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#$Date: 2021-12-02 11:21:06 +0200 (Thu, 02 Dec 2021) $
#$Revision: 270981 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/54/1565485.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_1565485
loop_
_publ_author_name
'Qian, Zhe'
'Zhang, Ying'
'Jia, Ai-Quan'
'Shi, Hua-Tian'
'Zhang, Qian-Feng'
_publ_section_title
;
 Syntheses, molecular structures, and spectroscopic properties of
 manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and
 bi-pyridine or salicylaldehyde ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119298
_journal_paper_doi               10.1016/j.ica.2019.119298
_journal_volume                  502
_journal_year                    2020
_chemical_formula_sum            'C64 H56 Cl2 Mn2 N2 O10 P4'
_chemical_formula_weight         1317.76
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                113.453(4)
_cell_angle_beta                 97.147(5)
_cell_angle_gamma                100.949(4)
_cell_formula_units_Z            1
_cell_length_a                   9.236(3)
_cell_length_b                   13.596(5)
_cell_length_c                   13.882(5)
_cell_measurement_reflns_used    2739
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.40
_cell_measurement_theta_min      2.30
_cell_volume                     1530.9(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_unetI/netI     0.0488
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            9620
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.490
_diffrn_reflns_theta_min         2.474
_exptl_absorpt_coefficient_mu    0.664
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       block
_exptl_crystal_F_000             678
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.190
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         6724
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0460P)²+0.1632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1102
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4887
_reflns_number_total             6724
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            4.cif
_cod_data_source_block           p-1
_cod_original_cell_volume        1531.0(10)
_cod_database_code               1565485
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.852
_shelx_estimated_absorpt_t_max   0.884
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.17115(4) 0.56207(3) 0.07518(3) 0.03491(12) Uani 1 1 d . . . . .
Cl1 Cl -0.26788(12) 0.56506(7) 0.49009(6) 0.0791(3) Uani 1 1 d . . . . .
P1 P 0.25191(7) 0.82714(5) 0.15032(5) 0.03294(15) Uani 1 1 d . . . . .
P2 P 0.40194(7) 0.75488(5) 0.29578(5) 0.03315(15) Uani 1 1 d . . . . .
O1 O 0.32621(19) 0.63287(12) 0.22430(13) 0.0386(4) Uani 1 1 d . . . . .
O2 O 0.12308(19) 0.72231(12) 0.09255(13) 0.0422(4) Uani 1 1 d . . . . .
O3 O 0.1647(2) 0.38313(15) 0.04540(17) 0.0549(5) Uani 1 1 d . . . . .
H3O H 0.080(4) 0.338(3) 0.002(3) 0.093(13) Uiso 1 1 d . . . . .
O4 O -0.05779(18) 0.51135(13) 0.09315(12) 0.0390(4) Uani 1 1 d . . . . .
O5 O -0.3708(2) 0.43590(17) -0.00546(15) 0.0553(5) Uani 1 1 d . . . . .
N1 N 0.3575(2) 0.84167(16) 0.25580(16) 0.0406(5) Uani 1 1 d . . . . .
C1 C -0.1083(3) 0.51982(18) 0.18000(19) 0.0375(6) Uani 1 1 d . . . . .
C2 C -0.0066(3) 0.5506(2) 0.2783(2) 0.0525(7) Uani 1 1 d . . . . .
H2 H 0.0965 0.5631 0.2804 0.063 Uiso 1 1 calc R U . . .
C3 C -0.0550(4) 0.5626(3) 0.3704(2) 0.0617(8) Uani 1 1 d . . . . .
H3 H 0.0152 0.5821 0.4335 0.074 Uiso 1 1 calc R U . . .
C4 C -0.2083(4) 0.5458(2) 0.3708(2) 0.0522(7) Uani 1 1 d . . . . .
C5 C -0.3104(3) 0.5169(2) 0.2785(2) 0.0503(7) Uani 1 1 d . . . . .
H5 H -0.4126 0.5074 0.2792 0.060 Uiso 1 1 calc R U . . .
C6 C -0.2638(3) 0.5009(2) 0.1817(2) 0.0420(6) Uani 1 1 d . . . . .
C7 C -0.3821(3) 0.4645(3) 0.0879(2) 0.0562(7) Uani 1 1 d . . . . .
H7 H -0.4793 0.4624 0.0998 0.067 Uiso 1 1 calc R U . . .
C8 C 0.1939(4) 0.3443(3) 0.1228(3) 0.0847(12) Uani 1 1 d . . . . .
