#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:23:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180010 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/04/7030422.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_7030422
loop_
_publ_author_name
'Guillo, Pascal'
'Hamelin, Olivier'
'Loiseau, Frédérique'
'Pécaut, Jacques'
'Ménage, Stéphane'
_publ_section_title
;
 Synthesis, electrochemical and photophysical properties of
 heterodinuclear Ru-Mn and Ru-Zn complexes bearing ambident Schiff base
 ligand.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5650
_journal_page_last               5657
_journal_paper_doi               10.1039/c003276j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C64 H85 F12 Mn N8 O10 P2 Ru'
_chemical_formula_weight         1572.35
_chemical_name_systematic
;
?
;
_space_group_IT_number           167
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   33.491(4)
_cell_length_b                   33.491(4)
_cell_length_c                   44.286(11)
_cell_measurement_reflns_used    1013
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      21.94
_cell_measurement_theta_min      2.43
_cell_volume                     43018(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      223(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0685
_diffrn_reflns_av_sigmaI/netI    0.0586
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            26086
_diffrn_reflns_theta_full        21.98
_diffrn_reflns_theta_max         21.98
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.392
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.910
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             14616
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.916
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         5782
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.1307
_refine_ls_R_factor_gt           0.0808
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1548P)²+294.9803P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2349
_refine_ls_wR_factor_ref         0.2798
_reflns_number_gt                3780
_reflns_number_total             5782
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c003276j.txt
_cod_data_source_block           struc
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        43017(13)
_cod_original_sg_symbol_H-M      R-3c
_cod_database_code               7030422
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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
Ru Ru 0.6667 0.90475(3) 0.0833 0.0464(4) Uani 1 2 d S
Mn Mn 0.6667 0.70956(6) 0.0833 0.0459(6) Uani 1 2 d S
O1 O 0.60603(19) 0.6777(2) 0.06994(13) 0.0503(16) Uani 1 1 d .
O2 O 0.6560(2) 0.6475(3) 0.10661(15) 0.070(2) Uani 1 1 d .
N1 N 0.6997(3) 0.9637(3) 0.10857(17) 0.053(2) Uani 1 1 d .
N2 N 0.6251(3) 0.8859(3) 0.12169(16) 0.0462(19) Uani 1 1 d .
N11 N 0.7040(2) 0.8794(2) 0.10707(16) 0.0456(18) Uani 1 1 d .
N12 N 0.6463(2) 0.7368(2) 0.11894(16) 0.0425(18) Uani 1 1 d .
C1 C 0.7369(4) 1.0033(4) 0.0998(3) 0.075(3) Uani 1 1 d .
H1 H 0.7476 1.0059 0.0799 0.090 Uiso 1 1 calc R
C2 C 0.7596(4) 1.0399(4) 0.1190(3) 0.094(4) Uani 1 1 d .
H2 H 0.7855 1.0671 0.1122 0.112 Uiso 1 1 calc R
C3 C 0.7446(5) 1.0371(4) 0.1483(3) 0.099(4) Uani 1 1 d .
H3 H 0.7604 1.0618 0.1618 0.118 Uiso 1 1 calc R
C4 C 0.7052(4) 0.9965(4) 0.1572(2) 0.083(4) Uani 1 1 d .
H4 H 0.6934 0.9939 0.1768 0.100 Uiso 1 1 calc R
C5 C 0.6836(3) 0.9603(3) 0.1371(2) 0.058(3) Uani 1 1 d .
C6 C 0.6426(3) 0.9169(3) 0.1445(2) 0.050(2) Uani 1 1 d .
C7 C 0.6213(4) 0.9066(4) 0.1728(2) 0.061(3) Uani 1 1 d .
H7 H 0.6334 0.9284 0.1885 0.073 Uiso 1 1 calc R
C8 C 0.5825(4) 0.8645(4) 0.1775(2) 0.060(3) Uani 1 1 d .
