#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:36:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179927 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/22/7022261.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_7022261
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                 98.441(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.9095(17)
_cell_length_b                   15.6772(13)
_cell_length_c                   13.5492(15)
_cell_measurement_reflns_used    3026
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      26.570
_cell_measurement_theta_min      2.601
_cell_volume                     1451.8(4)
_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      163(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0840
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11331
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    3.310
_exptl_absorpt_correction_T_max  0.483
_exptl_absorpt_correction_T_min  0.412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.025(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         5417
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0559
_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)+(0.0699P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1190
_refine_ls_wR_factor_ref         0.1216
_reflns_number_gt                4511
_reflns_number_total             5417
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32171h.txt
_cod_data_source_block           1205w875
_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               7022261
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 0.28763(14) 0.33252(7) 0.90648(8) 0.0249(2) Uani 1 1 d .
P1 P -0.2178(3) 0.36936(12) 0.86731(12) 0.0267(4) Uani 1 1 d .
O1 O 0.2596(7) 0.4412(3) 0.8482(3) 0.0232(10) Uani 1 1 d .
O2 O 0.3180(7) 0.3755(3) 1.0388(4) 0.0329(11) Uani 1 1 d .
O3 O -0.0411(7) 0.3232(3) 0.9096(4) 0.0339(11) Uani 1 1 d .
O4 O -0.2079(8) 0.4659(4) 0.8922(4) 0.0366(12) Uani 1 1 d .
H4A H -0.1041 0.4763 0.8677 0.055 Uiso 1 1 d R
O5 O -0.4038(6) 0.3327(3) 0.8915(3) 0.0247(9) Uani 1 1 d .
O1W O 0.0958(14) 0.5353(8) 0.0129(6) 0.037(3) Uani 0.50 1 d P
H1X H 0.1454 0.5320 -0.0409 0.045 Uiso 0.50 1 d PR
H1Y H 0.1212 0.4964 0.0565 0.045 Uiso 0.50 1 d PR
O2W O 0.842(3) 0.1486(17) 0.0490(16) 0.059(6) Uani 0.30 1 d P
H2X H 0.7755 0.1862 0.0138 0.071 Uiso 0.30 1 d PR
H2Y H 0.8730 0.1670 0.1082 0.071 Uiso 0.30 1 d PR
O3W O 0.790(3) 0.2580(14) 0.1229(18) 0.028(5) Uani 0.20 1 d P
H3X H 0.7291 0.2442 0.1707 0.034 Uiso 0.20 1 d PR
H3Y H 0.7078 0.2692 0.0716 0.034 Uiso 0.20 1 d PR
N1 N 0.3162(9) 0.2129(4) 0.9536(4) 0.0303(13) Uani 1 1 d .
N2 N 0.2355(8) 0.2749(4) 0.7725(4) 0.0277(13) Uani 1 1 d .
C1 C 0.2829(11) 0.4627(5) 0.7571(6) 0.0331(16) Uani 1 1 d .
C2 C 0.3104(12) 0.5497(6) 0.7349(5) 0.0394(18) Uani 1 1 d .
H2 H 0.3253 0.5892 0.7867 0.047 Uiso 1 1 calc R
C3 C 0.3160(12) 0.5778(5) 0.6380(5) 0.0332(17) Uani 1 1 d .
H3 H 0.3215 0.6358 0.6241 0.040 Uiso 1 1 calc R
C4 C 0.3131(10) 0.5181(5) 0.5626(6) 0.0325(17) Uani 1 1 d .
C5 C 0.2870(11) 0.4343(5) 0.5830(5) 0.0333(16) Uani 1 1 d .
H5 H 0.2776 0.3961 0.5299 0.040 Uiso 1 1 calc R
C6 C 0.2736(10) 0.4017(5) 0.6753(5) 0.0291(15) Uani 1 1 d .
C7 C 0.2406(11) 0.3129(5) 0.6896(5) 0.0360(18) Uani 1 1 d .
H7 H 0.2208 0.2792 0.6325 0.043 Uiso 1 1 calc R
C8 C 0.1977(9) 0.1835(5) 0.7823(5) 0.0331(16) Uani 1 1 d .
H8 H 0.0669 0.1762 0.8009 0.040 Uiso 1 1 calc R
C9 C 0.2115(11) 0.1299(4) 0.6888(5) 0.0298(15) Uani 1 1 d .
H9A H 0.3368 0.1395 0.6665 0.036 Uiso 1 1 calc R
H9B H 0.1090 0.1467 0.6356 0.036 Uiso 1 1 calc R
C10 C 0.1894(12) 0.0346(4) 0.7138(5) 0.0357(18) Uani 1 1 d .
