#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:30:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180042 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/36/7033600.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_7033600
loop_
_publ_author_name
'Wang, Ting-Ting'
'Ren, Min'
'Bao, Song-Song'
'Cai, Zhong-Sheng'
'Liu, Bin'
'Zheng, Ze-Hua'
'Xu, Zhong-Li'
'Zheng, Li-Min'
_publ_section_title
;
 The O-P-O bridged Mn2(salen)2 chains showing coexistence of single chain
 magnet and metamagnet behaviour.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4271
_journal_page_last               4279
_journal_paper_doi               10.1039/c4dt03888f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C76 H68 Mn4 N8 O12 P2, 2(Cl O4)'
_chemical_formula_sum            'C76 H68 Cl2 Mn4 N8 O20 P2'
_chemical_formula_weight         1765.98
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-12-17 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                99.0690(10)
_cell_angle_beta                 109.3600(10)
_cell_angle_gamma                100.4300(10)
_cell_formula_units_Z            1
_cell_length_a                   10.2082(11)
_cell_length_b                   13.4812(15)
_cell_length_c                   14.5141(16)
_cell_measurement_reflns_used    4190
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.241
_cell_measurement_theta_min      2.184
_cell_volume                     1801.6(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15599
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.367
_diffrn_reflns_theta_min         1.530
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  0.917
_exptl_absorpt_correction_T_min  0.871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_description       block
_exptl_crystal_F_000             904
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: methanol'
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.483
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7963
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0387
_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)+(0.0226P)²+1.8798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0878
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6004
_reflns_number_total             7963
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt03888f2.cif
_cod_data_source_block           1106W412_0m
_cod_depositor_comments
'Adding full bibliography for 7033598--7033600.cif.'
_cod_database_code               7033600
#BEGIN Tags that were not found in dictionaries:
_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   0.843
_shelx_estimated_absorpt_t_max   0.917
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
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
Mn1 Mn 0.48356(4) 0.07942(3) 0.09364(3) 0.01610(9) Uani 1 1 d . .
Mn2 Mn 0.49990(4) 0.36643(3) 0.45375(3) 0.01787(10) Uani 1 1 d . .
P1 P 0.41305(7) 0.11923(6) 0.30107(5) 0.02265(16) Uani 1 1 d . .
H1D H 0.5334 0.1053 0.3516 0.027 Uiso 1 1 d R U
C1 C 0.2934(3) 0.0329(2) 0.3381(2) 0.0223(6) Uani 1 1 d . .
C2 C 0.1738(3) -0.0404(2) 0.2650(2) 0.0262(6) Uani 1 1 d . .
H2 H 0.1562 -0.0450 0.1971 0.031 Uiso 1 1 calc R U
C3 C 0.0813(3) -0.1064(2) 0.2942(2) 0.0336(7) Uani 1 1 d . .
H3 H 0.0014 -0.1547 0.2459 0.040 Uiso 1 1 calc R U
C4 C 0.1085(3) -0.1000(2) 0.3954(3) 0.0381(8) Uani 1 1 d . .
H4 H 0.0458 -0.1434 0.4147 0.046 Uiso 1 1 calc R U
C5 C 0.2276(4) -0.0298(2) 0.4675(2) 0.0372(7) Uani 1 1 d . .
H5 H 0.2459 -0.0265 0.5352 0.045 Uiso 1 1 calc R U
C6 C 0.3204(3) 0.0361(2) 0.4388(2) 0.0284(6) Uani 1 1 d . .
H6 H 0.4014 0.0828 0.4876 0.034 Uiso 1 1 calc R U
C7 C 0.2684(3) -0.11181(19) 0.00673(18) 0.0182(5) Uani 1 1 d . .
C8 C 0.2269(3) -0.2115(2) 0.0190(2) 0.0242(6) Uani 1 1 d . .
H8 H 0.2965 -0.2438 0.0509 0.029 Uiso 1 1 calc R U
C9 C 0.0829(3) -0.2634(2) -0.0158(2) 0.0309(7) Uani 1 1 d . .
H9 H 0.0569 -0.3298 -0.0067 0.037 Uiso 1 1 calc R U
C10 C -0.0224(3) -0.2167(2) -0.0641(2) 0.0324(7) Uani 1 1 d . .
