#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:39:10 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195048 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/19/7041961.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_7041961
loop_
_publ_author_name
'Kagesawa, Koichi'
'Nishimura, Yuki'
'Yoshida, Hiroki'
'Breedlove, Brian K.'
'Yamashita, Masahiro'
'Miyasaka, Hitoshi'
_publ_section_title
;
 Slow relaxation of the magnetization observed in an antiferromagnetically
 ordered phase for SCM-based two-dimensional layered compounds.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3170
_journal_page_last               3178
_journal_paper_doi               10.1039/c6dt04636c
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C37 H38 F6 Mn2 N4 O7 P'
_chemical_formula_weight         905.56
_chemical_name_systematic        Mn(salen)(C6)(PF6)
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-04-25 deposited with the CCDC.
2017-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                102.486(2)
_cell_angle_beta                 106.621(2)
_cell_angle_gamma                102.174(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4231(14)
_cell_length_b                   13.9670(18)
_cell_length_c                   14.2811(19)
_cell_measurement_reflns_used    10762
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      1.56
_cell_volume                     1860.6(4)
_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    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean '\w scans'
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  graphite
_diffrn_measurement_method       'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0133
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10762
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.451
_diffrn_reflns_theta_min         1.557
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.808
_exptl_absorpt_correction_T_max  0.9070
_exptl_absorpt_correction_T_min  0.7230
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'SADABS V2014/5 (Bruker AXS Inc.)' 
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             926
_exptl_crystal_size_max          0.429
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.123
_refine_diff_density_max         0.932
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.277
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         8170
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.277
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0361
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0725
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6967
_reflns_number_total             8170
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04636c2.cif
_cod_data_source_block           Mn-salen_C6_PF6
_cod_depositor_comments
'Adding full bibliography for 7041961--7041962.cif.'
_cod_database_code               7041961
_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   0.7230
_shelx_estimated_absorpt_t_max   0.9070
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 0.51898(3) 0.91364(2) 0.90477(2) 0.01085(8) Uani 1 1 d . .
Mn2 Mn 0.48340(3) 0.62151(2) 0.54886(2) 0.00908(8) Uani 1 1 d . .
P1 P 0.09246(7) 0.39742(5) 0.82000(5) 0.01824(14) Uani 1 1 d . .
O5 O 0.54837(15) 0.74139(10) 0.68722(10) 0.0126(3) Uani 1 1 d . .
O1 O 0.60709(15) 0.55038(10) 0.60444(10) 0.0110(3) Uani 1 1 d . .
F2 F 0.23139(15) 0.49120(10) 0.85325(10) 0.0296(3) Uani 1 1 d . .
O2 O 0.59560(15) 0.67761(10) 0.48062(10) 0.0110(3) Uani 1 1 d . .
O6 O 0.64461(16) 0.88474(11) 0.81744(10) 0.0141(3) Uani 1 1 d . .
O4 O 0.60482(15) 1.05718(10) 0.96383(10) 0.0131(3) Uani 1 1 d . .
O3 O 0.37072(15) 0.92632(10) 0.80204(10) 0.0137(3) Uani 1 1 d . .
F1 F 0.00607(16) 0.45398(11) 0.74977(9) 0.0326(4) Uani 1 1 d . .
F6 F 0.05599(16) 0.45191(13) 0.91396(10) 0.0398(4) Uani 1 1 d . .
F3 F 0.12822(16) 0.34270(10) 0.72386(11) 0.0369(4) Uani 1 1 d . .
F5 F -0.04614(15) 0.30284(12) 0.78502(10) 0.0359(4) Uani 1 1 d . .
F4 F 0.17820(16) 0.34061(11) 0.88829(12) 0.0405(4) Uani 1 1 d . .
N1 N 0.33692(18) 0.54420(12) 0.59094(12) 0.0097(4) Uani 1 1 d . .