H8 H 0.5684 0.8568 0.1966 0.072 Uiso 1 1 calc R
C9 C 0.5646(4) 0.8340(4) 0.1542(2) 0.060(3) Uani 1 1 d .
H9 H 0.5376 0.8054 0.1569 0.072 Uiso 1 1 calc R
C10 C 0.5867(3) 0.8457(3) 0.1268(2) 0.049(2) Uani 1 1 d .
H10 H 0.5741 0.8244 0.1109 0.059 Uiso 1 1 calc R
C11 C 0.7497(3) 0.9059(4) 0.1138(2) 0.061(3) Uani 1 1 d .
H11 H 0.7650 0.9370 0.1079 0.074 Uiso 1 1 calc R
C12 C 0.7743(3) 0.8897(4) 0.1284(2) 0.064(3) Uani 1 1 d .
H12 H 0.8060 0.9092 0.1320 0.077 Uiso 1 1 calc R
C13 C 0.7526(3) 0.8447(4) 0.1378(2) 0.058(3) Uani 1 1 d .
H13 H 0.7691 0.8332 0.1483 0.070 Uiso 1 1 calc R
C14 C 0.7054(3) 0.8157(3) 0.13181(19) 0.046(2) Uani 1 1 d .
C15 C 0.6838(3) 0.8359(3) 0.11675(18) 0.041(2) Uani 1 1 d .
H15 H 0.6520 0.8173 0.1130 0.050 Uiso 1 1 calc R
C16 C 0.6793(3) 0.7669(3) 0.1419(2) 0.049(2) Uani 1 1 d .
H16A H 0.7010 0.7562 0.1463 0.058 Uiso 1 1 calc R
H16B H 0.6626 0.7650 0.1605 0.058 Uiso 1 1 calc R
C17 C 0.6052(3) 0.7301(3) 0.1213(2) 0.047(2) Uani 1 1 d .
H17 H 0.6000 0.7448 0.1377 0.057 Uiso 1 1 calc R
C18 C 0.5657(3) 0.7030(3) 0.10215(19) 0.043(2) Uani 1 1 d .
C19 C 0.5259(3) 0.7041(3) 0.1094(2) 0.055(3) Uani 1 1 d .
H19 H 0.5267 0.7236 0.1249 0.066 Uiso 1 1 calc R
C20 C 0.4852(3) 0.6769(4) 0.0941(2) 0.060(3) Uani 1 1 d .
C21 C 0.4859(3) 0.6468(3) 0.0729(2) 0.062(3) Uani 1 1 d .
H21 H 0.4580 0.6269 0.0631 0.074 Uiso 1 1 calc R
C22 C 0.5248(3) 0.6437(3) 0.0649(2) 0.059(3) Uani 1 1 d .
C23 C 0.5672(3) 0.6753(3) 0.0787(2) 0.049(2) Uani 1 1 d .
C24 C 0.4411(3) 0.6777(4) 0.1021(3) 0.083(4) Uani 1 1 d .
C25 C 0.4530(5) 0.7274(6) 0.1071(7) 0.235(14) Uani 1 1 d .
H25A H 0.4294 0.7279 0.1196 0.353 Uiso 1 1 calc R
H25B H 0.4545 0.7417 0.0878 0.353 Uiso 1 1 calc R
H25C H 0.4825 0.7442 0.1172 0.353 Uiso 1 1 calc R
C26 C 0.4239(7) 0.6543(9) 0.1315(5) 0.223(13) Uani 1 1 d .
H26A H 0.3991 0.6589 0.1384 0.335 Uiso 1 1 calc R
H26B H 0.4488 0.6671 0.1461 0.335 Uiso 1 1 calc R
H26C H 0.4127 0.6216 0.1291 0.335 Uiso 1 1 calc R
C27 C 0.4059(6) 0.6562(9) 0.0787(5) 0.221(13) Uani 1 1 d .