H10 H -0.1187 -0.2519 -0.0877 0.039 Uiso 1 1 calc R U
C11 C 0.0165(3) -0.1182(2) -0.0767(2) 0.0274(6) Uani 1 1 d . .
H11 H -0.0542 -0.0876 -0.1100 0.033 Uiso 1 1 calc R U
C12 C 0.1615(3) -0.0630(2) -0.04013(19) 0.0210(5) Uani 1 1 d . .
C13 C 0.1953(3) 0.0409(2) -0.05477(19) 0.0213(6) Uani 1 1 d . .
H13 H 0.1225 0.0624 -0.0986 0.026 Uiso 1 1 calc R U
C14 C 0.3496(3) 0.2091(2) -0.0309(2) 0.0242(6) Uani 1 1 d . .
H14A H 0.2613 0.2304 -0.0575 0.029 Uiso 1 1 calc R U
H14B H 0.3960 0.2089 -0.0794 0.029 Uiso 1 1 calc R U
C15 C 0.4480(3) 0.2831(2) 0.0687(2) 0.0248(6) Uani 1 1 d . .
H15A H 0.4941 0.3469 0.0571 0.030 Uiso 1 1 calc R U
H15B H 0.3931 0.3001 0.1095 0.030 Uiso 1 1 calc R U
C16 C 0.6861(3) 0.2839(2) 0.17599(19) 0.0197(5) Uani 1 1 d . .
H16 H 0.7095 0.3540 0.1766 0.024 Uiso 1 1 calc R U
C17 C 0.7967(3) 0.2434(2) 0.23669(19) 0.0200(5) Uani 1 1 d . .
C18 C 0.9328(3) 0.3116(2) 0.2926(2) 0.0265(6) Uani 1 1 d . .
H18 H 0.9486 0.3804 0.2877 0.032 Uiso 1 1 calc R U
C19 C 1.0426(3) 0.2790(2) 0.3542(2) 0.0307(7) Uani 1 1 d . .
H19 H 1.1322 0.3247 0.3898 0.037 Uiso 1 1 calc R U
C20 C 1.0173(3) 0.1761(2) 0.3624(2) 0.0280(6) Uani 1 1 d . .
H20 H 1.0904 0.1537 0.4050 0.034 Uiso 1 1 calc R U
C21 C 0.8859(3) 0.1070(2) 0.30840(19) 0.0230(6) Uani 1 1 d . .
H21 H 0.8715 0.0389 0.3155 0.028 Uiso 1 1 calc R U
C22 C 0.7742(3) 0.1381(2) 0.24323(18) 0.0187(5) Uani 1 1 d . .
C23 C 0.4095(3) 0.27499(19) 0.59779(19) 0.0192(5) Uani 1 1 d . .
C24 C 0.2972(3) 0.2415(2) 0.63013(19) 0.0226(6) Uani 1 1 d . .
H24 H 0.2104 0.2587 0.6031 0.027 Uiso 1 1 calc R U
C25 C 0.3144(3) 0.1833(2) 0.7017(2) 0.0284(6) Uani 1 1 d . .
H25 H 0.2384 0.1612 0.7216 0.034 Uiso 1 1 calc R U
C26 C 0.4434(3) 0.1569(2) 0.7448(2) 0.0313(7) Uani 1 1 d . .
H26 H 0.4528 0.1161 0.7916 0.038 Uiso 1 1 calc R U
C27 C 0.5557(3) 0.1917(2) 0.7172(2) 0.0282(6) Uani 1 1 d . .
H27 H 0.6430 0.1766 0.7477 0.034 Uiso 1 1 calc R U
C28 C 0.5420(3) 0.25016(19) 0.64343(19) 0.0209(5) Uani 1 1 d . .
C29 C 0.6626(3) 0.2778(2) 0.6140(2) 0.0234(6) Uani 1 1 d . .
H29 H 0.7485 0.2651 0.6519 0.028 Uiso 1 1 calc R U
C30 C 0.7887(3) 0.3356(2) 0.5111(2) 0.0269(6) Uani 1 1 d . .
