1 Mn1 N2 C8 -14.8(4) . .
O5 Mn1 N2 C8 -103.5(5) 1_455 .
O3 Mn1 N2 C8 74.7(4) . .
Mn1 O1 C1 C6 -21.8(10) . .
Mn1 O1 C1 C2 163.5(5) . .
O1 C1 C2 C3 174.2(7) . .
C6 C1 C2 C3 -1.1(11) . .
C1 C2 C3 C4 3.1(11) . .
C2 C3 C4 C5 -3.9(11) . .
C2 C3 C4 Br1 177.1(5) . .
C3 C4 C5 C6 2.6(12) . .
Br1 C4 C5 C6 -178.4(6) . .
C4 C5 C6 C1 -0.5(12) . .
C4 C5 C6 C7 -178.6(7) . .
O1 C1 C6 C5 -175.1(7) . .
C2 C1 C6 C5 -0.3(10) . .
O1 C1 C6 C7 3.0(11) . .
C2 C1 C6 C7 177.8(7) . .
C8 N2 C7 C6 -178.0(7) . .
Mn1 N2 C7 C6 4.1(11) . .
C5 C6 C7 N2 -175.8(7) . .
C1 C6 C7 N2 6.1(12) . .
C7 N2 C8 C13 -135.3(7) . .
Mn1 N2 C8 C13 42.9(6) . .
C7 N2 C8 C9 -12.9(10) . .
Mn1 N2 C8 C9 165.3(5) . .
N2 C8 C9 C10 -173.5(6) . .
C13 C8 C9 C10 -60.4(8) . .
C8 C9 C10 C11 54.1(8) . .
C9 C10 C11 C12 -50.8(7) . .
C10 C11 C12 C13 58.2(8) . .
C14 N1 C13 C8 -131.1(8) . .
Mn1 N1 C13 C8 53.4(7) . .
C14 N1 C13 C12 -21.2(11) . .
Mn1 N1 C13 C12 163.4(5) . .
N2 C8 C13 N1 -63.8(7) . .
C9 C8 C13 N1 174.1(6) . .
N2 C8 C13 C12 179.3(5) . .
C9 C8 C13 C12 57.2(7) . .
C11 C12 C13 N1 -173.0(6) . .
C11 C12 C13 C8 -58.0(8) . .
C13 N1 C14 C15 -175.7(7) . .
Mn1 N1 C14 C15 -1.0(10) . .
N1 C14 C15 C16 -172.0(7) . .
N1 C14 C15 C20 9.9(12) . .
C14 C15 C16 C17 179.2(7) . .
C20 C15 C16 C17 -2.5(11) . .
C15 C16 C17 C18 -1.8(11) . .
C15 C16 C17 Br2 -179.1(5) . .
C16 C17 C18 C19 1.8(11) . .
Br2 C17 C18 C19 179.0(5) . .
C17 C18 C19 C20 2.7(10) . .
Mn1 O2 C20 C19 155.6(5) . .
Mn1 O2 C20 C15 -21.0(10) . .
C18 C19 C20 O2 176.3(6) . .
C18 C19 C20 C15 -7.0(11) . .
C14 C15 C20 O2 1.4(12) . .
C16 C15 C20 O2 -176.7(7) . .
C14 C15 C20 C19 -175.1(7) . .
C16 C15 C20 C19 6.8(11) . .
O4 P1 C21 C22 -8.3(8) . .
O3 P1 C21 C22 112.4(7) . .
O5 P1 C21 C22 -123.2(7) . .
O4 P1 C21 C26 172.1(6) . .
O3 P1 C21 C26 -67.3(7) . .
O5 P1 C21 C26 57.1(7) . .
C26 C21 C22 C23 0.7(11) . .
P1 C21 C22 C23 -178.9(6) . .
C21 C22 C23 C24 -0.9(11) . .
C22 C23 C24 C25 0.4(12) . .
C23 C24 C25 C26 0.4(12) . .
C24 C25 C26 F1 -179.7(6) . .
C24 C25 C26 C21 -0.6(12) . .
C22 C21 C26 F1 179.2(6) . .
P1 C21 C26 F1 -1.2(10) . .
C22 C21 C26 C25 0.1(12) . .
P1 C21 C26 C25 179.8(6) . .