N4 N 0.42411(19) 0.76709(13) 0.87751(12) 0.0120(4) Uani 1 1 d . .
N3 N 0.65927(19) 0.88907(13) 1.01716(12) 0.0128(4) Uani 1 1 d . .
N2 N 0.32215(18) 0.66048(13) 0.47088(12) 0.0105(4) Uani 1 1 d . .
C27 C 0.4983(2) 0.50175(15) 0.72280(14) 0.0098(4) Uani 1 1 d . .
C12 C 0.7447(2) 1.09612(16) 0.99754(15) 0.0134(5) Uani 1 1 d . .
C18 C 0.4324(2) 0.73626(15) 0.36534(14) 0.0114(5) Uani 1 1 d . .
C1 C 0.2958(2) 0.71922(16) 0.82167(15) 0.0146(5) Uani 1 1 d . .
H1 H 0.2608 0.6503 0.8206 0.018 Uiso 1 1 calc R U
C7 C 0.2442(2) 0.86147(16) 0.75083(15) 0.0130(5) Uani 1 1 d . .
C26 C 0.3612(2) 0.50102(15) 0.66234(14) 0.0116(4) Uani 1 1 d . .
H26 H 0.2833 0.4662 0.6762 0.014 Uiso 1 1 calc R U
C32 C 0.6160(2) 0.53079(15) 0.69413(15) 0.0096(4) Uani 1 1 d . .
C11 C 0.8362(2) 1.04696(17) 1.05010(15) 0.0149(5) Uani 1 1 d . .
C34 C 0.6605(2) 0.89522(16) 0.65756(15) 0.0133(5) Uani 1 1 d . .
H34A H 0.6876 0.8518 0.6064 0.016 Uiso 1 1 calc R U
H34B H 0.7419 0.9557 0.6994 0.016 Uiso 1 1 calc R U
C31 C 0.7469(2) 0.53319(16) 0.75911(15) 0.0137(5) Uani 1 1 d . .
H31 H 0.8280 0.5545 0.7423 0.016 Uiso 1 1 calc R U
C23 C 0.4110(2) 0.78806(16) 0.29065(15) 0.0146(5) Uani 1 1 d . .
H23 H 0.3203 0.7940 0.2602 0.018 Uiso 1 1 calc R U
C33 C 0.6165(2) 0.83536(16) 0.72486(15) 0.0107(4) Uani 1 1 d . .
C22 C 0.5186(2) 0.83035(16) 0.26082(15) 0.0157(5) Uani 1 1 d . .
H22 H 0.5038 0.8675 0.2123 0.019 Uiso 1 1 calc R U
C17 C 0.3173(2) 0.70141(15) 0.39719(15) 0.0123(5) Uani 1 1 d . .
H17 H 0.2298 0.7089 0.3612 0.015 Uiso 1 1 calc R U
C25 C 0.1932(2) 0.53734(16) 0.53010(15) 0.0135(5) Uani 1 1 d . .
H25A H 0.1306 0.5278 0.5702 0.016 Uiso 1 1 calc R U
H25B H 0.1569 0.4786 0.4672 0.016 Uiso 1 1 calc R U
C19 C 0.5663(2) 0.72527(15) 0.40956(14) 0.0111(5) Uani 1 1 d . .
C28 C 0.5128(2) 0.46959(15) 0.81097(15) 0.0133(5) Uani 1 1 d . .
H28 H 0.4323 0.4458 0.8277 0.016 Uiso 1 1 calc R U
C13 C 0.8040(2) 1.18997(17) 0.98520(15) 0.0171(5) Uani 1 1 d . .
H13 H 0.7447 1.2236 0.9500 0.021 Uiso 1 1 calc R U
C2 C 0.2010(2) 0.76198(16) 0.76055(15) 0.0130(5) Uani 1 1 d . .
C20 C 0.6741(2) 0.76619(15) 0.37567(15) 0.0129(5) Uani 1 1 d . .