H30A H 0.7779 0.2796 0.4561 0.032 Uiso 1 1 calc R U
H30B H 0.8743 0.3388 0.5678 0.032 Uiso 1 1 calc R U
C31 C 0.7994(3) 0.4381(2) 0.4795(2) 0.0256(6) Uani 1 1 d . .
H31A H 0.8348 0.4957 0.5379 0.031 Uiso 1 1 calc R U
H31B H 0.8646 0.4451 0.4438 0.031 Uiso 1 1 calc R U
C32 C 0.6342(3) 0.4844(2) 0.3416(2) 0.0223(6) Uani 1 1 d . .
H32 H 0.7148 0.5158 0.3304 0.027 Uiso 1 1 calc R U
C33 C 0.4972(3) 0.49230(19) 0.27736(19) 0.0215(6) Uani 1 1 d . .
C34 C 0.4875(3) 0.5281(2) 0.1898(2) 0.0261(6) Uani 1 1 d . .
H34 H 0.5700 0.5476 0.1761 0.031 Uiso 1 1 calc R U
C35 C 0.3586(3) 0.5346(2) 0.1243(2) 0.0279(6) Uani 1 1 d . .
H35 H 0.3530 0.5564 0.0657 0.033 Uiso 1 1 calc R U
C36 C 0.2364(3) 0.5082(2) 0.1468(2) 0.0299(6) Uani 1 1 d . .
H36 H 0.1484 0.5110 0.1019 0.036 Uiso 1 1 calc R U
C37 C 0.2431(3) 0.4778(2) 0.2344(2) 0.0258(6) Uani 1 1 d . .
H37 H 0.1605 0.4631 0.2490 0.031 Uiso 1 1 calc R U
C38 C 0.3729(3) 0.46884(19) 0.30165(19) 0.0204(5) Uani 1 1 d . .
N1 N 0.5572(2) 0.23123(16) 0.12073(16) 0.0184(4) Uani 1 1 d . .
N2 N 0.3190(2) 0.10532(16) -0.01147(16) 0.0183(4) Uani 1 1 d . .
N3 N 0.6537(2) 0.43715(16) 0.41343(16) 0.0202(5) Uani 1 1 d . .
N4 N 0.6610(2) 0.31882(17) 0.53921(16) 0.0222(5) Uani 1 1 d . .
O1 O 0.36804(19) 0.08505(14) 0.18879(13) 0.0251(4) Uani 1 1 d . .
O2 O 0.4230(2) 0.23096(14) 0.34168(14) 0.0300(5) Uani 1 1 d . .
O3 O 0.40994(17) -0.06600(13) 0.03587(12) 0.0174(4) Uani 1 1 d . .
O4 O 0.65204(18) 0.06686(13) 0.18891(13) 0.0194(4) Uani 1 1 d . .
O5 O 0.38647(18) 0.32865(13) 0.52737(13) 0.0201(4) Uani 1 1 d . .
O6 O 0.37838(18) 0.44506(14) 0.38935(13) 0.0234(4) Uani 1 1 d . .
Cl1 Cl 0.89859(7) 0.58751(5) 0.18406(6) 0.02983(16) Uani 1 1 d . .
O7 O 0.8671(3) 0.48734(18) 0.11979(19) 0.0584(7) Uani 1 1 d . .
O8 O 0.9166(3) 0.5734(2) 0.28350(17) 0.0535(7) Uani 1 1 d . .
O9 O 0.7852(3) 0.6359(2) 0.1503(3) 0.0787(10) Uani 1 1 d . .
O10 O 1.0284(2) 0.65013(18) 0.1859(2) 0.0531(7) 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'
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'
Mn Mn 0.3368 0.7283 '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'
H H 0.0000 0.0000 '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_3
O4 Mn1 O3 94.90(7) .
O4 Mn1 N1 91.98(8) .
O3 Mn1 N1 166.33(8) .
O4 Mn1 N2 173.36(8) .
O3 Mn1 N2 89.45(8) .
N1 Mn1 N2 82.75(8) .
O4 Mn1 O1 96.12(7) .
O3 Mn1 O1 95.40(7) .
N1 Mn1 O1 95.59(8) .
N2 Mn1 O1 88.44(8) .