H10A H 0.0601 0.0249 0.7314 0.043 Uiso 1 1 calc R
H10B H 0.2014 0.0006 0.6552 0.043 Uiso 1 1 calc R
C11 C 0.3382(11) 0.0067(4) 0.7970(5) 0.0288(15) Uani 1 1 d .
H11A H 0.4671 0.0113 0.7772 0.035 Uiso 1 1 calc R
H11B H 0.3161 -0.0527 0.8120 0.035 Uiso 1 1 calc R
C12 C 0.3309(11) 0.0593(5) 0.8884(6) 0.0346(16) Uani 1 1 d .
H12A H 0.4353 0.0413 0.9400 0.042 Uiso 1 1 calc R
H12B H 0.2076 0.0489 0.9125 0.042 Uiso 1 1 calc R
C13 C 0.3510(10) 0.1537(5) 0.8706(5) 0.0297(15) Uani 1 1 d .
H13 H 0.4820 0.1647 0.8539 0.036 Uiso 1 1 calc R
C14 C 0.3131(10) 0.1865(6) 1.0460(6) 0.0346(16) Uani 1 1 d .
H14 H 0.3292 0.1285 1.0593 0.042 Uiso 1 1 calc R
C15 C 0.2870(11) 0.2411(6) 1.1255(6) 0.0359(18) Uani 1 1 d .
C16 C 0.2523(10) 0.2015(5) 1.2146(6) 0.0350(16) Uani 1 1 d .
H16 H 0.2461 0.1424 1.2180 0.042 Uiso 1 1 calc R
C17 C 0.2273(10) 0.2500(4) 1.2973(5) 0.0221(14) Uani 1 1 d .
C18 C 0.2173(10) 0.3390(5) 1.2934(5) 0.0300(15) Uani 1 1 d .
H18 H 0.1991 0.3711 1.3490 0.036 Uiso 1 1 calc R
C19 C 0.2357(10) 0.3772(4) 1.2039(4) 0.0238(13) Uani 1 1 d .
H19 H 0.2158 0.4358 1.1979 0.029 Uiso 1 1 calc R
C20 C 0.2835(11) 0.3316(5) 1.1195(5) 0.0337(15) Uani 1 1 d .
C21 C -0.2264(13) 0.3721(5) 0.7328(5) 0.0383(19) Uani 1 1 d .
C22 C -0.2028(10) 0.4461(4) 0.6751(5) 0.0264(14) Uani 1 1 d .
H22 H -0.1754 0.4971 0.7094 0.032 Uiso 1 1 calc R
C23 C -0.2169(10) 0.4487(5) 0.5742(6) 0.0291(16) Uani 1 1 d .
H23 H -0.2083 0.4996 0.5398 0.035 Uiso 1 1 calc R
C24 C -0.2461(12) 0.3677(5) 0.5233(6) 0.0385(19) Uani 1 1 d .
H24 H -0.2496 0.3658 0.4545 0.046 Uiso 1 1 calc R
C25 C -0.2692(14) 0.2923(5) 0.5752(6) 0.0385(19) Uani 1 1 d .
H25 H -0.2897 0.2404 0.5421 0.046 Uiso 1 1 calc R
C26 C -0.2607(11) 0.2975(5) 0.6746(5) 0.0311(15) Uani 1 1 d .
Br1 Br 0.34115(11) 0.55241(4) 0.43139(5) 0.03203(18) Uani 1 1 d .
Br2 Br 0.18952(12) 0.19448(5) 1.41786(5) 0.0368(2) Uani 1 1 d .
F1 F -0.2893(7) 0.2231(3) 0.7259(3) 0.0385(10) 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
O1 Mn1 O2 93.8(2) . .
O1 Mn1 N1 174.0(2) . .
O2 Mn1 N1 92.3(2) . .
O1 Mn1 N2 92.0(2) . .
O2 Mn1 N2 172.7(3) . .
N1 Mn1 N2 82.1(2) . .
O1 Mn1 O5 90.07(19) . 1_655
O2 Mn1 O5 96.54(19) . 1_655
N1 Mn1 O5 88.8(2) . 1_655
N2 Mn1 O5 88.0(2) . 1_655
O1 Mn1 O3 91.4(2) . .
O2 Mn1 O3 88.7(2) . .
N1 Mn1 O3 89.2(2) . .
N2 Mn1 O3 86.6(2) . .
O5 Mn1 O3 174.45(19) 1_655 .
O3 P1 O5 114.9(3) . .
O3 P1 O4 113.0(3) . .