H20 H 0.7643 0.7582 0.4031 0.015 Uiso 1 1 calc R U
C21 C 0.6503(2) 0.81765(16) 0.30325(15) 0.0164(5) Uani 1 1 d . .
H21 H 0.7246 0.8450 0.2818 0.020 Uiso 1 1 calc R U
C24 C 0.1995(2) 0.63712(16) 0.50311(15) 0.0130(5) Uani 1 1 d . .
H24A H 0.1129 0.6298 0.4469 0.016 Uiso 1 1 calc R U
H24B H 0.2095 0.6929 0.5632 0.016 Uiso 1 1 calc R U
C8 C 0.5180(2) 0.71485(16) 0.92975(15) 0.0162(5) Uani 1 1 d . .
H8A H 0.5760 0.6947 0.8893 0.019 Uiso 1 1 calc R U
H8B H 0.4628 0.6523 0.9381 0.019 Uiso 1 1 calc R U
C36 C 0.5647(2) 0.98815(16) 0.53004(15) 0.0157(5) Uani 1 1 d . .
H36A H 0.6398 1.0532 0.5691 0.019 Uiso 1 1 calc R U
H36B H 0.5983 0.9472 0.4816 0.019 Uiso 1 1 calc R U
C30 C 0.7589(2) 0.50487(16) 0.84749(15) 0.0154(5) Uani 1 1 d . .
H30 H 0.8485 0.5079 0.8912 0.019 Uiso 1 1 calc R U
C3 C 0.0614(2) 0.70170(17) 0.70820(16) 0.0187(5) Uani 1 1 d . .
H3 H 0.0325 0.6355 0.7158 0.022 Uiso 1 1 calc R U
C29 C 0.6418(2) 0.47211(16) 0.87316(15) 0.0157(5) Uani 1 1 d . .
H29 H 0.6510 0.4516 0.9334 0.019 Uiso 1 1 calc R U
C9 C 0.6107(2) 0.78991(16) 1.03392(15) 0.0179(5) Uani 1 1 d . .
H9A H 0.5569 0.7960 1.0808 0.022 Uiso 1 1 calc R U
H9B H 0.6913 0.7660 1.0645 0.022 Uiso 1 1 calc R U
C14 C 0.9471(3) 1.23473(19) 1.02314(16) 0.0236(6) Uani 1 1 d . .
H14 H 0.9849 1.2979 1.0125 0.028 Uiso 1 1 calc R U
C10 C 0.7847(2) 0.94874(17) 1.06489(15) 0.0167(5) Uani 1 1 d . .
H10 H 0.8474 0.9270 1.1127 0.020 Uiso 1 1 calc R U
C16 C 0.9811(2) 1.09560(18) 1.08993(16) 0.0218(5) Uani 1 1 d . .
H16 H 1.0420 1.0640 1.1267 0.026 Uiso 1 1 calc R U
C6 C 0.1460(2) 0.89341(17) 0.68360(15) 0.0187(5) Uani 1 1 d . .
H6 H 0.1739 0.9582 0.6728 0.022 Uiso 1 1 calc R U
C35 C 0.5363(2) 0.92938(16) 0.60382(15) 0.0147(5) Uani 1 1 d . .
H35A H 0.4546 0.8681 0.5656 0.018 Uiso 1 1 calc R U
H35B H 0.5117 0.9733 0.6562 0.018 Uiso 1 1 calc R U
C4 C -0.0346(3) 0.73606(18) 0.64614(17) 0.0218(5) Uani 1 1 d . .
H4 H -0.1293 0.6952 0.6128 0.026 Uiso 1 1 calc R U
C15 C 1.0366(3) 1.18835(19) 1.07670(17) 0.0246(6) Uani 1 1 d . .
H15 H 1.1348 1.2202 1.1038 0.029 Uiso 1 1 calc R U
C5 C 0.0104(3) 0.83198(18) 0.63345(16) 0.0224(6) Uani 1 1 d . .
