#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:23:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179841 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/37/7013735.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_7013735
loop_
_publ_author_name
'Adams, Christopher J.'
'Anderson, Kirsty M.'
'Bardaji, Manuel'
'Connelly, Neil G.'
'Goodwin, Nicholas J.'
'Llamas-Rey, Estefania'
'Orpen, A. Guy'
'Rieger, Philip H.'
_publ_section_title
;
 Bi- and poly-metallic cyanide-bridged complexes of the redox-active
 cyanomanganese nitrosyl unit [Mn(CN)(PR3)(NO)(eta-C5H4Me)].
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              683
_journal_page_last               694
_journal_paper_doi               10.1039/b313654j
_journal_year                    2004
_chemical_formula_sum            'C70 H76 F6 Mn5 N13 O9 P'
_chemical_formula_weight         1663.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 108.690(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.525(2)
_cell_length_b                   12.1585(10)
_cell_length_c                   24.814(2)
_cell_measurement_reflns_used    77
_cell_measurement_temperature    173(2)
_cell_volume                     7580.6(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens CCD area detector'
_diffrn_measurement_method       'ω scans with narrow frames'
_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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            19944
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.909
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.814295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             3412
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.877
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         6669
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0950
_refine_ls_R_factor_gt           0.0577
_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)+(0.0718P)²+27.2869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1558
_reflns_number_gt                4491
_reflns_number_total             6669
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b313654j.txt
_cod_data_source_block           32.2acetone
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        7580.8(11)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7013735
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.0000 0.82145(8) 0.2500 0.0233(2) Uani 1 2 d S . .
Mn2 Mn 0.13351(3) 0.75686(6) 0.13890(3) 0.0334(2) Uani 1 1 d . . .
Mn3 Mn 0.09676(3) 0.49530(6) 0.37815(3) 0.0305(2) Uani 1 1 d . . .
N1 N 0.04858(16) 0.7043(3) 0.31012(16) 0.0351(10) Uani 1 1 d . . .
N2 N 0.05491(17) 0.8274(4) 0.20116(18) 0.0398(10) Uani 1 1 d . . .
N3 N 0.15161(17) 0.6554(3) 0.47359(18) 0.0384(10) Uani 1 1 d . . .
N4 N 0.14538(18) 0.4796(3) 0.3508(2) 0.0419(11) Uani 1 1 d . . .
N5 N 0.09331(16) 0.9550(3) 0.06122(17) 0.0337(9) Uani 1 1 d . . .
N6 N 0.09581(17) 0.6653(3) 0.09527(18) 0.0365(10) Uani 1 1 d . . .
O1 O 0.17954(17) 0.4622(3) 0.3307(2) 0.0665(13) Uani 1 1 d . . .
O2 O 0.07039(16) 0.5963(3) 0.06403(17) 0.0512(10) Uani 1 1 d . . .
O3 O 0.03291(14) 0.9901(3) 0.28892(15) 0.0413(9) Uani 1 1 d . . .
O4 O 0.0000 1.1449(5) 0.2500 0.086(2) Uani 1 2 d S . .
C1 C 0.06591(19) 0.6258(4) 0.3347(2) 0.0311(11) Uani 1 1 d . . .
C2 C 0.0836(2) 0.8017(4) 0.1775(2) 0.0346(11) Uani 1 1 d . . .
C3 C -0.0358(2) 0.4869(5) 0.3219(3) 0.0500(15) Uani 1 1 d . . .
H3A H -0.0666 0.4467 0.3255 0.075 Uiso 1 1 calc R . .
H3B H -0.0360 0.4836 0.2823 0.075 Uiso 1 1 calc R . .
H3C H -0.0376 0.5638 0.3329 0.075 Uiso 1 1 calc R . .
C4 C 0.0143(2) 0.4358(4) 0.3600(2) 0.0380(12) Uani 1 1 d . . .
C5 C 0.0387(2) 0.4549(4) 0.4181(2) 0.0421(13) Uani 1 1 d . . .