H27A H 0.3923 0.6230 0.0796 0.332 Uiso 1 1 calc R
H27B H 0.4200 0.6672 0.0590 0.332 Uiso 1 1 calc R
H27C H 0.3822 0.6643 0.0818 0.332 Uiso 1 1 calc R
C28 C 0.5222(3) 0.6065(3) 0.0430(3) 0.069(3) Uani 1 1 d .
C29 C 0.5503(4) 0.6279(4) 0.0139(3) 0.092(4) Uani 1 1 d .
H29A H 0.5828 0.6456 0.0188 0.138 Uiso 1 1 calc R
H29B H 0.5406 0.6480 0.0047 0.138 Uiso 1 1 calc R
H29C H 0.5450 0.6035 -0.0002 0.138 Uiso 1 1 calc R
C30 C 0.4717(4) 0.5742(4) 0.0320(3) 0.097(4) Uani 1 1 d .
H30A H 0.4702 0.5489 0.0204 0.146 Uiso 1 1 calc R
H30B H 0.4620 0.5916 0.0194 0.146 Uiso 1 1 calc R
H30C H 0.4513 0.5620 0.0493 0.146 Uiso 1 1 calc R
C31 C 0.5395(4) 0.5776(4) 0.0587(3) 0.091(4) Uani 1 1 d .
H31A H 0.5719 0.5969 0.0637 0.137 Uiso 1 1 calc R
H31B H 0.5356 0.5529 0.0454 0.137 Uiso 1 1 calc R
H31C H 0.5220 0.5646 0.0771 0.137 Uiso 1 1 calc R
C41 C 0.6667 0.6340(4) 0.0833 0.062(4) Uani 1 2 d S
C42 C 0.6667 0.5883(6) 0.0833 0.146(9) Uani 1 2 d S
H42A H 0.6779 0.5843 0.0640 0.218 Uiso 0.50 1 calc PR
H42B H 0.6355 0.5630 0.0866 0.218 Uiso 0.50 1 calc PR
H42C H 0.6865 0.5885 0.0994 0.218 Uiso 0.50 1 calc PR
P P 0.83917(11) 1.07557(13) 0.04277(7) 0.0885(11) Uani 1 1 d .
F1 F 0.8437(2) 1.1150(2) 0.01981(16) 0.108(3) Uani 1 1 d .
F2 F 0.7864(2) 1.0448(2) 0.03330(14) 0.097(2) Uani 1 1 d .
F3 F 0.8530(3) 1.0537(3) 0.01592(15) 0.128(3) Uani 1 1 d .
F4 F 0.8334(2) 1.0368(3) 0.06535(16) 0.111(3) Uani 1 1 d .
F5 F 0.8919(2) 1.1071(3) 0.05190(16) 0.135(3) Uani 1 1 d .
F6 F 0.8247(3) 1.0985(3) 0.06889(17) 0.122(3) Uani 1 1 d .
O51 O 0.477(3) 0.415(4) 0.1142(7) 0.70(10) Uani 0.50 1 d P
O52 O 0.4009(10) 0.3567(10) 0.1104(5) 0.164(10) Uani 0.50 1 d P
O53 O 0.535(3) 0.480(3) 0.116(2) 0.20(3) Uiso 0.25 1 d P
O54 O 0.5672(7) 0.5091(6) 0.1351(4) 0.111(6) Uani 0.50 1 d P
O55 O 0.8763(17) 0.956(3) 0.1698(13) 0.28(5) Uani 0.25 1 d P
O56 O 0.8644(16) 1.0118(7) 0.1526(12) 0.36(3) Uani 0.50 1 d P
O57 O 0.8695(11) 0.8854(13) 0.1790(10) 0.119(14) Uani 0.25 1 d P
O58 O 0.5334(16) 0.4633(12) 0.0746(10) 0.135(16) 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 0.0033 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'
Ru Ru -1.2594 0.8363 '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
N1 Ru N1 92.0(4) 18_654 .
