#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/33/7023395.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_7023395
loop_
_publ_author_name
'Leto, Domenick F.'
'Chattopadhyay, Swarup'
'Day, Victor W.'
'Jackson, Timothy A.'
_publ_section_title
;
 Reaction landscape of a pentadentate N5-ligated Mn(II) complex with
 O2˙- and H2O2 includes conversion of a peroxomanganese(III) adduct
 to a bis(μ-oxo)dimanganese(III,IV) species.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13014
_journal_page_last               13025
_journal_paper_doi               10.1039/c3dt51277k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C46 H42 F18 Mn2 N10 O2.5 P3'
_chemical_formula_weight         1319.69
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 105.4270(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.7399(6)
_cell_length_b                   12.5771(3)
_cell_length_c                   17.9093(4)
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      68.83
_cell_measurement_theta_min      3.56
_cell_volume                     5588.9(2)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Helios multilayer optics'
_diffrn_radiation_source         'Bruker MicroStar microfocus rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            47713
_diffrn_reflns_theta_full        66.00
_diffrn_reflns_theta_max         69.22
_diffrn_reflns_theta_min         3.56
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.472
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.745
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             2660
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.907
_refine_diff_density_min         -1.128
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     745
_refine_ls_number_reflns         9913
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.1456
_refine_ls_R_factor_gt           0.1262
_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)+(0.1375P)²+39.0858P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3186
_refine_ls_wR_factor_ref         0.3300
_reflns_number_gt                7847
_reflns_number_total             9913
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51277k.txt
_cod_data_source_block           q91a
_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      P2(1)/c
_cod_original_formula_sum        'C46 H42 F18 Mn2 N10 O2.50 P3'
_cod_database_code               7023395
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Mn1 Mn 0.17767(5) 0.06694(10) -0.00829(7) 0.0421(3) Uani 1 1 d .
Mn2 Mn 0.27855(5) 0.00258(10) 0.04703(7) 0.0463(4) Uani 1 1 d .
O1 O 0.2262(2) 0.0662(4) 0.0840(3) 0.0461(12) Uani 1 1 d .
O2 O 0.2273(2) 0.0072(4) -0.0463(3) 0.0460(12) Uani 1 1 d .
N1A N 0.1159(2) 0.1343(5) 0.0322(4) 0.0445(14) Uani 1 1 d .
N2A N 0.1203(3) 0.0743(5) -0.1128(3) 0.0438(14) Uani 1 1 d .
N3A N 0.1895(3) 0.2234(5) -0.0301(4) 0.0462(15) Uani 1 1 d .
N4A N 0.1411(2) -0.0643(5) 0.0173(4) 0.0442(15) Uani 1 1 d .
N5A N 0.0245(3) 0.1078(6) 0.1074(4) 0.0547(17) Uani 1 1 d .
C1A C 0.0640(3) 0.1328(7) -0.0318(4) 0.0466(18) Uani 1 1 d .
H1AA H 0.0411 0.0736 -0.0226 0.056 Uiso 1 1 calc R
H1AB H 0.0442 0.2001 -0.0307 0.056 Uiso 1 1 calc R
C2A C 0.0741(3) 0.1194(6) -0.1104(4) 0.0459(18) Uani 1 1 d .
C3A C 0.0354(4) 0.1460(7) -0.1786(5) 0.052(2) Uani 1 1 d .
H3A H 0.0029 0.1810 -0.1772 0.063 Uiso 1 1 calc R
C4A C 0.0460(4) 0.1193(7) -0.2489(5) 0.058(2) Uani 1 1 d .
H4A H 0.0199 0.1343 -0.2963 0.070 Uiso 1 1 calc R
C5A C 0.0933(4) 0.0720(7) -0.2499(5) 0.055(2) Uani 1 1 d .
H5A H 0.1005 0.0541 -0.2977 0.066 Uiso 1 1 calc R
C6A C 0.1309(4) 0.0502(7) -0.1805(5) 0.0514(19) Uani 1 1 d .
H6A H 0.1644 0.0183 -0.1807 0.062 Uiso 1 1 calc R
C7A C 0.1344(3) 0.2446(6) 0.0580(4) 0.0475(18) Uani 1 1 d .
H7AA H 0.1031 0.2889 0.0605 0.057 Uiso 1 1 calc R
H7AB H 0.1597 0.2422 0.1104 0.057 Uiso 1 1 calc R
C8A C 0.1617(3) 0.2922(6) 0.0024(5) 0.0460(17) Uani 1 1 d .
C9A C 0.1613(4) 0.3996(7) -0.0153(5) 0.057(2) Uani 1 1 d .
H9A H 0.1415 0.4486 0.0067 0.069 Uiso 1 1 calc R
C10A C 0.1902(4) 0.4341(7) -0.0657(5) 0.063(2) Uani 1 1 d .
H10A H 0.1911 0.5076 -0.0775 0.075 Uiso 1 1 calc R
C11A C 0.2173(4) 0.3621(8) -0.0984(5) 0.060(2) Uani 1 1 d .
H11A H 0.2367 0.3851 -0.1339 0.072 Uiso 1 1 calc R
C12A C 0.2164(3) 0.2562(7) -0.0796(5) 0.0496(19) Uani 1 1 d .
H12A H 0.2352 0.2060 -0.1022 0.060 Uiso 1 1 calc R
C13A C 0.1144(3) 0.0637(6) 0.0995(4) 0.0437(17) Uani 1 1 d .
H13A H 0.1509 0.0697 0.1368 0.052 Uiso 1 1 calc R
C14A C 0.1113(3) -0.0483(6) 0.0670(4) 0.0443(17) Uani 1 1 d .
C15A C 0.0831(3) -0.1304(7) 0.0895(5) 0.0520(19) Uani 1 1 d .
H15A H 0.0629 -0.1185 0.1260 0.062 Uiso 1 1 calc R
C16A C 0.0849(4) -0.2306(7) 0.0579(5) 0.058(2) Uani 1 1 d .
H16A H 0.0658 -0.2883 0.0723 0.069 Uiso 1 1 calc R
C17A C 0.1150(3) -0.2455(7) 0.0054(5) 0.058(2) Uani 1 1 d .
H17A H 0.1163 -0.3135 -0.0172 0.069 Uiso 1 1 calc R
C18A C 0.1431(3) -0.1617(6) -0.0143(5) 0.0497(19) Uani 1 1 d .