H5 H -0.0542 0.8556 0.5891 0.027 Uiso 1 1 calc R U
O7 O 1.0133(3) 0.10395(19) 0.72690(19) 0.0773(8) Uani 1 1 d . .
H7 H 1.0108 0.1614 0.7582 0.116 Uiso 1 1 calc R U
C37 C 0.9640(4) 0.0905(3) 0.6176(3) 0.0698(11) Uani 1 1 d . .
H37A H 0.9548 0.1556 0.6055 0.105 Uiso 1 1 calc R U
H37B H 0.8727 0.0383 0.5852 0.105 Uiso 1 1 calc R U
H37C H 1.0311 0.0685 0.5884 0.105 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'
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'
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
O3 Mn1 O4 94.73(6) .
O3 Mn1 N4 91.78(7) .
O4 Mn1 N4 165.40(7) .
O3 Mn1 N3 173.26(8) .
O4 Mn1 N3 89.64(7) .
N4 Mn1 N3 82.83(7) .
O3 Mn1 O6 97.75(6) .
O4 Mn1 O6 97.95(6) .
N4 Mn1 O6 94.09(7) .
N3 Mn1 O6 86.70(7) .
O2 Mn2 O1 94.23(6) .
O2 Mn2 N2 91.58(7) .
O1 Mn2 N2 165.45(7) .
O2 Mn2 N1 167.65(6) .
O1 Mn2 N1 90.09(7) .
N2 Mn2 N1 81.66(7) .
O2 Mn2 O5 101.60(6) .
O1 Mn2 O5 94.02(6) .
N2 Mn2 O5 97.86(6) .
N1 Mn2 O5 89.60(6) .
F6 P1 F4 90.21(9) .
F6 P1 F1 90.51(8) .
F4 P1 F1 179.28(9) .
F6 P1 F3 179.33(9) .
F4 P1 F3 90.46(9) .
F1 P1 F3 88.83(8) .
F6 P1 F2 90.14(8) .
F4 P1 F2 90.15(8) .
F1 P1 F2 89.94(8) .
F3 P1 F2 89.94(8) .
F6 P1 F5 90.79(9) .
F4 P1 F5 89.98(8) .
F1 P1 F5 89.91(8) .
F3 P1 F5 89.12(8) .
F2 P1 F5 179.06(9) .
C33 O5 Mn2 139.62(13) .
C32 O1 Mn2 121.48(12) .
C19 O2 Mn2 130.06(14) .
C33 O6 Mn1 132.70(14) .
C12 O4 Mn1 120.59(13) .
C7 O3 Mn1 129.28(13) .
C26 N1 C25 121.40(18) .
C26 N1 Mn2 124.76(14) .
C25 N1 Mn2 113.82(12) .
C1 N4 C8 121.64(18) .
C1 N4 Mn1 126.24(15) .
C8 N4 Mn1 112.13(13) .
C10 N3 C9 122.47(18) .
C10 N3 Mn1 124.18(15) .
C9 N3 Mn1 113.07(14) .
C17 N2 C24 120.29(18) .
C17 N2 Mn2 126.14(15) .
C24 N2 Mn2 113.57(13) .
C28 C27 C32 119.76(19) .
C28 C27 C26 118.42(19) .
C32 C27 C26 121.79(19) .
O4 C12 C13 119.6(2) .
O4 C12 C11 122.1(2) .
C13 C12 C11 118.2(2) .
C23 C18 C19 119.7(2) .
C23 C18 C17 117.5(2) .
C19 C18 C17 122.69(19) .
N4 C1 C2 125.1(2) .
N4 C1 H1 117.5 .
C2 C1 H1 117.5 .
O3 C7 C6 118.25(19) .
O3 C7 C2 123.80(19) .
C6 C7 C2 117.9(2) .
N1 C26 C27 124.5(2) .
N1 C26 H26 117.7 .