O4 Mn1 O3 90.57(7) 2_655
O3 Mn1 O3 81.38(7) 2_655
N1 Mn1 O3 86.76(7) 2_655
N2 Mn1 O3 85.11(7) 2_655
O1 Mn1 O3 172.81(6) 2_655
O5 Mn2 O6 92.71(7) .
O5 Mn2 N4 92.07(8) .
O6 Mn2 N4 165.49(9) .
O5 Mn2 N3 163.12(8) .
O6 Mn2 N3 89.89(8) .
N4 Mn2 N3 81.69(9) .
O5 Mn2 O2 97.74(8) .
O6 Mn2 O2 98.99(8) .
N4 Mn2 O2 93.92(9) .
N3 Mn2 O2 98.31(8) .
O2 P1 O1 116.07(11) .
O2 P1 C1 111.82(11) .
O1 P1 C1 107.44(12) .
O2 P1 H1D 104.6 .
O1 P1 H1D 114.9 .
C1 P1 H1D 101.1 .
C6 C1 C2 119.2(2) .
C6 C1 P1 120.6(2) .
C2 C1 P1 120.2(2) .
C3 C2 C1 119.8(3) .
C3 C2 H2 120.1 .
C1 C2 H2 120.1 .
C4 C3 C2 120.0(3) .
C4 C3 H3 120.0 .
C2 C3 H3 120.0 .
C5 C4 C3 120.5(3) .
C5 C4 H4 119.8 .
C3 C4 H4 119.8 .
C4 C5 C6 119.9(3) .
C4 C5 H5 120.1 .
C6 C5 H5 120.1 .
C1 C6 C5 120.7(3) .
C1 C6 H6 119.7 .
C5 C6 H6 119.7 .
O3 C7 C8 119.2(2) .
O3 C7 C12 121.7(2) .
C8 C7 C12 119.0(2) .
C9 C8 C7 120.8(3) .
C9 C8 H8 119.6 .
C7 C8 H8 119.6 .
C10 C9 C8 120.4(3) .
C10 C9 H9 119.8 .
C8 C9 H9 119.8 .
C11 C10 C9 119.6(3) .
C11 C10 H10 120.2 .
C9 C10 H10 120.2 .
C10 C11 C12 121.2(3) .
C10 C11 H11 119.4 .
C12 C11 H11 119.4 .
C11 C12 C7 119.0(2) .
C11 C12 C13 118.5(2) .
C7 C12 C13 122.5(2) .
N2 C13 C12 124.5(2) .
N2 C13 H13 117.7 .
C12 C13 H13 117.7 .
N2 C14 C15 107.2(2) .
N2 C14 H14A 110.3 .
C15 C14 H14A 110.3 .
N2 C14 H14B 110.3 .
C15 C14 H14B 110.3 .
H14A C14 H14B 108.5 .
N1 C15 C14 107.9(2) .
N1 C15 H15A 110.1 .
C14 C15 H15A 110.1 .
N1 C15 H15B 110.1 .
C14 C15 H15B 110.1 .
H15A C15 H15B 108.4 .
N1 C16 C17 125.6(2) .
N1 C16 H16 117.2 .
C17 C16 H16 117.2 .
C18 C17 C22 118.8(2) .
C18 C17 C16 118.4(2) .
C22 C17 C16 122.7(2) .
C19 C18 C17 121.7(3) .
C19 C18 H18 119.2 .
C17 C18 H18 119.2 .
C18 C19 C20 118.8(3) .
C18 C19 H19 120.6 .
C20 C19 H19 120.6 .
C21 C20 C19 121.2(3) .
C21 C20 H20 119.4 .
C19 C20 H20 119.4 .
C20 C21 C22 120.8(3) .
C20 C21 H21 119.6 .
C22 C21 H21 119.6 .
O4 C22 C21 118.3(2) .
O4 C22 C17 123.1(2) .
C21 C22 C17 118.7(2) .
O5 C23 C24 118.3(2) .
O5 C23 C28 123.8(2) .
C24 C23 C28 117.9(2) .
C25 C24 C23 120.7(3) .
C25 C24 H24 119.7 .
C23 C24 H24 119.7 .
C24 C25 C26 121.4(3) .
C24 C25 H25 119.3 .
C26 C25 H25 119.3 .