H18A H 0.1641 -0.1722 -0.0501 0.060 Uiso 1 1 calc R
C19A C 0.0753(3) 0.0893(6) 0.1451(4) 0.0457(17) Uani 1 1 d .
C20A C 0.0922(4) 0.0857(8) 0.2252(5) 0.059(2) Uani 1 1 d .
H20A H 0.1291 0.0741 0.2506 0.071 Uiso 1 1 calc R
C21A C 0.0553(4) 0.0990(8) 0.2680(5) 0.062(2) Uani 1 1 d .
H21A H 0.0659 0.0928 0.3229 0.075 Uiso 1 1 calc R
C22A C 0.0034(3) 0.1213(6) 0.2292(5) 0.0516(19) Uani 1 1 d .
H22A H -0.0231 0.1329 0.2566 0.062 Uiso 1 1 calc R
C23A C -0.0102(3) 0.1267(7) 0.1495(5) 0.057(2) Uani 1 1 d .
H23A H -0.0462 0.1448 0.1230 0.068 Uiso 1 1 calc R
N1B N 0.3375(2) -0.0734(5) 0.0016(3) 0.0547(17) Uani 1 1 d .
N2B N 0.3377(2) -0.0024(5) 0.1527(3) 0.073(2) Uani 1 1 d R
N3B N 0.2706(3) -0.1741(6) 0.0687(5) 0.062(2) Uani 1 1 d .
N4B N 0.3276(3) 0.1390(6) 0.0234(4) 0.0601(19) Uani 1 1 d .
N5B N 0.4368(3) -0.0527(6) -0.0684(4) 0.127(5) Uani 1 1 d R
C1B C 0.3879(2) -0.0842(6) 0.0681(4) 0.059(2) Uani 1 1 d .
H1BA H 0.4021 -0.1574 0.0678 0.071 Uiso 1 1 calc R
H1BB H 0.4156 -0.0347 0.0592 0.071 Uiso 1 1 calc R
C2B C 0.3800(2) -0.0625(6) 0.1454(4) 0.102(5) Uani 1 1 d R
C3B C 0.4176(2) -0.1088(6) 0.2075(4) 0.162(8) Uani 1 1 d RU
H3BA H 0.4446 -0.1544 0.1981 0.194 Uiso 1 1 calc R
C4B C 0.4159(2) -0.0884(6) 0.2831(4) 0.227(13) Uani 1 1 d RU
H4BA H 0.4416 -0.1201 0.3253 0.272 Uiso 1 1 calc R
C5B C 0.3765(2) -0.0218(6) 0.2968(4) 0.32(2) Uani 1 1 d RU
H5BA H 0.3752 -0.0077 0.3484 0.379 Uiso 1 1 calc R
C6B C 0.3388(2) 0.0245(6) 0.2347(4) 0.186(9) Uani 1 1 d RU
H6BA H 0.3134 0.0738 0.2445 0.223 Uiso 1 1 calc R
C7B C 0.3149(4) -0.1767(8) -0.0312(6) 0.071(3) Uani 1 1 d .
H7BA H 0.3435 -0.2201 -0.0438 0.085 Uiso 1 1 calc R
H7BB H 0.2861 -0.1649 -0.0795 0.085 Uiso 1 1 calc R
C8B C 0.2924(4) -0.2344(8) 0.0265(6) 0.064(2) Uani 1 1 d .
C9B C 0.2936(5) -0.3480(9) 0.0353(8) 0.087(4) Uani 1 1 d .
H9B H 0.3104 -0.3918 0.0053 0.104 Uiso 1 1 calc R
C10B C 0.2703(5) -0.3899(10) 0.0866(8) 0.091(4) Uani 1 1 d .
H10B H 0.2692 -0.4649 0.0921 0.109 Uiso 1 1 calc R
C11B C 0.2482(4) -0.3262(10) 0.1311(7) 0.081(3) Uani 1 1 d .
H11B H 0.2327 -0.3560 0.1689 0.097 Uiso 1 1 calc R
C12B C 0.2487(4) -0.2193(8) 0.1211(6) 0.065(2) Uani 1 1 d .
H12B H 0.2329 -0.1750 0.1521 0.077 Uiso 1 1 calc R
C13B C 0.3485(4) 0.0005(8) -0.0575(5) 0.065(2) Uani 1 1 d .
H13B H 0.3126 0.0069 -0.0961 0.077 Uiso 1 1 calc R
C14B C 0.3583(3) 0.1102(8) -0.0247(6) 0.063(2) Uani 1 1 d .
C15B C 0.3938(5) 0.1831(12) -0.0442(9) 0.099(4) Uani 1 1 d .
H15B H 0.4145 0.1637 -0.0787 0.118 Uiso 1 1 calc R
C16B C 0.3980(5) 0.2828(12) -0.0124(10) 0.103(5) Uani 1 1 d .
H16B H 0.4227 0.3327 -0.0235 0.123 Uiso 1 1 calc R
C17B C 0.3666(5) 0.3106(10) 0.0357(8) 0.094(4) Uani 1 1 d .
H17B H 0.3683 0.3804 0.0565 0.113 Uiso 1 1 calc R
C18B C 0.3328(2) 0.2365(5) 0.0530(4) 0.075(3) Uani 1 1 d .
H18B H 0.3122 0.2554 0.0878 0.089 Uiso 1 1 calc R
C19B C 0.3824(2) -0.0542(5) -0.1029(4) 0.099(4) Uani 1 1 d R
C20B C 0.3620(2) -0.0967(5) -0.1768(4) 0.146(8) Uani 1 1 d R
H20B H 0.3243 -0.0972 -0.2000 0.175 Uiso 1 1 calc R
C21B C 0.3968(2) -0.1381(5) -0.2167(4) 0.240(18) Uani 1 1 d R
H21B H 0.3829 -0.1670 -0.2671 0.288 Uiso 1 1 calc R
C22B C 0.4519(2) -0.1371(5) -0.1826(4) 0.226(14) Uani 1 1 d RU
H22B H 0.4758 -0.1654 -0.2097 0.272 Uiso 1 1 calc R
C23B C 0.4722(2) -0.0947(5) -0.1087(4) 0.209(15) Uani 1 1 d R
H23B H 0.5100 -0.0941 -0.0855 0.251 Uiso 1 1 calc R
P1 P 0.0000 0.5000 0.0000 0.0465(7) Uani 1 2 d S
F11 F 0.0603(2) 0.5082(4) 0.0529(3) 0.0749(16) Uani 1 1 d .