H8A H 0.2811 0.3950 0.1775 0.127 Uiso 1 1 calc R U . . .
H8B H 0.2125 0.2725 0.0894 0.127 Uiso 1 1 calc R U . . .
H8C H 0.1081 0.3386 0.1547 0.127 Uiso 1 1 calc R U . . .
C9 C 0.6051(3) 0.77886(19) 0.3164(2) 0.0386(6) Uani 1 1 d . . . . .
C10 C 0.6695(3) 0.7576(2) 0.2273(2) 0.0524(7) Uani 1 1 d . . . . .
H10 H 0.6073 0.7278 0.1590 0.063 Uiso 1 1 calc R U . . .
C11 C 0.8238(4) 0.7798(3) 0.2388(3) 0.0661(9) Uani 1 1 d . . . . .
H11 H 0.8654 0.7653 0.1785 0.079 Uiso 1 1 calc R U . . .
C12 C 0.9167(4) 0.8237(3) 0.3396(3) 0.0711(9) Uani 1 1 d . . . . .
H12 H 1.0210 0.8387 0.3473 0.085 Uiso 1 1 calc R U . . .
C13 C 0.8555(4) 0.8454(3) 0.4288(3) 0.0689(9) Uani 1 1 d . . . . .
H13 H 0.9186 0.8751 0.4969 0.083 Uiso 1 1 calc R U . . .
C14 C 0.6994(3) 0.8230(2) 0.4176(2) 0.0510(7) Uani 1 1 d . . . . .
H14 H 0.6583 0.8376 0.4781 0.061 Uiso 1 1 calc R U . . .
C15 C 0.3590(3) 0.78834(18) 0.42738(18) 0.0346(5) Uani 1 1 d . . . . .
C16 C 0.3226(3) 0.8862(2) 0.4833(2) 0.0430(6) Uani 1 1 d . . . . .
H16 H 0.3225 0.9373 0.4545 0.052 Uiso 1 1 calc R U . . .
C17 C 0.2859(4) 0.9089(2) 0.5835(2) 0.0565(8) Uani 1 1 d . . . . .
H17 H 0.2605 0.9747 0.6208 0.068 Uiso 1 1 calc R U . . .
C18 C 0.2871(4) 0.8344(3) 0.6265(2) 0.0615(8) Uani 1 1 d . . . . .
H18 H 0.2629 0.8497 0.6932 0.074 Uiso 1 1 calc R U . . .
C19 C 0.3243(4) 0.7368(2) 0.5714(2) 0.0616(8) Uani 1 1 d . . . . .
H19 H 0.3255 0.6865 0.6012 0.074 Uiso 1 1 calc R U . . .
C20 C 0.3599(3) 0.7131(2) 0.4719(2) 0.0508(7) Uani 1 1 d . . . . .
H20 H 0.3843 0.6468 0.4348 0.061 Uiso 1 1 calc R U . . .
C21 C 0.3606(3) 0.8344(2) 0.0525(2) 0.0411(6) Uani 1 1 d . . . . .
C22 C 0.2909(5) 0.7790(3) -0.0563(2) 0.0665(9) Uani 1 1 d . . . . .
H22 H 0.1892 0.7407 -0.0770 0.080 Uiso 1 1 calc R U . . .
C23 C 0.3696(7) 0.7799(3) -0.1336(3) 0.0984(15) Uani 1 1 d . . . . .
H23 H 0.3218 0.7406 -0.2061 0.118 Uiso 1 1 calc R U . . .
C24 C 0.5153(7) 0.8374(4) -0.1048(4) 0.1068(18) Uani 1 1 d . . . . .
H24 H 0.5671 0.8389 -0.1577 0.128 Uiso 1 1 calc R U . . .
C25 C 0.5883(5) 0.8936(4) 0.0004(5) 0.1019(15) Uani 1 1 d . . . . .
H25 H 0.6895 0.9328 0.0191 0.122 Uiso 1 1 calc R U . . .
C26 C 0.5097(4) 0.8924(3) 0.0822(3) 0.0675(9) Uani 1 1 d . . . . .
H26 H 0.5588 0.9304 0.1545 0.081 Uiso 1 1 calc R U . . .
C27 C 0.1812(3) 0.9499(2) 0.1875(2) 0.0406(6) Uani 1 1 d . . . . .
C28 C 0.0579(4) 0.9532(3) 0.1267(4) 0.1096(18) Uani 1 1 d . . . . .
H28 H 0.0043 0.8902 0.0648 0.132 Uiso 1 1 calc R U . . .