O5 P1 O4 109.9(3) . .
O3 P1 C21 108.0(4) . .
O5 P1 C21 109.2(3) . .
O4 P1 C21 100.9(3) . .
O3 P1 H4A 96.8 . .
O5 P1 H4A 136.8 . .
O4 P1 H4A 27.1 . .
C21 P1 H4A 86.1 . .
C1 O1 Mn1 127.6(4) . .
C20 O2 Mn1 125.4(5) . .
P1 O3 Mn1 137.5(3) . .
P1 O4 H4A 96.6 . .
P1 O5 Mn1 156.0(3) . 1_455
H1X O1W H1Y 118.9 . .
H2X O2W H2Y 109.5 . .
H3X O3W H3Y 109.5 . .
C14 N1 C13 122.8(6) . .
C14 N1 Mn1 126.0(5) . .
C13 N1 Mn1 111.2(4) . .
C7 N2 C8 124.4(6) . .
C7 N2 Mn1 124.0(5) . .
C8 N2 Mn1 111.6(4) . .
O1 C1 C2 119.1(7) . .
O1 C1 C6 123.2(7) . .
C2 C1 C6 117.6(7) . .
C3 C2 C1 121.9(7) . .
C3 C2 H2 119.0 . .
C1 C2 H2 119.0 . .
C4 C3 C2 118.8(7) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
C5 C4 C3 119.5(7) . .
C5 C4 Br1 119.9(6) . .
C3 C4 Br1 120.5(6) . .
C4 C5 C6 125.1(7) . .
C4 C5 H5 117.4 . .
C6 C5 H5 117.4 . .
C5 C6 C7 121.5(7) . .
C5 C6 C1 116.6(7) . .
C7 C6 C1 121.8(7) . .
N2 C7 C6 126.9(7) . .
N2 C7 H7 116.6 . .
C6 C7 H7 116.6 . .
N2 C8 C9 115.2(6) . .
N2 C8 C13 104.7(6) . .
C9 C8 C13 110.8(6) . .
N2 C8 H8 108.6 . .
C9 C8 H8 108.6 . .
C13 C8 H8 108.6 . .
C8 C9 C10 109.2(5) . .
C8 C9 H9A 109.8 . .
C10 C9 H9A 109.8 . .
C8 C9 H9B 109.8 . .
C10 C9 H9B 109.8 . .
H9A C9 H9B 108.3 . .
C11 C10 C9 112.0(6) . .
C11 C10 H10A 109.2 . .
C9 C10 H10A 109.2 . .
C11 C10 H10B 109.2 . .
C9 C10 H10B 109.2 . .
H10A C10 H10B 107.9 . .
C10 C11 C12 111.4(6) . .
C10 C11 H11A 109.4 . .
C12 C11 H11A 109.4 . .
C10 C11 H11B 109.4 . .
C12 C11 H11B 109.4 . .
H11A C11 H11B 108.0 . .
C11 C12 C13 113.2(6) . .
C11 C12 H12A 108.9 . .
C13 C12 H12A 108.9 . .
C11 C12 H12B 108.9 . .
C13 C12 H12B 108.9 . .
H12A C12 H12B 107.7 . .
N1 C13 C12 117.2(6) . .
N1 C13 C8 103.0(6) . .
C12 C13 C8 110.5(6) . .
N1 C13 H13 108.6 . .
C12 C13 H13 108.6 . .
C8 C13 H13 108.6 . .
N1 C14 C15 123.7(8) . .
N1 C14 H14 118.1 . .
C15 C14 H14 118.1 . .
C14 C15 C16 116.4(8) . .
C14 C15 C20 124.5(8) . .
C16 C15 C20 119.0(7) . .
C17 C16 C15 120.6(7) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C16 C17 C18 121.9(7) . .
C16 C17 Br2 119.5(5) . .
C18 C17 Br2 118.5(5) . .
C19 C18 C17 117.3(6) . .
C19 C18 H18 121.4 . .
C17 C18 H18 121.4 . .
C18 C19 C20 123.3(7) . .
C18 C19 H19 118.3 . .
C20 C19 H19 118.3 . .
O2 C20 C15 123.7(7) . .
O2 C20 C19 119.0(7) . .
C15 C20 C19 117.3(7) . .
C26 C21 C22 113.1(6) . .
C26 C21 P1 121.3(6) . .
C22 C21 P1 125.6(6) . .
C23 C22 C21 125.6(7) . .
C23 C22 H22 117.2 . .
C21 C22 H22 117.2 . .
C22 C23 C24 116.0(7) . .
C22 C23 H23 122.0 . .