F21 F -0.0174(2) 0.5923(5) 0.0503(4) 0.0796(17) Uani 1 1 d .
F31 F 0.0128(3) 0.5865(5) -0.0558(3) 0.092(2) Uani 1 1 d .
P2 P 0.5445(2) 0.4021(4) -0.0333(3) 0.0642(12) Uani 0.50 1 d P
F12 F 0.5993(5) 0.4556(12) 0.0175(7) 0.090(4) Uani 0.50 1 d P
F22 F 0.5742(6) 0.3561(13) -0.0939(8) 0.103(4) Uani 0.50 1 d P
F32 F 0.5148(6) 0.4452(18) 0.0263(10) 0.131(7) Uani 0.50 1 d P
F42 F 0.5350(6) 0.5046(11) -0.0870(8) 0.111(6) Uani 0.50 1 d P
F52 F 0.4923(6) 0.3489(14) -0.0813(9) 0.117(6) Uani 0.50 1 d P
F62 F 0.5611(7) 0.3023(11) 0.0214(9) 0.111(5) Uani 0.50 1 d P
P3 P 0.25815(12) 0.3510(3) 0.23031(15) 0.0739(8) Uani 1 1 d .
F13 F 0.2579(4) 0.2693(11) 0.1681(8) 0.198(7) Uani 1 1 d .
F23 F 0.2955(4) 0.2913(12) 0.2971(8) 0.201(7) Uani 1 1 d .
F33 F 0.3074(3) 0.4117(8) 0.2154(5) 0.121(3) Uani 1 1 d .
F43 F 0.2071(3) 0.2887(8) 0.2437(4) 0.114(3) Uani 1 1 d .
F53 F 0.2156(4) 0.4154(8) 0.1659(6) 0.150(4) Uani 1 1 d .
F63 F 0.2516(4) 0.4352(11) 0.2897(7) 0.178(6) Uani 1 1 d .
P4 P 0.1650(3) -0.2158(3) 0.29393(18) 0.141(2) Uani 1 1 d .
F14 F 0.1835(5) -0.1091(8) 0.2644(6) 0.144(3) Uani 1 1 d .
F24 F 0.1303(6) -0.3195(8) 0.3205(6) 0.175(5) Uani 1 1 d .
F34 F 0.1745(7) -0.1725(7) 0.3777(5) 0.201(7) Uani 1 1 d .
F44 F 0.1551(5) -0.2620(7) 0.2114(4) 0.141(4) Uani 1 1 d .
F54 F 0.2123(6) -0.2808(14) 0.3195(7) 0.276(11) Uani 1 1 d .
F64 F 0.1063(7) -0.1651(10) 0.2746(10) 0.224(8) Uani 1 1 d .
O1W O 0.4361(12) 0.188(7) -0.248(3) 0.22(4) Uani 0.25 1 d P
O1W' O 0.4889(12) 0.271(2) -0.1909(19) 0.084(9) Uani 0.25 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn -0.5299 2.8052 '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
O2 Mn1 O1 87.4(2) . .
O2 Mn1 N4A 99.7(3) . .
O1 Mn1 N4A 92.3(2) . .
O2 Mn1 N3A 100.1(3) . .
O1 Mn1 N3A 94.5(2) . .
N4A Mn1 N3A 159.2(3) . .
O2 Mn1 N2A 95.0(3) . .
O1 Mn1 N2A 177.2(3) . .
N4A Mn1 N2A 88.7(2) . .
N3A Mn1 N2A 83.7(2) . .
O2 Mn1 N1A 177.2(2) . .
O1 Mn1 N1A 95.2(2) . .
N4A Mn1 N1A 79.0(3) . .
N3A Mn1 N1A 80.9(3) . .
N2A Mn1 N1A 82.5(3) . .
O2 Mn1 Mn2 43.64(16) . .
O1 Mn1 Mn2 43.76(18) . .
N4A Mn1 Mn2 97.81(18) . .
N3A Mn1 Mn2 100.66(18) . .
N2A Mn1 Mn2 138.6(2) . .
N1A Mn1 Mn2 138.90(17) . .
O2 Mn2 O1 84.0(2) . .
O2 Mn2 N2B 179.3(2) . .
O1 Mn2 N2B 96.5(2) . .
O2 Mn2 N1B 94.5(2) . .
O1 Mn2 N1B 178.3(2) . .
N2B Mn2 N1B 84.9(2) . .
O2 Mn2 N4B 96.2(2) . .
O1 Mn2 N4B 103.9(3) . .
N2B Mn2 N4B 83.2(2) . .
N1B Mn2 N4B 77.1(2) . .
O2 Mn2 N3B 96.4(2) . .
O1 Mn2 N3B 104.8(3) . .
N2B Mn2 N3B 83.9(2) . .
N1B Mn2 N3B 74.5(3) . .
N4B Mn2 N3B 149.6(3) . .
O2 Mn2 Mn1 41.68(18) . .
O1 Mn2 Mn1 42.33(16) . .
N2B Mn2 Mn1 138.87(17) . .
N1B Mn2 Mn1 136.18(15) . .
N4B Mn2 Mn1 103.98(18) . .
N3B Mn2 Mn1 103.83(19) . .
Mn1 O1 Mn2 93.9(2) . .
Mn1 O2 Mn2 94.7(2) . .
C7A N1A C13A 111.8(6) . .
C7A N1A C1A 113.0(6) . .
C13A N1A C1A 113.2(6) . .
C7A N1A Mn1 105.8(5) . .
C13A N1A Mn1 102.8(4) . .
C1A N1A Mn1 109.4(5) . .
C2A N2A C6A 121.6(7) . .
C2A N2A Mn1 115.0(5) . .
C6A N2A Mn1 122.7(6) . .
C12A N3A C8A 121.4(7) . .
C12A N3A Mn1 123.8(6) . .
C8A N3A Mn1 114.3(5) . .
C14A N4A C18A 120.5(7) . .
C14A N4A Mn1 114.4(5) . .
C18A N4A Mn1 125.0(6) . .
C19A N5A C23A 117.5(7) . .
C2A C1A N1A 111.8(6) . .
C2A C1A H1AA 109.3 . .
N1A C1A H1AA 109.3 . .
C2A C1A H1AB 109.3 . .
N1A C1A H1AB 109.3 . .
H1AA C1A H1AB 107.9 . .
N2A C2A C3A 120.8(8) . .
N2A C2A C1A 117.2(6) . .
C3A C2A C1A 121.9(7) . .