C29 C 0.0103(5) 1.0508(3) 0.1562(5) 0.139(2) Uani 1 1 d . . . . .
H29 H -0.0755 1.0519 0.1141 0.167 Uiso 1 1 calc R U . . .
C30 C 0.0873(5) 1.1435(3) 0.2452(4) 0.0859(12) Uani 1 1 d . . . . .
H30 H 0.0539 1.2077 0.2654 0.103 Uiso 1 1 calc R U . . .
C31 C 0.2125(5) 1.1419(3) 0.3040(3) 0.0808(12) Uani 1 1 d . . . . .
H31 H 0.2678 1.2060 0.3643 0.097 Uiso 1 1 calc R U . . .
C32 C 0.2600(4) 1.0462(2) 0.2760(2) 0.0646(9) Uani 1 1 d . . . . .
H32 H 0.3473 1.0467 0.3178 0.078 Uiso 1 1 calc R U . . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 O4 166.82(7) . 2_565
O1 Mn1 O4 110.90(7) . .
O4 Mn1 O4 81.98(7) 2_565 .
O1 Mn1 O5 85.44(7) . 2_565
O4 Mn1 O5 81.38(7) 2_565 2_565
O4 Mn1 O5 160.74(7) . 2_565
O1 Mn1 O2 94.49(6) . .
O4 Mn1 O2 88.81(6) 2_565 .
O4 Mn1 O2 87.16(6) . .
O5 Mn1 O2 102.12(7) 2_565 .
O1 Mn1 O3 94.29(7) . .
O4 Mn1 O3 84.62(7) 2_565 .
O4 Mn1 O3 81.47(7) . .
O5 Mn1 O3 87.37(8) 2_565 .
O2 Mn1 O3 167.55(7) . .
O2 P1 N1 117.46(10) . .
O2 P1 C21 106.78(11) . .
N1 P1 C21 110.88(12) . .
O2 P1 C27 110.85(11) . .
N1 P1 C27 106.12(11) . .
C21 P1 C27 103.96(11) . .
O1 P2 N1 116.96(10) . .
O1 P2 C9 109.79(10) . .
N1 P2 C9 107.39(11) . .
O1 P2 C15 108.18(10) . .
N1 P2 C15 107.84(11) . .
C9 P2 C15 106.14(11) . .
P2 O1 Mn1 128.16(10) . .
P1 O2 Mn1 117.74(10) . .
C8 O3 Mn1 127.0(2) . .
C8 O3 H3O 105(2) . .
Mn1 O3 H3O 111(2) . .
C1 O4 Mn1 131.84(15) . 2_565
C1 O4 Mn1 130.10(15) . .
Mn1 O4 Mn1 98.02(7) 2_565 .
C7 O5 Mn1 130.83(18) . 2_565
P1 N1 P2 132.45(13) . .
O4 C1 C2 120.6(2) . .
O4 C1 C6 123.0(2) . .
C2 C1 C6 116.4(2) . .
C3 C2 C1 122.1(3) . .
C3 C2 H2 119.0 . .
C1 C2 H2 119.0 . .
C2 C3 C4 120.6(3) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 119.5(3) . .
C5 C4 Cl1 120.4(2) . .
C3 C4 Cl1 120.0(2) . .
C4 C5 C6 121.0(3) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C5 C6 C1 120.4(2) . .
C5 C6 C7 116.1(2) . .
C1 C6 C7 123.5(2) . .
O5 C7 C6 128.0(3) . .
O5 C7 H7 116.0 . .
C6 C7 H7 116.0 . .
O3 C8 H8A 109.5 . .
O3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C14 C9 C10 118.7(2) . .
C14 C9 P2 122.8(2) . .
C10 C9 P2 118.4(2) . .
C11 C10 C9 120.9(3) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 120.0(3) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 120.1(3) . .
C13 C12 H12 119.9 . .
C11 C12 H12 119.9 . .
C12 C13 C14 120.1(3) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C9 C14 C13 120.1(3) . .
C9 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
C16 C15 C20 119.3(2) . .
C16 C15 P2 121.20(18) . .
C20 C15 P2 119.51(18) . .
C15 C16 C17 120.2(2) . .
C15 C16 H16 119.9 . .
C17 C16 H16 119.9 . .
C18 C17 C16 120.1(3) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C19 120.1(3) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C18 C19 C20 120.3(3) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
C19 C20 C15 120.0(3) . .
C19 C20 H20 120.0 . .
C15 C20 H20 120.0 . .
C26 C21 C22 118.9(3) . .