H5A H 0.0252 0.5058 0.4421 0.050 Uiso 1 1 calc R . .
C6 C 0.0852(2) 0.3838(4) 0.4388(2) 0.0440(13) Uani 1 1 d . . .
H6A H 0.1084 0.3744 0.4791 0.053 Uiso 1 1 calc R . .
C7 C 0.0881(2) 0.3259(4) 0.3922(2) 0.0438(13) Uani 1 1 d . . .
H7A H 0.1152 0.2681 0.3931 0.053 Uiso 1 1 calc R . .
C8 C 0.0457(2) 0.3575(4) 0.3430(2) 0.0405(13) Uani 1 1 d . . .
H8A H 0.0382 0.3267 0.3038 0.049 Uiso 1 1 calc R . .
C9 C 0.1316(2) 0.5936(4) 0.4381(2) 0.0366(12) Uani 1 1 d . . .
C10 C 0.17297(18) 0.7369(4) 0.5136(2) 0.0313(11) Uani 1 1 d . . .
C11 C 0.19254(19) 0.8324(4) 0.4961(2) 0.0359(12) Uani 1 1 d . . .
C12 C 0.2131(2) 0.9120(4) 0.5377(3) 0.0505(16) Uani 1 1 d . . .
H12A H 0.2276 0.9778 0.5281 0.061 Uiso 1 1 calc R . .
C13 C 0.2129(2) 0.8966(5) 0.5928(3) 0.0541(16) Uani 1 1 d . . .
H13A H 0.2267 0.9523 0.6204 0.065 Uiso 1 1 calc R . .
C14 C 0.1930(2) 0.8027(5) 0.6078(2) 0.0495(15) Uani 1 1 d . . .
H14A H 0.1930 0.7940 0.6459 0.059 Uiso 1 1 calc R . .
C15 C 0.1730(2) 0.7203(4) 0.5692(2) 0.0390(12) Uani 1 1 d . . .
C16 C 0.1515(3) 0.6152(5) 0.5857(3) 0.0684(19) Uani 1 1 d . . .
H16A H 0.1568 0.6158 0.6266 0.103 Uiso 1 1 calc R . .
H16B H 0.1702 0.5521 0.5764 0.103 Uiso 1 1 calc R . .
H16C H 0.1134 0.6093 0.5647 0.103 Uiso 1 1 calc R . .
C17 C 0.1900(2) 0.8479(5) 0.4357(3) 0.0574(16) Uani 1 1 d . . .
H17A H 0.2085 0.7869 0.4241 0.086 Uiso 1 1 calc R . .
H17B H 0.2072 0.9175 0.4319 0.086 Uiso 1 1 calc R . .
H17C H 0.1527 0.8493 0.4113 0.086 Uiso 1 1 calc R . .
C18 C 0.1766(3) 0.7393(8) 0.2791(3) 0.104(3) Uani 1 1 d . . .
H18A H 0.2095 0.7378 0.3116 0.156 Uiso 1 1 calc R . .
H18B H 0.1554 0.6735 0.2798 0.156 Uiso 1 1 calc R . .
H18C H 0.1560 0.8051 0.2813 0.156 Uiso 1 1 calc R . .
C19 C 0.1902(2) 0.7414(6) 0.2246(2) 0.0579(17) Uani 1 1 d . . .
C20 C 0.1927(2) 0.6477(5) 0.1926(3) 0.0559(17) Uani 1 1 d . . .
H20A H 0.1866 0.5702 0.2025 0.067 Uiso 1 1 calc R . .
C21 C 0.2079(2) 0.6816(5) 0.1452(3) 0.0471(14) Uani 1 1 d . . .
H21A H 0.2148 0.6316 0.1163 0.057 Uiso 1 1 calc R . .
C22 C 0.2142(2) 0.7952(5) 0.1473(2) 0.0430(13) Uani 1 1 d . . .
H22A H 0.2264 0.8407 0.1203 0.052 Uiso 1 1 calc R . .