C27 C26 H26 117.7 .
O1 C32 C31 118.64(19) .
O1 C32 C27 122.93(18) .
C31 C32 C27 118.31(19) .
C16 C11 C12 119.2(2) .
C16 C11 C10 118.7(2) .
C12 C11 C10 122.2(2) .
C33 C34 C35 107.87(18) .
C33 C34 H34A 110.1 .
C35 C34 H34A 110.1 .
C33 C34 H34B 110.1 .
C35 C34 H34B 110.1 .
H34A C34 H34B 108.4 .
C30 C31 C32 120.6(2) .
C30 C31 H31 119.7 .
C32 C31 H31 119.7 .
C22 C23 C18 121.4(2) .
C22 C23 H23 119.3 .
C18 C23 H23 119.3 .
O5 C33 O6 122.88(19) .
O5 C33 C34 120.06(17) .
O6 C33 C34 116.96(19) .
C23 C22 C21 118.8(2) .
C23 C22 H22 120.6 .
C21 C22 H22 120.6 .
N2 C17 C18 125.6(2) .
N2 C17 H17 117.2 .
C18 C17 H17 117.2 .
N1 C25 C24 106.90(17) .
N1 C25 H25A 110.3 .
C24 C25 H25A 110.3 .
N1 C25 H25B 110.3 .
C24 C25 H25B 110.3 .
H25A C25 H25B 108.6 .
O2 C19 C20 118.3(2) .
O2 C19 C18 123.56(19) .
C20 C19 C18 118.14(19) .
C29 C28 C27 120.8(2) .
C29 C28 H28 119.6 .
C27 C28 H28 119.6 .
C14 C13 C12 121.3(2) .
C14 C13 H13 119.4 .
C12 C13 H13 119.4 .
C3 C2 C7 119.4(2) .
C3 C2 C1 118.3(2) .
C7 C2 C1 122.4(2) .
C21 C20 C19 120.8(2) .
C21 C20 H20 119.6 .
C19 C20 H20 119.6 .
C20 C21 C22 121.1(2) .
C20 C21 H21 119.4 .
C22 C21 H21 119.4 .
N2 C24 C25 106.91(17) .
N2 C24 H24A 110.3 .
C25 C24 H24A 110.3 .
N2 C24 H24B 110.3 .
C25 C24 H24B 110.3 .
H24A C24 H24B 108.6 .
N4 C8 C9 107.27(17) .
N4 C8 H8A 110.3 .
C9 C8 H8A 110.3 .
N4 C8 H8B 110.3 .
C9 C8 H8B 110.3 .
H8A C8 H8B 108.5 .
C36 C36 C35 112.4(2) 2_676
C36 C36 H36A 109.1 2_676
C35 C36 H36A 109.1 .
C36 C36 H36B 109.1 2_676
C35 C36 H36B 109.1 .
H36A C36 H36B 107.9 .
C31 C30 C29 120.8(2) .
C31 C30 H30 119.6 .
C29 C30 H30 119.6 .
C4 C3 C2 121.7(2) .
C4 C3 H3 119.1 .
C2 C3 H3 119.1 .
C28 C29 C30 119.6(2) .
C28 C29 H29 120.2 .
C30 C29 H29 120.2 .
N3 C9 C8 106.94(17) .
N3 C9 H9A 110.3 .
C8 C9 H9A 110.3 .
N3 C9 H9B 110.3 .
C8 C9 H9B 110.3 .
H9A C9 H9B 108.6 .
C13 C14 C15 120.8(2) .
C13 C14 H14 119.6 .
C15 C14 H14 119.6 .
N3 C10 C11 123.9(2) .
N3 C10 H10 118.0 .
C11 C10 H10 118.0 .
C15 C16 C11 121.3(2) .
C15 C16 H16 119.3 .
C11 C16 H16 119.3 .
C5 C6 C7 120.8(2) .
C5 C6 H6 119.6 .
