#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/13/7101346.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_7101346
loop_
_publ_author_name
'Ch. Elschenbroich'
'Klaus Harms'
'Jorg Six'
_publ_section_title
;
On a Novel Coordination Mode of Phosphinine C5H5P
;
_journal_issue                   32
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b606739e
_journal_year                    2006
_chemical_formula_sum            'C42.5 H30 Mn4 O13 P2'
_chemical_formula_weight         1030.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.427(7)
_cell_angle_beta                 95.207(7)
_cell_angle_gamma                92.097(7)
_cell_formula_units_Z            2
_cell_length_a                   8.9492(8)
_cell_length_b                   14.8524(13)
_cell_length_c                   16.7326(15)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     2130.8(3)
_computing_cell_refinement       'Stoe Cell'
_computing_data_collection       'Stoe Expose'
_computing_data_reduction        'Stoe Integrate'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Stoe IPDS'
_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  0.0787
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24204
_diffrn_reflns_theta_full        24.94
_diffrn_reflns_theta_max         24.94
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  0.9499
_exptl_absorpt_correction_T_min  0.6522
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1038
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.914
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     660
_refine_ls_number_reflns         7422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.914
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0373P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0760
_reflns_number_gt                5516
_reflns_number_total             7422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b606739e.txt
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'None' changed to
'none' 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_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C42.50 H30 Mn4 O13 P2'
_cod_database_code               7101346
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.10105(4) 0.22327(3) 0.40456(3) 0.03112(11) Uani 1 1 d . . .
Mn2 Mn 0.40781(4) 0.27900(3) 0.42223(3) 0.03192(11) Uani 1 1 d . . .
Mn3 Mn 0.13521(5) 0.28859(3) 0.13848(3) 0.04256(12) Uani 1 1 d . . .
Mn4 Mn 0.24852(4) 0.18984(3) 0.68163(3) 0.03608(11) Uani 1 1 d . . .
P1 P 0.21128(7) 0.26519(5) 0.30744(5) 0.03301(16) Uani 1 1 d . . .
C2 C 0.2460(3) 0.19545(19) 0.20545(19) 0.0394(7) Uani 1 1 d . . .
C3 C 0.3456(3) 0.2304(2) 0.1583(2) 0.0407(7) Uani 1 1 d . . .
H3 H 0.393(3) 0.185(2) 0.110(2) 0.048(8) Uiso 1 1 d . . .
C4 C 0.3728(3) 0.3277(2) 0.16529(19) 0.0404(7) Uani 1 1 d . . .
C5 C 0.2897(3) 0.3927(2) 0.2197(2) 0.0407(7) Uani 1 1 d . . .
H5 H 0.294(3) 0.461(2) 0.216(2) 0.051(9) Uiso 1 1 d . . .
C6 C 0.1891(3) 0.36971(19) 0.27154(19) 0.0389(7) Uani 1 1 d . . .
C7 C 0.4775(3) 0.3619(2) 0.1141(2) 0.0443(7) Uani 1 1 d . . .
C8 C 0.4719(4) 0.3225(3) 0.0289(2) 0.0571(9) Uani 1 1 d . . .
H8 H 0.401(4) 0.269(2) 0.000(2) 0.063(10) Uiso 1 1 d . . .
C9 C 0.5714(5) 0.3562(3) -0.0186(3) 0.0680(10) Uani 1 1 d . . .
H9 H 0.573(4) 0.317(2) -0.084(2) 0.063(10) Uiso 1 1 d . . .
C10 C 0.6756(4) 0.4286(3) 0.0209(3) 0.0650(10) Uani 1 1 d . . .
H10 H 0.747(4) 0.444(3) -0.010(2) 0.070(11) Uiso 1 1 d . . .
C11 C 0.6809(5) 0.4676(3) 0.1048(3) 0.0672(11) Uani 1 1 d . . .
H11 H 0.755(5) 0.514(3) 0.130(3) 0.087(14) Uiso 1 1 d . . .