C27 C26 C25 119.0(3) .
C27 C26 H26 120.5 .
C25 C26 H26 120.5 .
C26 C27 C28 121.4(3) .
C26 C27 H27 119.3 .
C28 C27 H27 119.3 .
C27 C28 C23 119.6(2) .
C27 C28 C29 117.7(2) .
C23 C28 C29 122.6(2) .
N4 C29 C28 125.2(2) .
N4 C29 H29 117.4 .
C28 C29 H29 117.4 .
N4 C30 C31 106.3(2) .
N4 C30 H30A 110.5 .
C31 C30 H30A 110.5 .
N4 C30 H30B 110.5 .
C31 C30 H30B 110.5 .
H30A C30 H30B 108.7 .
N3 C31 C30 106.8(2) .
N3 C31 H31A 110.4 .
C30 C31 H31A 110.4 .
N3 C31 H31B 110.4 .
C30 C31 H31B 110.4 .
H31A C31 H31B 108.6 .
N3 C32 C33 124.7(2) .
N3 C32 H32 117.7 .
C33 C32 H32 117.7 .
C34 C33 C38 119.4(2) .
C34 C33 C32 118.7(2) .
C38 C33 C32 121.9(2) .
C35 C34 C33 121.2(2) .
C35 C34 H34 119.4 .
C33 C34 H34 119.4 .
C34 C35 C36 119.0(3) .
C34 C35 H35 120.5 .
C36 C35 H35 120.5 .
C37 C36 C35 121.3(3) .
C37 C36 H36 119.3 .
C35 C36 H36 119.3 .
C36 C37 C38 120.7(3) .
C36 C37 H37 119.6 .
C38 C37 H37 119.6 .
O6 C38 C37 119.5(2) .
O6 C38 C33 122.2(2) .
C37 C38 C33 118.2(2) .
C16 N1 C15 120.8(2) .
C16 N1 Mn1 126.07(18) .
C15 N1 Mn1 113.10(16) .
C13 N2 C14 122.6(2) .
C13 N2 Mn1 124.05(18) .
C14 N2 Mn1 113.22(16) .
C32 N3 C31 120.9(2) .
C32 N3 Mn2 125.36(18) .
C31 N3 Mn2 113.55(16) .
C29 N4 C30 120.1(2) .
C29 N4 Mn2 126.24(18) .
C30 N4 Mn2 113.65(17) .
P1 O1 Mn1 132.80(11) .
P1 O2 Mn2 153.29(13) .
C7 O3 Mn1 121.06(15) .
C7 O3 Mn1 117.33(14) 2_655
Mn1 O3 Mn1 98.62(7) 2_655
C22 O4 Mn1 130.00(16) .
C23 O5 Mn2 129.17(16) .
C38 O6 Mn2 123.46(16) .
O9 Cl1 O10 109.90(16) .
O9 Cl1 O7 110.69(19) .
O10 Cl1 O7 109.36(15) .
O9 Cl1 O8 109.67(17) .
O10 Cl1 O8 109.55(15) .
O7 Cl1 O8 107.64(15) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O4 1.8711(17) .
Mn1 O3 1.9084(17) .
Mn1 N1 1.975(2) .
Mn1 N2 1.988(2) .
Mn1 O1 2.0934(17) .
Mn1 O3 2.4631(17) 2_655
Mn2 O5 1.8763(17) .
Mn2 O6 1.8858(18) .
Mn2 N4 1.984(2) .
Mn2 N3 1.990(2) .
Mn2 O2 2.0725(19) .
P1 O2 1.500(2) .
P1 O1 1.5065(19) .
P1 C1 1.804(3) .
P1 H1D 1.2700 .
C1 C6 1.387(4) .
C1 C2 1.402(4) .
C2 C3 1.394(4) .
C2 H2 0.9300 .
C3 C4 1.386(4) .
C3 H3 0.9300 .
C4 C5 1.377(5) .
C4 H4 0.9300 .
C5 C6 1.391(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 O3 1.356(3) .
C7 C8 1.392(3) .
C7 C12 1.413(4) .
C8 C9 1.389(4) .
C8 H8 0.9300 .
C9 C10 1.389(4) .
C9 H9 0.9300 .