C2A C3A C4A 117.7(8) . .
C2A C3A H3A 121.1 . .
C4A C3A H3A 121.1 . .
C5A C4A C3A 120.4(8) . .
C5A C4A H4A 119.8 . .
C3A C4A H4A 119.8 . .
C4A C5A C6A 119.4(8) . .
C4A C5A H5A 120.3 . .
C6A C5A H5A 120.3 . .
N2A C6A C5A 120.1(8) . .
N2A C6A H6A 119.9 . .
C5A C6A H6A 119.9 . .
C8A C7A N1A 109.4(6) . .
C8A C7A H7AA 109.8 . .
N1A C7A H7AA 109.8 . .
C8A C7A H7AB 109.8 . .
N1A C7A H7AB 109.8 . .
H7AA C7A H7AB 108.2 . .
N3A C8A C9A 119.9(8) . .
N3A C8A C7A 115.5(7) . .
C9A C8A C7A 124.6(8) . .
C10A C9A C8A 118.8(9) . .
C10A C9A H9A 120.6 . .
C8A C9A H9A 120.6 . .
C11A C10A C9A 119.8(9) . .
C11A C10A H10A 120.1 . .
C9A C10A H10A 120.1 . .
C10A C11A C12A 119.4(9) . .
C10A C11A H11A 120.3 . .
C12A C11A H11A 120.3 . .
N3A C12A C11A 120.7(9) . .
N3A C12A H12A 119.7 . .
C11A C12A H12A 119.7 . .
C19A C13A N1A 118.4(6) . .
C19A C13A C14A 115.9(6) . .
N1A C13A C14A 104.4(6) . .
C19A C13A H13A 105.7 . .
N1A C13A H13A 105.7 . .
C14A C13A H13A 105.7 . .
N4A C14A C15A 121.3(8) . .
N4A C14A C13A 114.6(7) . .
C15A C14A C13A 124.0(7) . .
C14A C15A C16A 118.8(8) . .
C14A C15A H15A 120.6 . .
C16A C15A H15A 120.6 . .
C17A C16A C15A 119.2(8) . .
C17A C16A H16A 120.4 . .
C15A C16A H16A 120.4 . .
C18A C17A C16A 119.9(8) . .
C18A C17A H17A 120.1 . .
C16A C17A H17A 120.1 . .
N4A C18A C17A 120.3(8) . .
N4A C18A H18A 119.9 . .
C17A C18A H18A 119.9 . .
N5A C19A C20A 122.1(8) . .
N5A C19A C13A 118.6(7) . .
C20A C19A C13A 119.2(7) . .
C21A C20A C19A 119.9(8) . .
C21A C20A H20A 120.0 . .
C19A C20A H20A 120.0 . .
C22A C21A C20A 117.9(8) . .
C22A C21A H21A 121.0 . .
C20A C21A H21A 121.0 . .
C21A C22A C23A 118.8(8) . .
C21A C22A H22A 120.6 . .
C23A C22A H22A 120.6 . .
N5A C23A C22A 123.6(8) . .
N5A C23A H23A 118.2 . .
C22A C23A H23A 118.2 . .
C7B N1B C13B 113.3(7) . .
C7B N1B C1B 113.4(6) . .
C13B N1B C1B 109.1(6) . .
C7B N1B Mn2 107.6(5) . .
C13B N1B Mn2 106.3(5) . .
C1B N1B Mn2 106.8(4) . .
C2B N2B C6B 114.4(5) . .
C2B N2B Mn2 109.8(4) . .
C6B N2B Mn2 134.4(4) . .
C8B N3B C12B 119.1(9) . .
C8B N3B Mn2 113.5(7) . .
C12B N3B Mn2 127.4(7) . .
C18B N4B C14B 118.8(7) . .
C18B N4B Mn2 129.5(5) . .
C14B N4B Mn2 111.6(6) . .
C19B N5B C23B 119.2(7) . .
C2B C1B N1B 114.5(3) . .
C2B C1B H1BA 108.6 . .
N1B C1B H1BA 108.6 . .
C2B C1B H1BB 108.6 . .
N1B C1B H1BB 108.6 . .
H1BA C1B H1BB 107.6 . .
N2B C2B C3B 124.1(4) . .
N2B C2B C1B 120.5(4) . .
C3B C2B C1B 115.4 . .
C4B C3B C2B 120.2 . .
C4B C3B H3BA 119.9 . .
C2B C3B H3BA 119.9 . .
C5B C4B C3B 119.8 . .
C5B C4B H4BA 120.1 . .
C3B C4B H4BA 120.1 . .
C4B C5B C6B 119.9 . .
C4B C5B H5BA 120.0 . .
C6B C5B H5BA 120.0 . .
C5B C6B N2B 121.0(3) . .
C5B C6B H6BA 119.5 . .
N2B C6B H6BA 119.5 . .
N1B C7B C8B 109.5(8) . .
N1B C7B H7BA 109.8 . .
C8B C7B H7BA 109.8 . .
N1B C7B H7BB 109.8 . .
C8B C7B H7BB 109.8 . .
H7BA C7B H7BB 108.2 . .
N3B C8B C9B 121.1(11) . .
N3B C8B C7B 115.1(9) . .
C9B C8B C7B 123.8(10) . .
C10B C9B C8B 118.0(12) . .
C10B C9B H9B 121.0 . .
C8B C9B H9B 121.0 . .
C9B C10B C11B 120.5(12) . .
C9B C10B H10B 119.8 . .
C11B C10B H10B 119.8 . .
C12B C11B C10B 119.2(12) . .
C12B C11B H11B 120.4 . .
C10B C11B H11B 120.4 . .
N3B C12B C11B 122.1(11) . .
N3B C12B H12B 118.9 . .
C11B C12B H12B 118.9 . .
N1B C13B C14B 110.0(7) . .
N1B C13B C19B 110.2(7) . .
C14B C13B C19B 124.8(8) . .
N1B C13B H13B 103.0 . .
C14B C13B H13B 103.0 . .
C19B C13B H13B 103.0 . .
N4B C14B C15B 120.6(11) . .
N4B C14B C13B 115.2(8) . .
C15B C14B C13B 124.0(11) . .
C16B C15B C14B 118.7(13) . .
C16B C15B H15B 120.7 . .
C14B C15B H15B 120.7 . .
C15B C16B C17B 119.9(12) . .
C15B C16B H16B 120.1 . .
C17B C16B H16B 120.1 . .