C12 C 0.5834(4) 0.4339(2) 0.1517(3) 0.0561(9) Uani 1 1 d . . .
H12 H 0.591(4) 0.463(2) 0.212(3) 0.063(10) Uiso 1 1 d . . .
C13 C 0.2092(4) 0.0906(2) 0.1794(2) 0.0480(8) Uani 1 1 d . . .
H13A H 0.275(4) 0.065(2) 0.211(2) 0.047(9) Uiso 1 1 d . . .
H13B H 0.108(4) 0.076(2) 0.192(2) 0.064(11) Uiso 1 1 d . . .
H13C H 0.228(4) 0.062(3) 0.118(3) 0.078(12) Uiso 1 1 d . . .
C14 C 0.0904(4) 0.4452(2) 0.3137(3) 0.0493(8) Uani 1 1 d . . .
H14A H 0.137(3) 0.476(2) 0.373(2) 0.040(8) Uiso 1 1 d . . .
H14B H -0.004(4) 0.413(2) 0.313(2) 0.044(8) Uiso 1 1 d . . .
H14C H 0.081(4) 0.493(2) 0.281(2) 0.064(10) Uiso 1 1 d . . .
P15 P 0.25208(7) 0.22660(4) 0.51540(5) 0.03051(15) Uani 1 1 d . . .
C16 C 0.2622(3) 0.30496(18) 0.61961(18) 0.0350(6) Uani 1 1 d . . .
C17 C 0.3888(3) 0.30661(19) 0.6761(2) 0.0355(6) Uani 1 1 d . . .
H17 H 0.408(3) 0.3583(19) 0.7227(18) 0.029(7) Uiso 1 1 d . . .
C18 C 0.4801(3) 0.22868(18) 0.67433(18) 0.0347(6) Uani 1 1 d . . .
C19 C 0.4349(3) 0.14240(19) 0.61454(19) 0.0357(6) Uani 1 1 d . . .
H19 H 0.484(3) 0.086(2) 0.620(2) 0.050(9) Uiso 1 1 d . . .
C20 C 0.3105(3) 0.12907(18) 0.55389(18) 0.0355(6) Uani 1 1 d . . .
C21 C 0.6142(3) 0.23855(19) 0.7356(2) 0.0393(7) Uani 1 1 d . . .
C22 C 0.7049(3) 0.3218(2) 0.7588(2) 0.0459(7) Uani 1 1 d . . .
H22 H 0.683(3) 0.366(2) 0.730(2) 0.049(9) Uiso 1 1 d . . .
C23 C 0.8300(4) 0.3322(3) 0.8163(2) 0.0548(9) Uani 1 1 d . . .
H23 H 0.883(4) 0.388(2) 0.831(2) 0.058(10) Uiso 1 1 d . . .
C24 C 0.8669(4) 0.2609(3) 0.8510(2) 0.0561(9) Uani 1 1 d . . .
H24 H 0.954(4) 0.268(2) 0.890(2) 0.048(9) Uiso 1 1 d . . .
C25 C 0.7817(4) 0.1778(3) 0.8265(2) 0.0583(9) Uani 1 1 d . . .
H25 H 0.806(4) 0.128(3) 0.850(2) 0.071(11) Uiso 1 1 d . . .
C26 C 0.6559(4) 0.1666(2) 0.7701(2) 0.0500(8) Uani 1 1 d . . .
H26 H 0.599(4) 0.111(3) 0.755(2) 0.062(10) Uiso 1 1 d . . .
C27 C 0.1615(4) 0.3858(2) 0.6397(2) 0.0446(7) Uani 1 1 d . . .
H27A H 0.185(3) 0.430(2) 0.613(2) 0.041(8) Uiso 1 1 d . . .
H27B H 0.175(4) 0.416(2) 0.701(2) 0.054(9) Uiso 1 1 d . . .