C24 C23 H23 122.0 . .
C25 C24 C23 121.5(7) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C26 C25 C24 117.6(7) . .
C26 C25 H25 121.2 . .
C24 C25 H25 121.2 . .
C25 C26 F1 117.6(6) . .
C25 C26 C21 126.1(7) . .
F1 C26 C21 116.2(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 1.876(4) .
Mn1 O2 1.898(5) .
Mn1 N1 1.981(6) .
Mn1 N2 2.013(6) .
Mn1 O5 2.171(4) 1_655
Mn1 O3 2.283(5) .
P1 O3 1.462(5) .
P1 O5 1.487(5) .
P1 O4 1.549(6) .
P1 C21 1.815(7) .
P1 H4A 1.8508 .
O1 C1 1.312(9) .
O2 C20 1.342(9) .
O4 H4A 0.8495 .
O5 Mn1 2.171(4) 1_455
O1W H1X 0.8514 .
O1W H1Y 0.8499 .
O2W H2X 0.8500 .
O2W H2Y 0.8501 .
O3W H3X 0.8499 .
O3W H3Y 0.8474 .
N1 C14 1.322(10) .
N1 C13 1.505(9) .
N2 C7 1.277(9) .
N2 C8 1.466(10) .
C1 C2 1.415(12) .
C1 C6 1.459(11) .
C2 C3 1.392(11) .
C2 H2 0.9300 .
C3 C4 1.383(10) .
C3 H3 0.9300 .
C4 C5 1.360(11) .
C4 Br1 1.895(8) .
C5 C6 1.367(10) .
C5 H5 0.9300 .
C6 C7 1.428(10) .
C7 H7 0.9300 .
C8 C9 1.534(10) .
C8 C13 1.548(10) .
C8 H8 0.9800 .
C9 C10 1.545(10) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.476(11) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.495(10) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.509(11) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13 0.9800 .
C14 C15 1.408(11) .
C14 H14 0.9300 .
C15 C16 1.409(12) .
C15 C20 1.421(12) .
C16 C17 1.385(10) .
C16 H16 0.9300 .
C17 C18 1.397(10) .
C17 Br2 1.902(6) .
C18 C19 1.376(10) .
C18 H18 0.9300 .
C19 C20 1.428(10) .
C19 H19 0.9300 .
C21 C26 1.412(10) .
C21 C22 1.421(10) .
C22 C23 1.357(10) .
C22 H22 0.9300 .
C23 C24 1.444(10) .
C23 H23 0.9300 .
C24 C25 1.397(10) .
C24 H24 0.9300 .
C25 C26 1.341(11) .
C25 H25 0.9300 .
C26 F1 1.386(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 160.6(6) . .
N1 Mn1 O1 C1 -15(3) . .
N2 Mn1 O1 C1 -24.0(6) . .
O5 Mn1 O1 C1 64.0(6) 1_655 .
O3 Mn1 O1 C1 -110.6(6) . .
O1 Mn1 O2 C20 157.4(6) . .
N1 Mn1 O2 C20 -23.0(6) . .
N2 Mn1 O2 C20 16(2) . .
O5 Mn1 O2 C20 -112.1(6) 1_655 .
O3 Mn1 O2 C20 66.1(6) . .
O5 P1 O3 Mn1 177.9(4) . .
O4 P1 O3 Mn1 -54.9(5) . .
C21 P1 O3 Mn1 55.8(6) . .
O1 Mn1 O3 P1 11.8(5) . .
O2 Mn1 O3 P1 105.6(5) . .
N1 Mn1 O3 P1 -162.1(5) . .
N2 Mn1 O3 P1 -80.0(5) . .
O5 Mn1 O3 P1 -93(2) 1_655 .
O3 P1 O5 Mn1 162.8(6) . 1_455
O4 P1 O5 Mn1 34.0(7) . 1_455
C21 P1 O5 Mn1 -75.8(7) . 1_455
O1 Mn1 N1 C14 -172.4(19) . .
O2 Mn1 N1 C14 11.8(6) . .
N2 Mn1 N1 C14 -163.6(6) . .
O5 Mn1 N1 C14 108.3(6) 1_655 .
O3 Mn1 N1 C14 -76.9(6) . .
O1 Mn1 N1 C13 10(3) . .
O2 Mn1 N1 C13 -165.9(5) . .
N2 Mn1 N1 C13 18.7(5) . .
O5 Mn1 N1 C13 -69.4(5) 1_655 .
O3 Mn1 N1 C13 105.5(5) . .
O1 Mn1 N2 C7 15.2(6) . .