N1 Ru N2 98.8(3) 18_654 .
N1 Ru N2 78.7(3) . .
N1 Ru N2 78.7(3) 18_654 18_654
N1 Ru N2 98.8(3) . 18_654
N2 Ru N2 176.4(4) . 18_654
N1 Ru N11 176.2(3) 18_654 .
N1 Ru N11 88.4(3) . .
N2 Ru N11 85.0(3) . .
N2 Ru N11 97.6(3) 18_654 .
N1 Ru N11 88.4(3) 18_654 18_654
N1 Ru N11 176.2(3) . 18_654
N2 Ru N11 97.6(3) . 18_654
N2 Ru N11 85.0(3) 18_654 18_654
N11 Ru N11 91.4(4) . 18_654
O1 Mn O1 176.8(4) . 18_654
O1 Mn N12 89.4(3) . .
O1 Mn N12 92.5(3) 18_654 .
O1 Mn N12 92.5(3) . 18_654
O1 Mn N12 89.4(3) 18_654 18_654
N12 Mn N12 106.7(4) . 18_654
O1 Mn O2 89.5(3) . .
O1 Mn O2 87.7(3) 18_654 .
N12 Mn O2 97.2(3) . .
N12 Mn O2 156.1(3) 18_654 .
O1 Mn O2 87.7(3) . 18_654
O1 Mn O2 89.5(3) 18_654 18_654
N12 Mn O2 156.1(3) . 18_654
N12 Mn O2 97.2(3) 18_654 18_654
O2 Mn O2 59.1(4) . 18_654
O1 Mn C41 88.39(19) . .
O1 Mn C41 88.38(19) 18_654 .
N12 Mn C41 126.67(18) . .
N12 Mn C41 126.67(18) 18_654 .
O2 Mn C41 29.55(19) . .
O2 Mn C41 29.56(19) 18_654 .
C23 O1 Mn 134.5(6) . .
C41 O2 Mn 90.9(7) . .
C1 N1 C5 118.9(8) . .
C1 N1 Ru 125.6(6) . .
C5 N1 Ru 115.3(6) . .
C10 N2 C6 118.4(7) . .
C10 N2 Ru 127.1(6) . .
C6 N2 Ru 114.2(6) . .
C15 N11 C11 115.5(8) . .
C15 N11 Ru 121.4(6) . .
C11 N11 Ru 123.1(7) . .
C17 N12 C16 115.8(7) . .
C17 N12 Mn 122.7(6) . .
C16 N12 Mn 121.4(5) . .
N1 C1 C2 122.1(10) . .
C1 C2 C3 120.2(11) . .
C2 C3 C4 117.9(11) . .
C5 C4 C3 119.8(10) . .
N1 C5 C4 121.0(9) . .
N1 C5 C6 115.6(8) . .
C4 C5 C6 123.4(9) . .
N2 C6 C7 120.6(9) . .
N2 C6 C5 115.4(8) . .
C7 C6 C5 124.0(9) . .
C8 C7 C6 119.5(9) . .
C9 C8 C7 119.4(9) . .
C8 C9 C10 119.0(10) . .
N2 C10 C9 123.2(9) . .
C12 C11 N11 123.7(10) . .
C11 C12 C13 119.3(9) . .
C12 C13 C14 119.8(9) . .
C15 C14 C13 115.8(9) . .
C15 C14 C16 121.3(8) . .
C13 C14 C16 122.9(8) . .
N11 C15 C14 125.9(8) . .
N12 C16 C14 112.1(7) . .
N12 C17 C18 128.7(8) . .
C19 C18 C23 122.6(9) . .
C19 C18 C17 115.8(8) . .
C23 C18 C17 121.5(8) . .
C20 C19 C18 120.9(10) . .
C19 C20 C21 116.2(9) . .
C19 C20 C24 121.3(10) . .
C21 C20 C24 122.4(10) . .
C20 C21 C22 125.3(9) . .