C26 C21 P1 122.1(2) . .
C22 C21 P1 119.0(2) . .
C23 C22 C21 121.2(4) . .
C23 C22 H22 119.4 . .
C21 C22 H22 119.4 . .
C24 C23 C22 120.1(4) . .
C24 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
C23 C24 C25 121.0(4) . .
C23 C24 H24 119.5 . .
C25 C24 H24 119.5 . .
C24 C25 C26 119.9(4) . .
C24 C25 H25 120.1 . .
C26 C25 H25 120.1 . .
C21 C26 C25 118.9(4) . .
C21 C26 H26 120.5 . .
C25 C26 H26 120.5 . .
C28 C27 C32 117.7(3) . .
C28 C27 P1 122.2(2) . .
C32 C27 P1 120.0(2) . .
C27 C28 C29 120.4(3) . .
C27 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C30 C29 C28 120.7(4) . .
C30 C29 H29 119.6 . .
C28 C29 H29 119.6 . .
C31 C30 C29 119.2(3) . .
C31 C30 H30 120.4 . .
C29 C30 H30 120.4 . .
C30 C31 C32 120.5(3) . .
C30 C31 H31 119.7 . .
C32 C31 H31 119.7 . .
C27 C32 C31 121.4(3) . .
C27 C32 H32 119.3 . .
C31 C32 H32 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.1013(17) .
Mn1 O4 2.1659(17) 2_565
Mn1 O4 2.1734(18) .
Mn1 O5 2.188(2) 2_565
Mn1 O2 2.2311(18) .
Mn1 O3 2.287(2) .
Cl1 C4 1.746(3) .
P1 O2 1.5162(17) .
P1 N1 1.573(2) .
P1 C21 1.808(3) .
P1 C27 1.814(3) .
P2 O1 1.5172(17) .
P2 N1 1.587(2) .
P2 C9 1.808(3) .
P2 C15 1.814(2) .
O3 C8 1.392(4) .
O3 H3O 0.87(4) .
O4 C1 1.317(3) .
O4 Mn1 2.1659(17) 2_565
O5 C7 1.221(3) .
O5 Mn1 2.188(2) 2_565
C1 C2 1.413(4) .
C1 C6 1.415(4) .
C2 C3 1.366(4) .
C2 H2 0.9300 .
C3 C4 1.392(4) .
C3 H3 0.9300 .
C4 C5 1.358(4) .
C5 C6 1.410(3) .
C5 H5 0.9300 .
C6 C7 1.435(4) .
C7 H7 0.9300 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C14 1.385(4) .
C9 C10 1.390(4) .
C10 C11 1.375(4) .
C10 H10 0.9300 .
C11 C12 1.375(4) .
C11 H11 0.9300 .
C12 C13 1.373(5) .
C12 H12 0.9300 .
C13 C14 1.392(4) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.377(3) .
C15 C20 1.391(3) .
C16 C17 1.400(4) .
C16 H16 0.9300 .
C17 C18 1.366(4) .
C17 H17 0.9300 .
C18 C19 1.376(4) .
C18 H18 0.9300 .
C19 C20 1.386(4) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C26 1.370(4) .
C21 C22 1.390(4) .
C22 C23 1.371(5) .
C22 H22 0.9300 .
C23 C24 1.342(7) .
C23 H23 0.9300 .
C24 C25 1.357(6) .
C24 H24 0.9300 .
C25 C26 1.425(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C28 1.350(4) .
C27 C32 1.374(4) .
C28 C29 1.399(5) .
C28 H28 0.9300 .
C29 C30 1.349(6) .
C29 H29 0.9300 .
C30 C31 1.339(5) .
C30 H30 0.9300 .
C31 C32 1.376(4) .
C31 H31 0.9300 .
C32 H32 0.9300 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1 P2 O1 Mn1 1.47(18) . . . .
C9 P2 O1 Mn1 -121.18(13) . . . .
C15 P2 O1 Mn1 123.40(13) . . . .
N1 P1 O2 Mn1 -42.66(15) . . . .
C21 P1 O2 Mn1 82.53(13) . . . .
C27 P1 O2 Mn1 -164.86(11) . . . .
O2 P1 N1 P2 27.0(2) . . . .
C21 P1 N1 P2 -96.1(2) . . . .
C27 P1 N1 P2 151.63(18) . . . .
O1 P2 N1 P1 -3.3(2) . . . .
C9 P2 N1 P1 120.63(19) . . . .
C15 P2 N1 P1 -125.36(18) . . . .