C23 C 0.2022(2) 0.8351(5) 0.1961(2) 0.0431(13) Uani 1 1 d . . .
H23A H 0.2046 0.9131 0.2095 0.052 Uiso 1 1 calc R . .
C24 C 0.11023(19) 0.8820(4) 0.0911(2) 0.0333(11) Uani 1 1 d . . .
C25 C 0.07064(18) 1.0426(4) 0.0253(2) 0.0290(10) Uani 1 1 d . . .
C26 C 0.06827(18) 1.0356(4) -0.0317(2) 0.0288(10) Uani 1 1 d . . .
C27 C 0.04598(19) 1.1234(4) -0.0668(2) 0.0331(11) Uani 1 1 d . . .
H27A H 0.0437 1.1213 -0.1057 0.040 Uiso 1 1 calc R . .
C28 C 0.0272(2) 1.2133(4) -0.0460(2) 0.0397(13) Uani 1 1 d . . .
H28A H 0.0125 1.2731 -0.0707 0.048 Uiso 1 1 calc R . .
C29 C 0.0291(2) 1.2186(4) 0.0106(2) 0.0400(13) Uani 1 1 d . . .
H29A H 0.0152 1.2812 0.0239 0.048 Uiso 1 1 calc R . .
C30 C 0.05132(19) 1.1322(4) 0.0480(2) 0.0344(11) Uani 1 1 d . . .
C31 C 0.0543(2) 1.1345(5) 0.1096(2) 0.0515(15) Uani 1 1 d . . .
H31A H 0.0368 1.0689 0.1182 0.077 Uiso 1 1 calc R . .
H31B H 0.0363 1.2005 0.1169 0.077 Uiso 1 1 calc R . .
H31C H 0.0916 1.1356 0.1337 0.077 Uiso 1 1 calc R . .
C32 C 0.0890(2) 0.9355(4) -0.0538(2) 0.0404(12) Uani 1 1 d . . .
H32A H 0.0811 0.9420 -0.0951 0.061 Uiso 1 1 calc R . .
H32B H 0.0717 0.8694 -0.0453 0.061 Uiso 1 1 calc R . .
H32C H 0.1275 0.9299 -0.0354 0.061 Uiso 1 1 calc R . .
N7 N 0.0000 1.0437(5) 0.2500 0.0437(16) Uani 1 2 d S . .
O99 O 0.31484(17) 0.5948(4) 0.26748(17) 0.0605(11) Uani 1 1 d . . .
C97 C 0.3326(3) 0.5516(8) 0.1829(3) 0.092(3) Uani 1 1 d . . .
H97A H 0.3068 0.4925 0.1804 0.138 Uiso 1 1 calc R . .
H97B H 0.3675 0.5196 0.1870 0.138 Uiso 1 1 calc R . .
H97C H 0.3209 0.5965 0.1483 0.138 Uiso 1 1 calc R . .
C98 C 0.3365(2) 0.6218(6) 0.2333(2) 0.0552(16) Uani 1 1 d . . .
C99 C 0.3671(3) 0.7257(7) 0.2405(4) 0.099(3) Uani 1 1 d . . .
H99A H 0.3642 0.7653 0.2738 0.149 Uiso 1 1 calc R . .
H99B H 0.3528 0.7714 0.2065 0.149 Uiso 1 1 calc R . .
H99C H 0.4046 0.7090 0.2461 0.149 Uiso 1 1 calc R . .
P1 P 0.2500 0.7500 0.0000 0.0393(5) Uani 1 2 d S . .
F1 F 0.27779(18) 0.8162(6) 0.0552(2) 0.136(2) Uani 1 1 d . . .
F2 F 0.19605(15) 0.7721(4) 0.01200(16) 0.0932(15) Uani 1 1 d . . .
F3 F 0.2577(3) 0.6459(4) 0.0364(3) 0.167(3) 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'
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
_geom_angle_publ_flag
N1 Mn1 N1 97.7(2) 2 . ?