C18B C17B C16B 119.0(12) . .
C18B C17B H17B 120.5 . .
C16B C17B H17B 120.5 . .
N4B C18B C17B 122.9(9) . .
N4B C18B H18B 118.5 . .
C17B C18B H18B 118.5 . .
N5B C19B C20B 120.9(4) . .
N5B C19B C13B 114.7(7) . .
C20B C19B C13B 124.2(4) . .
C21B C20B C19B 120.1 . .
C21B C20B H20B 119.9 . .
C19B C20B H20B 119.9 . .
C20B C21B C22B 119.6 . .
C20B C21B H21B 120.2 . .
C22B C21B H21B 120.2 . .
C21B C22B C23B 120.2 . .
C21B C22B H22B 119.9 . .
C23B C22B H22B 119.9 . .
C22B C23B N5B 119.9(4) . .
C22B C23B H23B 120.0 . .
N5B C23B H23B 120.0 . .
F31 P1 F31 180.0(4) 3_565 .
F31 P1 F11 90.1(3) 3_565 .
F31 P1 F11 89.9(3) . .
F31 P1 F11 89.9(3) 3_565 3_565
F31 P1 F11 90.1(3) . 3_565
F11 P1 F11 180.0(2) . 3_565
F31 P1 F21 90.4(4) 3_565 .
F31 P1 F21 89.6(4) . .
F11 P1 F21 89.6(3) . .
F11 P1 F21 90.4(3) 3_565 .
F31 P1 F21 89.6(4) 3_565 3_565
F31 P1 F21 90.4(4) . 3_565
F11 P1 F21 90.4(3) . 3_565
F11 P1 F21 89.6(3) 3_565 3_565
F21 P1 F21 180.0(4) . 3_565
F52 P2 F32 91.1(10) . .
F52 P2 F62 93.1(9) . .
F32 P2 F62 87.4(10) . .
F52 P2 F42 92.4(8) . .
F32 P2 F42 96.1(11) . .
F62 P2 F42 173.4(9) . .
F52 P2 F22 88.1(9) . .
F32 P2 F22 179.0(11) . .
F62 P2 F22 92.0(9) . .
F42 P2 F22 84.6(10) . .
F52 P2 F12 179.1(10) . .
F32 P2 F12 89.0(8) . .
F62 P2 F12 86.0(8) . .
F42 P2 F12 88.5(7) . .
F22 P2 F12 91.7(8) . .
P2 F32 F32 97.5(15) . 3_665
F13 P3 F23 97.0(10) . .
F13 P3 F63 173.6(6) . .
F23 P3 F63 87.6(8) . .
F13 P3 F33 92.9(6) . .
F23 P3 F33 90.3(5) . .
F63 P3 F33 91.4(6) . .
F13 P3 F53 86.8(8) . .
F23 P3 F53 174.5(7) . .
F63 P3 F53 88.3(7) . .
F33 P3 F53 93.4(5) . .
F13 P3 F43 86.3(6) . .
F23 P3 F43 90.7(5) . .
F63 P3 F43 89.3(5) . .
F33 P3 F43 178.8(4) . .
F53 P3 F43 85.6(5) . .
F54 P4 F44 90.0(6) . .
F54 P4 F34 89.4(8) . .
F44 P4 F34 178.3(6) . .
F54 P4 F14 106.7(11) . .
F44 P4 F14 89.2(6) . .
F34 P4 F14 92.5(6) . .
F54 P4 F64 166.7(11) . .
F44 P4 F64 92.2(8) . .
F34 P4 F64 88.1(9) . .
F14 P4 F64 86.5(6) . .
F54 P4 F24 86.4(10) . .
F44 P4 F24 90.8(6) . .
F34 P4 F24 87.6(6) . .
F14 P4 F24 166.9(7) . .
F64 P4 F24 80.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2 1.767(6) .
Mn1 O1 1.787(5) .
Mn1 N4A 2.014(6) .
Mn1 N3A 2.045(7) .
Mn1 N2A 2.055(6) .
Mn1 N1A 2.095(7) .
Mn1 Mn2 2.6478(17) .
Mn2 O2 1.833(5) .
Mn2 O1 1.835(6) .
Mn2 N2B 2.091(5) .
Mn2 N1B 2.129(6) .
Mn2 N4B 2.236(7) .
Mn2 N3B 2.275(8) .
N1A C7A 1.499(10) .
N1A C13A 1.507(9) .
N1A C1A 1.511(9) .
N2A C2A 1.327(10) .
N2A C6A 1.348(10) .
N3A C12A 1.327(10) .
N3A C8A 1.349(10) .
N4A C14A 1.335(10) .
N4A C18A 1.356(10) .
N5A C19A 1.321(10) .
N5A C23A 1.333(11) .
C1A C2A 1.509(11) .
C1A H1AA 0.9900 .
C1A H1AB 0.9900 .
C2A C3A 1.396(11) .
C3A C4A 1.399(13) .
C3A H3A 0.9500 .
C4A C5A 1.361(13) .
C4A H4A 0.9500 .
C5A C6A 1.384(11) .
C5A H5A 0.9500 .
C6A H6A 0.9500 .
C7A C8A 1.489(11) .
C7A H7AA 0.9900 .
C7A H7AB 0.9900 .
C8A C9A 1.388(12) .
C9A C10A 1.382(13) .
C9A H9A 0.9500 .
C10A C11A 1.368(14) .
C10A H10A 0.9500 .
C11A C12A 1.377(12) .
C11A H11A 0.9500 .
C12A H12A 0.9500 .
C13A C19A 1.491(11) .
C13A C14A 1.518(11) .
C13A H13A 1.0000 .
C14A C15A 1.384(11) .
C15A C16A 1.387(12) .
C15A H15A 0.9500 .
C16A C17A 1.381(13) .
C16A H16A 0.9500 .
C17A C18A 1.376(12) .
C17A H17A 0.9500 .
C18A H18A 0.9500 .
C19A C20A 1.384(11) .
C20A C21A 1.380(13) .
C20A H20A 0.9500 .
C21A C22A 1.363(12) .
C21A H21A 0.9500 .
C22A C23A 1.379(12) .
C22A H22A 0.9500 .
C23A H23A 0.9500 .
N1B C7B 1.479(11) .
N1B C13B 1.491(11) .
N1B C1B 1.517(8) .
N2B C2B 1.360(8) .
N2B C6B 1.500(9) .
N3B C8B 1.298(13) .