O2 Mn1 N2 C7 156.9(16) . .
N1 Mn1 N2 C7 -163.9(7) . .
O5 Mn1 N2 C7 -74.8(6) 1_655 .
O3 Mn1 N2 C7 106.5(6) . .
O1 Mn1 N2 C8 -166.7(4) . .
O2 Mn1 N2 C8 -25(2) . .
N1 Mn1 N2 C8 14.2(4) . .
O5 Mn1 N2 C8 103.3(4) 1_655 .
O3 Mn1 N2 C8 -75.4(4) . .
Mn1 O1 C1 C2 -162.2(6) . .
Mn1 O1 C1 C6 20.6(10) . .
O1 C1 C2 C3 -173.3(7) . .
C6 C1 C2 C3 4.1(12) . .
C1 C2 C3 C4 -6.2(12) . .
C2 C3 C4 C5 6.0(11) . .
C2 C3 C4 Br1 -175.0(6) . .
C3 C4 C5 C6 -3.9(12) . .
Br1 C4 C5 C6 177.0(6) . .
C4 C5 C6 C7 178.2(7) . .
C4 C5 C6 C1 1.7(11) . .
O1 C1 C6 C5 175.6(7) . .
C2 C1 C6 C5 -1.7(10) . .
O1 C1 C6 C7 -0.9(11) . .
C2 C1 C6 C7 -178.2(8) . .
C8 N2 C7 C6 178.9(7) . .
Mn1 N2 C7 C6 -3.2(12) . .
C5 C6 C7 N2 176.1(8) . .
C1 C6 C7 N2 -7.6(13) . .
C7 N2 C8 C9 13.9(10) . .
Mn1 N2 C8 C9 -164.2(5) . .
C7 N2 C8 C13 135.9(7) . .
Mn1 N2 C8 C13 -42.2(6) . .
N2 C8 C9 C10 174.2(6) . .
C13 C8 C9 C10 55.6(8) . .
C8 C9 C10 C11 -57.5(8) . .
C9 C10 C11 C12 56.8(7) . .
C10 C11 C12 C13 -55.4(8) . .
C14 N1 C13 C12 15.6(10) . .
Mn1 N1 C13 C12 -166.7(5) . .
C14 N1 C13 C8 137.1(7) . .
Mn1 N1 C13 C8 -45.2(6) . .
C11 C12 C13 N1 171.3(6) . .
C11 C12 C13 C8 53.7(8) . .
N2 C8 C13 N1 54.9(6) . .
C9 C8 C13 N1 179.7(5) . .
N2 C8 C13 C12 -179.1(5) . .
C9 C8 C13 C12 -54.3(8) . .
C13 N1 C14 C15 177.9(7) . .
Mn1 N1 C14 C15 0.5(10) . .
N1 C14 C15 C16 169.0(7) . .
N1 C14 C15 C20 -7.7(12) . .
C14 C15 C16 C17 179.2(7) . .
C20 C15 C16 C17 -4.0(11) . .
C15 C16 C17 C18 6.0(11) . .
C15 C16 C17 Br2 -177.9(5) . .
C16 C17 C18 C19 -0.7(10) . .
Br2 C17 C18 C19 -176.9(5) . .
C17 C18 C19 C20 -6.6(11) . .
Mn1 O2 C20 C15 23.2(10) . .
Mn1 O2 C20 C19 -155.1(5) . .
C14 C15 C20 O2 -4.6(12) . .
C16 C15 C20 O2 178.8(7) . .
C14 C15 C20 C19 173.7(7) . .
C16 C15 C20 C19 -2.8(10) . .
C18 C19 C20 O2 -173.2(7) . .
C18 C19 C20 C15 8.3(11) . .
O3 P1 C21 C26 69.2(8) . .
O5 P1 C21 C26 -56.4(8) . .
O4 P1 C21 C26 -172.1(7) . .
O3 P1 C21 C22 -111.5(7) . .
O5 P1 C21 C22 123.0(7) . .
O4 P1 C21 C22 7.2(8) . .
C26 C21 C22 C23 2.1(12) . .
P1 C21 C22 C23 -177.3(6) . .
C21 C22 C23 C24 -4.1(11) . .
C22 C23 C24 C25 3.4(12) . .
C23 C24 C25 C26 -0.9(13) . .
C24 C25 C26 F1 178.2(7) . .
C24 C25 C26 C21 -1.4(14) . .
C22 C21 C26 C25 0.9(13) . .
P1 C21 C26 C25 -179.7(7) . .
C22 C21 C26 F1 -178.7(6) . .
P1 C21 C26 F1 0.7(10) . .