N1 Mn1 N2 92.80(15) 2 2 ?
N1 Mn1 N2 89.70(16) . 2 ?
N1 Mn1 N2 89.71(16) 2 . ?
N1 Mn1 N2 92.80(15) . . ?
N2 Mn1 N2 176.2(2) 2 . ?
N1 Mn1 O3 103.53(14) 2 2 ?
N1 Mn1 O3 158.79(14) . 2 ?
N2 Mn1 O3 88.44(15) 2 2 ?
N2 Mn1 O3 88.19(15) . 2 ?
N1 Mn1 O3 158.79(14) 2 . ?
N1 Mn1 O3 103.53(14) . . ?
N2 Mn1 O3 88.18(15) 2 . ?
N2 Mn1 O3 88.44(15) . . ?
O3 Mn1 O3 55.30(18) 2 . ?
N6 Mn2 C24 97.1(2) . . ?
N6 Mn2 C2 98.5(2) . . ?
C24 Mn2 C2 86.94(19) . . ?
N6 Mn2 C22 126.1(2) . . ?
C24 Mn2 C22 90.1(2) . . ?
C2 Mn2 C22 135.3(2) . . ?
N6 Mn2 C21 96.3(2) . . ?
C24 Mn2 C21 119.7(2) . . ?
C2 Mn2 C21 147.5(2) . . ?
C22 Mn2 C21 38.0(2) . . ?
N6 Mn2 C23 160.7(2) . . ?
C24 Mn2 C23 95.4(2) . . ?
C2 Mn2 C23 96.8(2) . . ?
C22 Mn2 C23 39.18(19) . . ?
C21 Mn2 C23 64.6(2) . . ?
N6 Mn2 C20 99.1(2) . . ?
C24 Mn2 C20 154.3(2) . . ?
C2 Mn2 C20 110.1(2) . . ?
C22 Mn2 C20 64.3(2) . . ?
C21 Mn2 C20 38.6(2) . . ?
C23 Mn2 C20 64.4(2) . . ?
N6 Mn2 C19 131.7(2) . . ?
C24 Mn2 C19 131.2(3) . . ?
C2 Mn2 C19 84.8(2) . . ?
C22 Mn2 C19 64.4(2) . . ?
C21 Mn2 C19 63.9(2) . . ?
C23 Mn2 C19 38.6(2) . . ?
C20 Mn2 C19 37.7(2) . . ?
N4 Mn3 C9 98.5(2) . . ?
N4 Mn3 C1 96.4(2) . . ?
C9 Mn3 C1 86.1(2) . . ?
N4 Mn3 C7 95.5(2) . . ?
C9 Mn3 C7 122.4(2) . . ?
C1 Mn3 C7 146.9(2) . . ?
N4 Mn3 C6 121.9(2) . . ?
C9 Mn3 C6 89.5(2) . . ?
C1 Mn3 C6 141.6(2) . . ?
C7 Mn3 C6 38.0(2) . . ?
N4 Mn3 C5 159.8(2) . . ?
C9 Mn3 C5 91.3(2) . . ?
C1 Mn3 C5 101.9(2) . . ?
C7 Mn3 C5 64.4(2) . . ?
C6 Mn3 C5 40.0(2) . . ?
N4 Mn3 C8 102.4(2) . . ?
C9 Mn3 C8 152.9(2) . . ?
C1 Mn3 C8 108.2(2) . . ?
C7 Mn3 C8 38.9(2) . . ?
C6 Mn3 C8 64.9(2) . . ?
C5 Mn3 C8 63.7(2) . . ?
N4 Mn3 C4 137.0(2) . . ?
C9 Mn3 C4 124.5(2) . . ?
C1 Mn3 C4 86.60(19) . . ?
C7 Mn3 C4 64.0(2) . . ?
C6 Mn3 C4 64.9(2) . . ?
C5 Mn3 C4 37.51(19) . . ?
C8 Mn3 C4 37.84(19) . . ?