Mn1 O4 C1 C2 166.38(17) 2_565 . . .
Mn1 O4 C1 C2 -10.7(3) . . . .
Mn1 O4 C1 C6 -14.6(3) 2_565 . . .
Mn1 O4 C1 C6 168.34(16) . . . .
O4 C1 C2 C3 178.5(2) . . . .
C6 C1 C2 C3 -0.6(4) . . . .
C1 C2 C3 C4 -0.8(5) . . . .
C2 C3 C4 C5 0.3(4) . . . .
C2 C3 C4 Cl1 -178.3(2) . . . .
C3 C4 C5 C6 1.5(4) . . . .
Cl1 C4 C5 C6 -179.9(2) . . . .
C4 C5 C6 C1 -2.9(4) . . . .
C4 C5 C6 C7 176.7(3) . . . .
O4 C1 C6 C5 -176.7(2) . . . .
C2 C1 C6 C5 2.3(4) . . . .
O4 C1 C6 C7 3.8(4) . . . .
C2 C1 C6 C7 -177.2(2) . . . .
Mn1 O5 C7 C6 -5.5(5) 2_565 . . .
C5 C6 C7 O5 -172.9(3) . . . .
C1 C6 C7 O5 6.6(5) . . . .
O1 P2 C9 C14 -121.4(2) . . . .
N1 P2 C9 C14 110.5(2) . . . .
C15 P2 C9 C14 -4.6(2) . . . .
O1 P2 C9 C10 62.2(2) . . . .
N1 P2 C9 C10 -66.0(2) . . . .
C15 P2 C9 C10 178.86(19) . . . .
C14 C9 C10 C11 -0.1(4) . . . .
P2 C9 C10 C11 176.5(2) . . . .
C9 C10 C11 C12 0.1(5) . . . .
C10 C11 C12 C13 -0.1(5) . . . .
C11 C12 C13 C14 0.1(5) . . . .
C10 C9 C14 C13 0.1(4) . . . .
P2 C9 C14 C13 -176.4(2) . . . .
C12 C13 C14 C9 -0.1(5) . . . .
O1 P2 C15 C16 -138.4(2) . . . .
N1 P2 C15 C16 -11.0(2) . . . .
C9 P2 C15 C16 103.9(2) . . . .
O1 P2 C15 C20 40.4(2) . . . .
N1 P2 C15 C20 167.8(2) . . . .
C9 P2 C15 C20 -77.4(2) . . . .
C20 C15 C16 C17 -0.5(4) . . . .
P2 C15 C16 C17 178.3(2) . . . .
C15 C16 C17 C18 0.5(4) . . . .
C16 C17 C18 C19 -0.1(5) . . . .
C17 C18 C19 C20 -0.3(5) . . . .
C18 C19 C20 C15 0.3(5) . . . .
C16 C15 C20 C19 0.1(4) . . . .
P2 C15 C20 C19 -178.7(2) . . . .
O2 P1 C21 C26 -156.1(2) . . . .
N1 P1 C21 C26 -27.0(3) . . . .
C27 P1 C21 C26 86.6(3) . . . .
O2 P1 C21 C22 23.7(2) . . . .
N1 P1 C21 C22 152.8(2) . . . .
C27 P1 C21 C22 -93.6(2) . . . .
C26 C21 C22 C23 1.3(5) . . . .
P1 C21 C22 C23 -178.5(3) . . . .
C21 C22 C23 C24 -1.9(6) . . . .
C22 C23 C24 C25 1.4(7) . . . .
C23 C24 C25 C26 -0.3(7) . . . .
C22 C21 C26 C25 -0.2(5) . . . .
P1 C21 C26 C25 179.5(3) . . . .
C24 C25 C26 C21 -0.2(6) . . . .
O2 P1 C27 C28 -33.1(3) . . . .
N1 P1 C27 C28 -161.7(3) . . . .
C21 P1 C27 C28 81.3(3) . . . .
O2 P1 C27 C32 151.7(2) . . . .
N1 P1 C27 C32 23.1(3) . . . .
C21 P1 C27 C32 -93.9(2) . . . .
C32 C27 C28 C29 -2.4(7) . . . .
P1 C27 C28 C29 -177.7(4) . . . .
C27 C28 C29 C30 0.6(8) . . . .
C28 C29 C30 C31 1.5(8) . . . .
C29 C30 C31 C32 -1.7(7) . . . .
C28 C27 C32 C31 2.1(5) . . . .
P1 C27 C32 C31 177.5(3) . . . .
C30 C31 C32 C27 -0.1(6) . . . .