C7 C6 H6 119.6 .
C36 C35 C34 113.54(19) .
C36 C35 H35A 108.9 .
C34 C35 H35A 108.9 .
C36 C35 H35B 108.9 .
C34 C35 H35B 108.9 .
H35A C35 H35B 107.7 .
C3 C4 C5 118.4(2) .
C3 C4 H4 120.8 .
C5 C4 H4 120.8 .
C16 C15 C14 119.2(2) .
C16 C15 H15 120.4 .
C14 C15 H15 120.4 .
C6 C5 C4 121.6(2) .
C6 C5 H5 119.2 .
C4 C5 H5 119.2 .
C37 O7 H7 109.5 .
O7 C37 H37A 109.5 .
O7 C37 H37B 109.5 .
H37A C37 H37B 109.5 .
O7 C37 H37C 109.5 .
H37A C37 H37C 109.5 .
H37B C37 H37C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 1.8715(14) .
Mn1 O4 1.9005(14) .
Mn1 N4 1.9750(18) .
Mn1 N3 1.9847(17) .
Mn1 O6 2.0911(15) .
Mn2 O2 1.8781(15) .
Mn2 O1 1.8906(14) .
Mn2 N2 1.9846(17) .
Mn2 N1 1.9921(18) .
Mn2 O5 2.1195(14) .
P1 F6 1.5800(15) .
P1 F4 1.5857(14) .
P1 F1 1.6021(14) .
P1 F3 1.6024(15) .
P1 F2 1.6049(15) .
P1 F5 1.6057(15) .
O5 C33 1.265(2) .
O1 C32 1.348(2) .
O2 C19 1.329(2) .
O6 C33 1.268(2) .
O4 C12 1.343(3) .
O3 C7 1.324(2) .
N1 C26 1.285(2) .
N1 C25 1.472(3) .
N4 C1 1.286(3) .
N4 C8 1.471(3) .
N3 C10 1.286(3) .
N3 C9 1.466(3) .
N2 C17 1.296(2) .
N2 C24 1.476(3) .
C27 C28 1.405(3) .
C27 C32 1.410(3) .
C27 C26 1.439(3) .
C12 C13 1.397(3) .
C12 C11 1.426(3) .
C18 C23 1.406(3) .
C18 C19 1.414(3) .
C18 C17 1.430(3) .
C1 C2 1.441(3) .
C1 H1 0.9500 .
C7 C6 1.408(3) .
C7 C2 1.417(3) .
C26 H26 0.9500 .
C32 C31 1.402(3) .
C11 C16 1.405(3) .
C11 C10 1.447(3) .
C34 C33 1.507(3) .
C34 C35 1.530(3) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C31 C30 1.383(3) .
C31 H31 0.9500 .
C23 C22 1.375(3) .
C23 H23 0.9500 .
C22 C21 1.399(3) .
C22 H22 0.9500 .
C17 H17 0.9500 .
C25 C24 1.518(3) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C19 C20 1.408(3) .
C28 C29 1.372(3) .
C28 H28 0.9500 .
C13 C14 1.381(3) .
C13 H13 0.9500 .
C2 C3 1.405(3) .
C20 C21 1.378(3) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C8 C9 1.524(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C36 C36 1.522(4) 2_676
C36 C35 1.524(3) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C30 C29 1.388(3) .
C30 H30 0.9500 .
C3 C4 1.377(3) .
C3 H3 0.9500 .
C29 H29 0.9500 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C14 C15 1.392(3) .
C14 H14 0.9500 .
C10 H10 0.9500 .
C16 C15 1.379(3) .
C16 H16 0.9500 .
C6 C5 1.375(3) .
C6 H6 0.9500 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C4 C5 1.391(3) .
C4 H4 0.9500 .
C15 H15 0.9500 .
C5 H5 0.9500 .
O7 C37 1.452(4) .
O7 H7 0.8400 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