N3B C12B 1.342(12) .
N4B C18B 1.328(10) .
N4B C14B 1.365(12) .
N5B C19B 1.371(9) .
N5B C23B 1.408(10) .
C1B C2B 1.4791 .
C1B H1BA 0.9900 .
C1B H1BB 0.9900 .
C2B C3B 1.3928 .
C3B C4B 1.3915 .
C3B H3BA 0.9500 .
C4B C5B 1.3870 .
C4B H4BA 0.9500 .
C5B C6B 1.3928 .
C5B H5BA 0.9500 .
C6B H6BA 0.9500 .
C7B C8B 1.499(15) .
C7B H7BA 0.9900 .
C7B H7BB 0.9900 .
C8B C9B 1.437(15) .
C9B C10B 1.332(18) .
C9B H9B 0.9500 .
C10B C11B 1.357(18) .
C10B H10B 0.9500 .
C11B C12B 1.356(15) .
C11B H11B 0.9500 .
C12B H12B 0.9500 .
C13B C14B 1.495(15) .
C13B C19B 1.508(11) .
C13B H13B 1.0000 .
C14B C15B 1.401(15) .
C15B C16B 1.37(2) .
C15B H15B 0.9500 .
C16B C17B 1.374(19) .
C16B H16B 0.9500 .
C17B C18B 1.365(14) .
C17B H17B 0.9500 .
C18B H18B 0.9500 .
C19B C20B 1.3941 .
C20B C21B 1.3859 .
C20B H20B 0.9500 .
C21B C22B 1.3867 .
C21B H21B 0.9500 .
C22B C23B 1.3940 .
C22B H22B 0.9500 .
C23B H23B 0.9500 .
P1 F31 1.570(5) 3_565
P1 F31 1.570(5) .
P1 F11 1.591(5) .
P1 F11 1.591(5) 3_565
P1 F21 1.604(6) .
P1 F21 1.604(6) 3_565
P2 F52 1.541(13) .
P2 F32 1.566(17) .
P2 F62 1.579(14) .
P2 F42 1.588(13) .
P2 F22 1.594(15) .
P2 F12 1.608(13) .
F32 F32 1.73(4) 3_665
P3 F13 1.513(10) .
P3 F23 1.519(9) .
P3 F63 1.543(9) .
P3 F33 1.562(8) .
P3 F53 1.586(9) .
P3 F43 1.601(8) .
P4 F54 1.438(11) .
P4 F44 1.546(8) .
P4 F34 1.553(9) .
P4 F14 1.563(10) .
P4 F64 1.589(17) .
P4 F24 1.718(13) .
O1W O1W' 1.81(7) .
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_4
O1 Mn1 Mn2 O2 -179.0(3) .
N4A Mn1 Mn2 O2 95.9(3) .
N3A Mn1 Mn2 O2 -93.6(3) .
N2A Mn1 Mn2 O2 -1.0(4) .
N1A Mn1 Mn2 O2 178.1(4) .
O2 Mn1 Mn2 O1 179.0(3) .
N4A Mn1 Mn2 O1 -85.1(3) .
N3A Mn1 Mn2 O1 85.4(3) .
N2A Mn1 Mn2 O1 178.0(4) .
N1A Mn1 Mn2 O1 -2.9(4) .
O2 Mn1 Mn2 N2B 179.4(4) .
O1 Mn1 Mn2 N2B 0.4(4) .
N4A Mn1 Mn2 N2B -84.7(3) .
N3A Mn1 Mn2 N2B 85.8(3) .
N2A Mn1 Mn2 N2B 178.4(4) .
N1A Mn1 Mn2 N2B -2.5(4) .
O2 Mn1 Mn2 N1B -2.2(3) .
O1 Mn1 Mn2 N1B 178.8(3) .
N4A Mn1 Mn2 N1B 93.7(3) .
N3A Mn1 Mn2 N1B -95.8(3) .
N2A Mn1 Mn2 N1B -3.2(4) .
N1A Mn1 Mn2 N1B 175.9(3) .
O2 Mn1 Mn2 N4B 83.6(3) .
O1 Mn1 Mn2 N4B -95.4(3) .
N4A Mn1 Mn2 N4B 179.6(3) .
N3A Mn1 Mn2 N4B -10.0(3) .
N2A Mn1 Mn2 N4B 82.6(3) .
N1A Mn1 Mn2 N4B -98.3(3) .
O2 Mn1 Mn2 N3B -84.0(3) .
O1 Mn1 Mn2 N3B 97.0(3) .
N4A Mn1 Mn2 N3B 11.9(3) .
N3A Mn1 Mn2 N3B -177.6(3) .
N2A Mn1 Mn2 N3B -85.1(3) .
N1A Mn1 Mn2 N3B 94.1(4) .
O2 Mn1 O1 Mn2 -0.7(2) .
N4A Mn1 O1 Mn2 98.9(3) .
N3A Mn1 O1 Mn2 -100.7(3) .
N2A Mn1 O1 Mn2 -151(5) .
N1A Mn1 O1 Mn2 178.1(2) .
O2 Mn2 O1 Mn1 0.7(2) .
N2B Mn2 O1 Mn1 -179.7(2) .
N1B Mn2 O1 Mn1 -29(8) .
N4B Mn2 O1 Mn1 95.7(2) .
N3B Mn2 O1 Mn1 -94.4(3) .
O1 Mn1 O2 Mn2 0.7(2) .
N4A Mn1 O2 Mn2 -91.1(2) .
N3A Mn1 O2 Mn2 94.9(2) .
N2A Mn1 O2 Mn2 179.3(2) .
N1A Mn1 O2 Mn2 -154(5) .
O1 Mn2 O2 Mn1 -0.7(2) .
N2B Mn2 O2 Mn1 -144(21) .
N1B Mn2 O2 Mn1 178.5(2) .
N4B Mn2 O2 Mn1 -104.0(3) .
N3B Mn2 O2 Mn1 103.6(3) .
O2 Mn1 N1A C7A -140(5) .
O1 Mn1 N1A C7A 65.9(5) .
N4A Mn1 N1A C7A 157.2(5) .
N3A Mn1 N1A C7A -27.9(4) .
N2A Mn1 N1A C7A -112.7(5) .
Mn2 Mn1 N1A C7A 67.9(5) .
O2 Mn1 N1A C13A 103(5) .
O1 Mn1 N1A C13A -51.6(4) .
N4A Mn1 N1A C13A 39.7(4) .