C1 N1 Mn1 164.5(4) . . ?
C2 N2 Mn1 162.2(4) . . ?
C9 N3 C10 175.0(5) . . ?
O1 N4 Mn3 176.3(4) . . ?
C24 N5 C25 177.5(5) . . ?
O2 N6 Mn2 177.2(4) . . ?
N7 O3 Mn1 93.6(3) . . ?
N1 C1 Mn3 178.4(5) . . ?
N2 C2 Mn2 178.7(4) . . ?
C5 C4 C8 107.3(5) . . ?
C5 C4 C3 127.3(5) . . ?
C8 C4 C3 125.4(5) . . ?
C5 C4 Mn3 68.6(3) . . ?
C8 C4 Mn3 69.0(3) . . ?
C3 C4 Mn3 127.9(4) . . ?
C4 C5 C6 108.8(5) . . ?
C4 C5 Mn3 73.9(3) . . ?
C6 C5 Mn3 69.3(3) . . ?
C7 C6 C5 106.1(5) . . ?
C7 C6 Mn3 70.8(3) . . ?
C5 C6 Mn3 70.7(3) . . ?
C6 C7 C8 110.0(5) . . ?
C6 C7 Mn3 71.3(3) . . ?
C8 C7 Mn3 72.1(3) . . ?
C4 C8 C7 107.7(5) . . ?
C4 C8 Mn3 73.1(3) . . ?
C7 C8 Mn3 69.0(3) . . ?
N3 C9 Mn3 178.1(5) . . ?
N3 C10 C15 118.3(4) . . ?
N3 C10 C11 118.6(4) . . ?
C15 C10 C11 123.1(5) . . ?
C12 C11 C10 116.3(5) . . ?
C12 C11 C17 122.6(5) . . ?
C10 C11 C17 121.1(5) . . ?
C13 C12 C11 120.9(5) . . ?
C14 C13 C12 120.7(5) . . ?
C13 C14 C15 121.3(6) . . ?
C14 C15 C10 117.6(5) . . ?
C14 C15 C16 121.7(5) . . ?
C10 C15 C16 120.7(5) . . ?
C20 C19 C23 108.1(5) . . ?
C20 C19 C18 124.2(7) . . ?
C23 C19 C18 127.8(7) . . ?
C20 C19 Mn2 70.2(3) . . ?
C23 C19 Mn2 69.1(3) . . ?
C18 C19 Mn2 125.9(4) . . ?
C19 C20 C21 108.1(5) . . ?
C19 C20 Mn2 72.1(3) . . ?
C21 C20 Mn2 69.8(3) . . ?
C22 C21 C20 108.6(5) . . ?
C22 C21 Mn2 70.9(3) . . ?
C20 C21 Mn2 71.6(3) . . ?
C21 C22 C23 108.1(5) . . ?
C21 C22 Mn2 71.1(3) . . ?
C23 C22 Mn2 70.6(3) . . ?
C19 C23 C22 107.1(5) . . ?
C19 C23 Mn2 72.4(3) . . ?
C22 C23 Mn2 70.2(3) . . ?
N5 C24 Mn2 176.1(5) . . ?
N5 C25 C30 118.5(4) . . ?
N5 C25 C26 118.0(4) . . ?
C30 C25 C26 123.5(4) . . ?
C27 C26 C25 117.4(4) . . ?
C27 C26 C32 121.7(4) . . ?
C25 C26 C32 120.9(4) . . ?
C28 C27 C26 120.9(5) . . ?
C27 C28 C29 121.2(5) . . ?
C28 C29 C30 120.4(5) . . ?
C25 C30 C29 116.7(4) . . ?
C25 C30 C31 121.1(5) . . ?
C29 C30 C31 122.2(5) . . ?
O4 N7 O3 121.2(3) . 2 ?
O4 N7 O3 121.2(3) . . ?
O3 N7 O3 117.6(6) 2 . ?
O99 C98 C99 120.7(7) . . ?