C10 C11 1.374(4) .
C10 H10 0.9300 .
C11 C12 1.408(3) .
C11 H11 0.9300 .
C12 C13 1.446(4) .
C13 N2 1.284(3) .
C13 H13 0.9300 .
C14 N2 1.470(3) .
C14 C15 1.520(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N1 1.482(3) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 N1 1.289(3) .
C16 C17 1.436(4) .
C16 H16 0.9300 .
C17 C18 1.411(4) .
C17 C22 1.420(4) .
C18 C19 1.373(4) .
C18 H18 0.9300 .
C19 C20 1.396(4) .
C19 H19 0.9300 .
C20 C21 1.379(4) .
C20 H20 0.9300 .
C21 C22 1.398(3) .
C21 H21 0.9300 .
C22 O4 1.332(3) .
C23 O5 1.326(3) .
C23 C24 1.405(3) .
C23 C28 1.421(3) .
C24 C25 1.384(4) .
C24 H24 0.9300 .
C25 C26 1.395(4) .
C25 H25 0.9300 .
C26 C27 1.365(4) .
C26 H26 0.9300 .
C27 C28 1.412(4) .
C27 H27 0.9300 .
C28 C29 1.439(4) .
C29 N4 1.290(3) .
C29 H29 0.9300 .
C30 N4 1.480(3) .
C30 C31 1.520(4) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 N3 1.475(3) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 N3 1.285(3) .
C32 C33 1.434(4) .
C32 H32 0.9300 .
C33 C34 1.410(4) .
C33 C38 1.421(3) .
C34 C35 1.372(4) .
C34 H34 0.9300 .
C35 C36 1.392(4) .
C35 H35 0.9300 .
C36 C37 1.381(4) .
C36 H36 0.9300 .
C37 C38 1.400(4) .
C37 H37 0.9300 .
C38 O6 1.347(3) .
O3 Mn1 2.4632(17) 2_655
Cl1 O9 1.415(2) .
Cl1 O10 1.426(2) .
Cl1 O7 1.430(2) .
Cl1 O8 1.441(2) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C32 H32 O8 0.93 2.41 3.337(3) 171.5 .
C30 H30B O8 0.97 2.42 3.317(4) 154.3 2_766
C29 H29 O10 0.93 2.59 3.355(4) 140.3 2_766
C14 H14A O9 0.97 2.44 3.141(3) 129.1 2_665
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 P1 C1 C6 -60.5(2) . .
O1 P1 C1 C6 171.0(2) . .
O2 P1 C1 C2 121.2(2) . .
O1 P1 C1 C2 -7.2(2) . .
C6 C1 C2 C3 2.2(4) . .
P1 C1 C2 C3 -179.6(2) . .
C1 C2 C3 C4 -0.6(4) . .
C2 C3 C4 C5 -0.9(4) . .
C3 C4 C5 C6 0.8(5) . .
C2 C1 C6 C5 -2.3(4) . .
P1 C1 C6 C5 179.4(2) . .
C4 C5 C6 C1 0.8(4) . .
O3 C7 C8 C9 -175.9(2) . .
C12 C7 C8 C9 1.2(4) . .
C7 C8 C9 C10 0.4(4) . .
C8 C9 C10 C11 -0.5(4) . .
C9 C10 C11 C12 -1.0(4) . .
C10 C11 C12 C7 2.6(4) . .
C10 C11 C12 C13 -179.3(3) . .
O3 C7 C12 C11 174.4(2) . .
C8 C7 C12 C11 -2.6(4) . .
O3 C7 C12 C13 -3.7(4) . .
C8 C7 C12 C13 179.3(2) . .
C11 C12 C13 N2 168.0(3) . .
C7 C12 C13 N2 -13.9(4) . .
N2 C14 C15 N1 42.6(3) . .
N1 C16 C17 C18 179.7(2) . .
N1 C16 C17 C22 -0.8(4) . .
C22 C17 C18 C19 -1.1(4) . .
C16 C17 C18 C19 178.4(2) . .
C17 C18 C19 C20 -1.0(4) . .
C18 C19 C20 C21 1.4(4) . .
C19 C20 C21 C22 0.4(4) . .
C20 C21 C22 O4 176.4(2) . .