C21 C22 C23 117.1(9) . .
C21 C22 C28 122.5(9) . .
C23 C22 C28 120.3(9) . .
O1 C23 C18 122.4(8) . .
O1 C23 C22 120.4(9) . .
C18 C23 C22 117.2(8) . .
C27 C24 C26 111.2(16) . .
C27 C24 C25 110.2(16) . .
C26 C24 C25 105.7(18) . .
C27 C24 C20 112.0(12) . .
C26 C24 C20 108.5(10) . .
C25 C24 C20 109.0(10) . .
C31 C28 C29 109.9(10) . .
C31 C28 C22 109.9(9) . .
C29 C28 C22 112.1(8) . .
C31 C28 C30 109.0(9) . .
C29 C28 C30 104.8(9) . .
C22 C28 C30 111.0(9) . .
O2 C41 O2 119.2(12) . 18_654
O2 C41 C42 120.4(6) . .
O2 C41 C42 120.4(6) 18_654 .
O2 C41 Mn 59.6(6) . .
O2 C41 Mn 59.6(6) 18_654 .
C42 C41 Mn 180.000(2) . .
F4 P F3 92.3(5) . .
F4 P F5 91.4(5) . .
F3 P F5 90.8(5) . .
F4 P F6 89.7(4) . .
F3 P F6 177.9(5) . .
F5 P F6 89.9(5) . .
F4 P F2 89.7(4) . .
F3 P F2 89.4(4) . .
F5 P F2 178.8(5) . .
F6 P F2 89.8(4) . .
F4 P F1 178.5(5) . .
F3 P F1 88.6(5) . .
F5 P F1 89.9(4) . .
F6 P F1 89.4(5) . .
F2 P F1 89.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru N1 2.046(7) 18_654
Ru N1 2.046(7) .
Ru N2 2.084(7) .
Ru N2 2.084(7) 18_654
Ru N11 2.108(7) .
Ru N11 2.108(7) 18_654
Mn O1 1.857(6) .
Mn O1 1.857(6) 18_654
Mn N12 2.100(7) .
Mn N12 2.100(7) 18_654
Mn O2 2.182(7) .
Mn O2 2.182(7) 18_654
Mn C41 2.530(13) .
O1 C23 1.322(10) .
O2 C41 1.248(9) .
N1 C1 1.345(12) .
N1 C5 1.356(11) .
N2 C10 1.338(11) .
N2 C6 1.354(11) .
N11 C15 1.333(10) .
N11 C11 1.364(12) .
N12 C17 1.283(11) .
N12 C16 1.468(11) .
C1 C2 1.369(15) .
C2 C3 1.374(15) .
C3 C4 1.398(15) .
C4 C5 1.382(14) .
C5 C6 1.452(13) .
C6 C7 1.398(12) .
C7 C8 1.375(13) .
C8 C9 1.360(14) .
C9 C10 1.372(13) .
C11 C12 1.356(14) .
C12 C13 1.371(13) .
C13 C14 1.406(13) .
C14 C15 1.384(12) .
C14 C16 1.484(12) .
C17 C18 1.447(12) .
C18 C19 1.388(12) .
C18 C23 1.409(12) .
C19 C20 1.380(13) .
C20 C21 1.387(14) .
C20 C24 1.531(14) .
C21 C22 1.404(14) .
C22 C23 1.417(13) .
C22 C28 1.546(14) .
C24 C27 1.46(2) .
C24 C26 1.48(2) .
C24 C25 1.52(2) .
C28 C31 1.523(15) .
C28 C29 1.545(15) .
C28 C30 1.564(14) .
C41 O2 1.248(9) 18_654
C41 C42 1.53(2) .
P F4 1.572(8) .
P F3 1.582(8) .
P F5 1.591(7) .
P F6 1.593(9) .
P F2 1.593(7) .
P F1 1.612(8) .
O53 O54 1.35(8) .