O99 C98 C97 120.8(7) . . ?
C99 C98 C97 118.5(7) . . ?
F3 P1 F3 179.997(1) . 7_565 ?
F3 P1 F1 88.4(4) . . ?
F3 P1 F1 91.6(4) 7_565 . ?
F3 P1 F1 91.6(4) . 7_565 ?
F3 P1 F1 88.4(4) 7_565 7_565 ?
F1 P1 F1 180.0(2) . 7_565 ?
F3 P1 F2 89.3(3) . . ?
F3 P1 F2 90.7(3) 7_565 . ?
F1 P1 F2 87.0(2) . . ?
F1 P1 F2 93.0(2) 7_565 . ?
F3 P1 F2 90.7(3) . 7_565 ?
F3 P1 F2 89.3(3) 7_565 7_565 ?
F1 P1 F2 93.0(2) . 7_565 ?
F1 P1 F2 87.0(2) 7_565 7_565 ?
F2 P1 F2 180.0 . 7_565 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 N1 2.164(4) 2 ?
Mn1 N1 2.164(4) . ?
Mn1 N2 2.174(4) 2 ?
Mn1 N2 2.174(4) . ?
Mn1 O3 2.315(3) 2 ?
Mn1 O3 2.315(3) . ?
Mn2 N6 1.649(5) . ?
Mn2 C24 1.906(5) . ?
Mn2 C2 1.945(5) . ?
Mn2 C22 2.134(5) . ?
Mn2 C21 2.136(5) . ?
Mn2 C23 2.140(6) . ?
Mn2 C20 2.159(5) . ?
Mn2 C19 2.184(6) . ?
Mn3 N4 1.650(5) . ?
Mn3 C9 1.901(5) . ?
Mn3 C1 1.945(5) . ?
Mn3 C7 2.113(5) . ?
Mn3 C6 2.119(5) . ?
Mn3 C5 2.139(5) . ?
Mn3 C8 2.155(5) . ?
Mn3 C4 2.208(5) . ?
N1 C1 1.147(6) . ?
N2 C2 1.143(6) . ?
N3 C9 1.150(6) . ?
N3 C10 1.389(6) . ?
N4 O1 1.185(5) . ?
N5 C24 1.152(6) . ?
N5 C25 1.395(6) . ?
N6 O2 1.194(5) . ?
O3 N7 1.256(4) . ?
O4 N7 1.230(8) . ?
C3 C4 1.497(7) . ?
C4 C5 1.399(7) . ?
C4 C8 1.415(7) . ?
C5 C6 1.458(8) . ?
C6 C7 1.376(7) . ?
C7 C8 1.422(8) . ?
C10 C15 1.394(7) . ?
C10 C11 1.397(7) . ?
C11 C12 1.393(8) . ?
C11 C17 1.490(7) . ?
C12 C13 1.381(9) . ?
C13 C14 1.359(8) . ?
C14 C15 1.371(7) . ?
C15 C16 1.509(8) . ?
C18 C19 1.509(9) . ?
C19 C20 1.402(9) . ?
C19 C23 1.428(8) . ?
C20 C21 1.422(8) . ?
C21 C22 1.390(8) . ?
C22 C23 1.433(7) . ?
C25 C30 1.396(7) . ?
C25 C26 1.399(6) . ?
C26 C27 1.385(6) . ?
C26 C32 1.509(7) . ?
C27 C28 1.368(7) . ?
C28 C29 1.390(7) . ?
C29 C30 1.402(7) . ?
C30 C31 1.504(7) . ?
N7 O3 1.256(4) 2 ?
O99 C98 1.211(7) . ?
C97 C98 1.490(9) . ?
C98 C99 1.481(10) . ?
P1 F3 1.530(5) . ?
P1 F3 1.530(5) 7_565 ?
P1 F1 1.556(4) . ?
P1 F1 1.556(4) 7_565 ?
P1 F2 1.575(3) . ?
P1 F2 1.575(3) 7_565 ?