C20 C21 C22 C17 -2.5(4) . .
C18 C17 C22 O4 -176.1(2) . .
C16 C17 C22 O4 4.5(4) . .
C18 C17 C22 C21 2.8(4) . .
C16 C17 C22 C21 -176.6(2) . .
O5 C23 C24 C25 178.5(2) . .
C28 C23 C24 C25 -2.2(4) . .
C23 C24 C25 C26 0.7(4) . .
C24 C25 C26 C27 1.7(4) . .
C25 C26 C27 C28 -2.5(4) . .
C26 C27 C28 C23 1.0(4) . .
C26 C27 C28 C29 -175.9(3) . .
O5 C23 C28 C27 -179.4(2) . .
C24 C23 C28 C27 1.3(4) . .
O5 C23 C28 C29 -2.6(4) . .
C24 C23 C28 C29 178.1(2) . .
C27 C28 C29 N4 170.5(3) . .
C23 C28 C29 N4 -6.3(4) . .
N4 C30 C31 N3 -45.1(3) . .
N3 C32 C33 C34 -167.7(3) . .
N3 C32 C33 C38 14.7(4) . .
C38 C33 C34 C35 -4.1(4) . .
C32 C33 C34 C35 178.3(2) . .
C33 C34 C35 C36 1.9(4) . .
C34 C35 C36 C37 1.4(4) . .
C35 C36 C37 C38 -2.5(4) . .
C36 C37 C38 O6 176.1(2) . .
C36 C37 C38 C33 0.3(4) . .
C34 C33 C38 O6 -172.8(2) . .
C32 C33 C38 O6 4.8(4) . .
C34 C33 C38 C37 2.9(4) . .
C32 C33 C38 C37 -179.5(2) . .
C17 C16 N1 C15 174.2(2) . .
C17 C16 N1 Mn1 -6.8(4) . .
C14 C15 N1 C16 146.0(2) . .
C14 C15 N1 Mn1 -33.1(2) . .
C12 C13 N2 C14 178.2(2) . .
C12 C13 N2 Mn1 -5.7(4) . .
C15 C14 N2 C13 141.8(2) . .
C15 C14 N2 Mn1 -34.6(2) . .
C33 C32 N3 C31 -176.4(2) . .
C33 C32 N3 Mn2 -1.1(4) . .
C30 C31 N3 C32 -148.3(2) . .
C30 C31 N3 Mn2 35.8(2) . .
C28 C29 N4 C30 -174.8(2) . .
C28 C29 N4 Mn2 6.1(4) . .
C31 C30 N4 C29 -142.5(2) . .
C31 C30 N4 Mn2 36.7(3) . .
O2 P1 O1 Mn1 91.08(17) . .
C1 P1 O1 Mn1 -142.95(15) . .
O1 P1 O2 Mn2 -155.9(2) . .
C1 P1 O2 Mn2 80.3(3) . .
C8 C7 O3 Mn1 -143.97(19) . .
C12 C7 O3 Mn1 39.0(3) . .
C8 C7 O3 Mn1 95.5(2) . 2_655
C12 C7 O3 Mn1 -81.5(2) . 2_655
C21 C22 O4 Mn1 -178.71(17) . .
C17 C22 O4 Mn1 0.2(3) . .
O3 Mn1 O4 C22 162.89(19) . .
N1 Mn1 O4 C22 -5.3(2) . .
O1 Mn1 O4 C22 -101.1(2) . .
O3 Mn1 O4 C22 81.5(2) 2_655 .
C24 C23 O5 Mn2 -169.39(17) . .
C28 C23 O5 Mn2 11.3(4) . .
O6 Mn2 O5 C23 -175.5(2) . .
N4 Mn2 O5 C23 -9.3(2) . .
N3 Mn2 O5 C23 -77.0(4) . .
O2 Mn2 O5 C23 85.0(2) . .
C37 C38 O6 Mn2 147.5(2) . .
C33 C38 O6 Mn2 -36.8(3) . .
O5 Mn2 O6 C38 -158.26(19) . .
N4 Mn2 O6 C38 92.6(4) . .
N3 Mn2 O6 C38 38.4(2) . .
O2 Mn2 O6 C38 -60.0(2) . .