N3A Mn1 N1A C13A -145.4(4) .
N2A Mn1 N1A C13A 129.8(4) .
Mn2 Mn1 N1A C13A -49.6(5) .
O2 Mn1 N1A C1A -18(5) .
O1 Mn1 N1A C1A -172.1(5) .
N4A Mn1 N1A C1A -80.8(5) .
N3A Mn1 N1A C1A 94.1(5) .
N2A Mn1 N1A C1A 9.3(5) .
Mn2 Mn1 N1A C1A -170.1(4) .
O2 Mn1 N2A C2A -178.2(5) .
O1 Mn1 N2A C2A -28(6) .
N4A Mn1 N2A C2A 82.1(6) .
N3A Mn1 N2A C2A -78.5(6) .
N1A Mn1 N2A C2A 3.1(5) .
Mn2 Mn1 N2A C2A -177.5(4) .
O2 Mn1 N2A C6A -7.8(6) .
O1 Mn1 N2A C6A 142(5) .
N4A Mn1 N2A C6A -107.5(6) .
N3A Mn1 N2A C6A 91.9(6) .
N1A Mn1 N2A C6A 173.5(6) .
Mn2 Mn1 N2A C6A -7.1(7) .
O2 Mn1 N3A C12A 16.8(6) .
O1 Mn1 N3A C12A 105.0(6) .
N4A Mn1 N3A C12A -146.3(7) .
N2A Mn1 N3A C12A -77.1(6) .
N1A Mn1 N3A C12A -160.5(6) .
Mn2 Mn1 N3A C12A 61.2(6) .
O2 Mn1 N3A C8A -171.3(5) .
O1 Mn1 N3A C8A -83.1(5) .
N4A Mn1 N3A C8A 25.6(10) .
N2A Mn1 N3A C8A 94.7(5) .
N1A Mn1 N3A C8A 11.4(5) .
Mn2 Mn1 N3A C8A -126.9(5) .
O2 Mn1 N4A C14A 161.9(5) .
O1 Mn1 N4A C14A 74.2(5) .
N3A Mn1 N4A C14A -35.0(10) .
N2A Mn1 N4A C14A -103.2(5) .
N1A Mn1 N4A C14A -20.7(5) .
Mn2 Mn1 N4A C14A 117.8(5) .
O2 Mn1 N4A C18A -21.0(6) .
O1 Mn1 N4A C18A -108.7(6) .
N3A Mn1 N4A C18A 142.2(7) .
N2A Mn1 N4A C18A 73.9(6) .
N1A Mn1 N4A C18A 156.5(6) .
Mn2 Mn1 N4A C18A -65.1(6) .
C7A N1A C1A C2A 98.5(8) .
C13A N1A C1A C2A -133.1(7) .
Mn1 N1A C1A C2A -19.1(7) .
C6A N2A C2A C3A -1.5(11) .
Mn1 N2A C2A C3A 168.9(6) .
C6A N2A C2A C1A 174.0(7) .
Mn1 N2A C2A C1A -15.6(9) .
N1A C1A C2A N2A 23.5(10) .
N1A C1A C2A C3A -161.1(7) .
N2A C2A C3A C4A 2.6(12) .
C1A C2A C3A C4A -172.6(7) .
C2A C3A C4A C5A -1.9(13) .
C3A C4A C5A C6A 0.2(13) .
C2A N2A C6A C5A -0.3(12) .
Mn1 N2A C6A C5A -170.1(6) .
C4A C5A C6A N2A 1.0(13) .
C13A N1A C7A C8A 151.0(6) .
C1A N1A C7A C8A -79.9(8) .
Mn1 N1A C7A C8A 39.8(7) .
C12A N3A C8A C9A -0.4(11) .
Mn1 N3A C8A C9A -172.5(6) .
C12A N3A C8A C7A -178.8(7) .
Mn1 N3A C8A C7A 9.1(8) .
N1A C7A C8A N3A -33.7(9) .
N1A C7A C8A C9A 148.1(8) .
N3A C8A C9A C10A -0.8(12) .
C7A C8A C9A C10A 177.4(7) .
C8A C9A C10A C11A 1.7(13) .
C9A C10A C11A C12A -1.3(13) .
C8A N3A C12A C11A 0.8(11) .
Mn1 N3A C12A C11A 172.1(6) .
C10A C11A C12A N3A 0.0(12) .
C7A N1A C13A C19A 65.3(8) .
C1A N1A C13A C19A -63.6(8) .
Mn1 N1A C13A C19A 178.5(5) .
C7A N1A C13A C14A -163.9(6) .
C1A N1A C13A C14A 67.1(8) .
Mn1 N1A C13A C14A -50.8(6) .
C18A N4A C14A C15A 1.9(11) .
Mn1 N4A C14A C15A 179.2(6) .
C18A N4A C14A C13A 178.1(6) .
Mn1 N4A C14A C13A -4.7(8) .
C19A C13A C14A N4A 170.7(6) .
N1A C13A C14A N4A 38.5(8) .
C19A C13A C14A C15A -13.3(11) .
N1A C13A C14A C15A -145.5(7) .
N4A C14A C15A C16A -1.7(12) .
C13A C14A C15A C16A -177.5(7) .
C14A C15A C16A C17A 0.4(12) .
C15A C16A C17A C18A 0.7(13) .
C14A N4A C18A C17A -0.8(11) .
Mn1 N4A C18A C17A -177.7(5) .
C16A C17A C18A N4A -0.6(12) .
C23A N5A C19A C20A 2.1(13) .
C23A N5A C19A C13A 177.5(7) .
N1A C13A C19A N5A 48.9(10) .
C14A C13A C19A N5A -76.5(9) .
N1A C13A C19A C20A -135.6(8) .
C14A C13A C19A C20A 99.1(9) .
N5A C19A C20A C21A 1.7(14) .
C13A C19A C20A C21A -173.7(8) .
C19A C20A C21A C22A -3.6(14) .
C20A C21A C22A C23A 1.7(14) .
C19A N5A C23A C22A -4.1(13) .
C21A C22A C23A N5A 2.2(14) .
O2 Mn2 N1B C7B -60.5(6) .
O1 Mn2 N1B C7B -31(8) .
N2B Mn2 N1B C7B 119.9(5) .
N4B Mn2 N1B C7B -155.9(6) .
N3B Mn2 N1B C7B 34.9(6) .
Mn1 Mn2 N1B C7B -59.0(6) .
O2 Mn2 N1B C13B 61.1(5) .
O1 Mn2 N1B C13B 91(8) .
N2B Mn2 N1B C13B -118.5(5) .
N4B Mn2 N1B C13B -34.2(5) .
N3B Mn2 N1B C13B 156.5(5) .
Mn1 Mn2 N1B C13B 62.6(6) .
O2 Mn2 N1B C1B 177.5(4) .
O1 Mn2 N1B C1B -153(8) .
N2B Mn2 N1B C1B -2.0(5) .
N4B Mn2 N1B C1B 82.2(4) .
N3B Mn2 N1B C1B -87.1(4) .
Mn1 Mn2 N1B C1B 179.0(3) .
O2 Mn2 N2B C2B -46(21) .
O1 Mn2 N2B C2B 170.3(5) .
N1B Mn2 N2B C2B -8.8(6) .
N4B Mn2 N2B C2B -86.4(5) .
N3B Mn2 N2B C2B 66.0(5) .
Mn1 Mn2 N2B C2B 170.0(4) .
O2 Mn2 N2B C6B 149(21) .
O1 Mn2 N2B C6B 5.7(6) .
N1B Mn2 N2B C6B -173.5(5) .
N4B Mn2 N2B C6B 108.9(6) .
N3B Mn2 N2B C6B -98.6(7) .
Mn1 Mn2 N2B C6B 5.4(8) .
O2 Mn2 N3B C8B 74.8(6) .
O1 Mn2 N3B C8B 160.3(6) .
N2B Mn2 N3B C8B -104.5(6) .
N1B Mn2 N3B C8B -18.1(6) .
N4B Mn2 N3B C8B -39.2(9) .
Mn1 Mn2 N3B C8B 116.6(6) .
O2 Mn2 N3B C12B -108.3(7) .
O1 Mn2 N3B C12B -22.8(8) .
N2B Mn2 N3B C12B 72.4(7) .
N1B Mn2 N3B C12B 158.8(7) .
N4B Mn2 N3B C12B 137.7(7) .
Mn1 Mn2 N3B C12B -66.5(7) .
O2 Mn2 N4B C18B 108.0(6) .
O1 Mn2 N4B C18B 22.6(7) .
N2B Mn2 N4B C18B -72.5(6) .
N1B Mn2 N4B C18B -158.8(6) .
N3B Mn2 N4B C18B -137.9(6) .
Mn1 Mn2 N4B C18B 66.3(6) .
O2 Mn2 N4B C14B -76.9(6) .
O1 Mn2 N4B C14B -162.2(5) .
N2B Mn2 N4B C14B 102.7(5) .
N1B Mn2 N4B C14B 16.3(5) .
N3B Mn2 N4B C14B 37.2(8) .
Mn1 Mn2 N4B C14B -118.6(5) .
C7B N1B C1B C2B -106.1(6) .
C13B N1B C1B C2B 126.7(5) .
Mn2 N1B C1B C2B 12.2(4) .
C6B N2B C2B C3B 8.5(8) .
Mn2 N2B C2B C3B -159.49(16) .
C6B N2B C2B C1B -172.5(3) .
Mn2 N2B C2B C1B 19.5(5) .
N1B C1B C2B N2B -22.37(15) .
N1B C1B C2B C3B 156.7(4) .
N2B C2B C3B C4B -4.8(5) .
C1B C2B C3B C4B 176.2 .
C2B C3B C4B C5B 0.0 .
C3B C4B C5B C6B 0.0 .
C4B C5B C6B N2B 4.2(4) .
C2B N2B C6B C5B -8.2(8) .
Mn2 N2B C6B C5B 155.9(4) .
C13B N1B C7B C8B -165.9(7) .
C1B N1B C7B C8B 69.0(9) .
Mn2 N1B C7B C8B -48.8(8) .
C12B N3B C8B C9B -0.3(13) .
Mn2 N3B C8B C9B 176.9(8) .
C12B N3B C8B C7B 178.9(8) .
Mn2 N3B C8B C7B -3.9(10) .
N1B C7B C8B N3B 34.8(11) .
N1B C7B C8B C9B -146.1(9) .
N3B C8B C9B C10B 1.7(16) .
C7B C8B C9B C10B -177.4(10) .
C8B C9B C10B C11B -2.5(18) .
C9B C10B C11B C12B 2.0(17) .
C8B N3B C12B C11B -0.3(14) .
Mn2 N3B C12B C11B -177.1(7) .
C10B C11B C12B N3B -0.5(16) .
C7B N1B C13B C14B 166.5(7) .
C1B N1B C13B C14B -66.2(8) .
Mn2 N1B C13B C14B 48.6(7) .
C7B N1B C13B C19B -52.2(9) .
C1B N1B C13B C19B 75.1(8) .
Mn2 N1B C13B C19B -170.1(5) .
C18B N4B C14B C15B -1.6(12) .
Mn2 N4B C14B C15B -177.3(8) .
C18B N4B C14B C13B -178.0(7) .
Mn2 N4B C14B C13B 6.3(9) .
N1B C13B C14B N4B -36.8(10) .
C19B C13B C14B N4B -171.3(7) .
N1B C13B C14B C15B 146.9(9) .
C19B C13B C14B C15B 12.5(14) .
N4B C14B C15B C16B 1.6(17) .
C13B C14B C15B C16B 177.7(11) .
C14B C15B C16B C17B -2(2) .
C15B C16B C17B C18B 2(2) .
C14B N4B C18B C17B 2.0(12) .
Mn2 N4B C18B C17B 176.8(7) .
C16B C17B C18B N4B -2.3(16) .
C23B N5B C19B C20B 0.1(9) .
C23B N5B C19B C13B -175.3(6) .
N1B C13B C19B N5B -83.9(9) .
C14B C13B C19B N5B 50.5(11) .
N1B C13B C19B C20B 100.9(6) .
C14B C13B C19B C20B -124.8(7) .
N5B C19B C20B C21B 0.0(5) .
C13B C19B C20B C21B 174.9(6) .
C19B C20B C21B C22B 0.0 .
C20B C21B C22B C23B 0.0 .
C21B C22B C23B N5B 0.0(4) .
C19B N5B C23B C22B -0.1(9) .
F52 P2 F32 F32 -81.1(15) 3_665
F62 P2 F32 F32 -174.1(15) 3_665
F42 P2 F32 F32 11.5(14) 3_665
F22 P2 F32 F32 -123(53) 3_665
F12 P2 F32 F32 99.8(14) 3_665