H27C H 0.055(4) 0.363(2) 0.621(2) 0.053(9) Uiso 1 1 d . . .
C28 C 0.2612(4) 0.0293(2) 0.5058(2) 0.0426(7) Uani 1 1 d . . .
H28A H 0.302(3) 0.010(2) 0.453(2) 0.044(9) Uiso 1 1 d . . .
H28B H 0.290(4) -0.011(3) 0.535(3) 0.077(12) Uiso 1 1 d . . .
H28C H 0.148(4) 0.027(2) 0.490(2) 0.067(11) Uiso 1 1 d . . .
O29 O 0.1013(2) 0.01854(13) 0.32709(14) 0.0450(5) Uani 1 1 d . . .
C29 C 0.1119(3) 0.0981(2) 0.35700(19) 0.0364(6) Uani 1 1 d . . .
O30 O -0.2186(2) 0.16543(18) 0.3919(2) 0.0876(10) Uani 1 1 d . . .
C30 C -0.0922(3) 0.1881(2) 0.3963(2) 0.0503(8) Uani 1 1 d . . .
C31 C 0.0232(3) 0.33616(19) 0.44748(19) 0.0368(6) Uani 1 1 d . . .
O31 O -0.0444(2) 0.40013(14) 0.47291(14) 0.0470(5) Uani 1 1 d . . .
O32 O 0.6630(2) 0.30838(18) 0.55427(16) 0.0589(6) Uani 1 1 d . . .
C32 C 0.5623(3) 0.2944(2) 0.5048(2) 0.0403(7) Uani 1 1 d . . .
O33 O 0.3317(2) 0.47606(14) 0.49558(17) 0.0602(7) Uani 1 1 d . . .
C33 C 0.3572(3) 0.3998(2) 0.4671(2) 0.0421(7) Uani 1 1 d . . .
O34 O 0.6178(2) 0.34745(18) 0.32095(16) 0.0608(6) Uani 1 1 d . . .
C34 C 0.5328(3) 0.3197(2) 0.3574(2) 0.0415(7) Uani 1 1 d . . .
O35 O 0.4702(2) 0.07875(14) 0.35011(16) 0.0521(6) Uani 1 1 d . . .
C35 C 0.4456(3) 0.1556(2) 0.3776(2) 0.0393(7) Uani 1 1 d . . .
C36 C -0.0515(4) 0.2658(3) 0.1665(2) 0.0604(9) Uani 1 1 d . . .
O36 O -0.1684(3) 0.2541(3) 0.1851(2) 0.0962(10) Uani 1 1 d . . .
O37 O 0.0803(4) 0.1481(2) -0.02498(19) 0.0852(9) Uani 1 1 d . . .
C37 C 0.1022(4) 0.2033(3) 0.0388(3) 0.0579(9) Uani 1 1 d . . .
O38 O 0.0493(3) 0.43097(19) 0.0517(2) 0.0780(8) Uani 1 1 d . . .
C38 C 0.0802(4) 0.3763(2) 0.0871(2) 0.0541(8) Uani 1 1 d . . .
C39 C 0.2286(3) 0.2518(2) 0.7874(2) 0.0479(8) Uani 1 1 d . . .
O39 O 0.2235(3) 0.2905(2) 0.85658(17) 0.0704(7) Uani 1 1 d . . .
O40 O 0.2461(3) 0.01993(18) 0.74265(19) 0.0715(7) Uani 1 1 d . . .
C40 C 0.2463(3) 0.0844(2) 0.7167(2) 0.0490(8) Uani 1 1 d . . .
O41 O -0.0759(2) 0.16900(16) 0.62144(15) 0.0533(6) Uani 1 1 d . . .
C41 C 0.0480(3) 0.17583(19) 0.6454(2) 0.0410(7) Uani 1 1 d . . .
C901 C 0.3731(10) -0.0268(6) -0.0495(6) 0.143(3) Uani 1 1 d . . .
H90F H 0.2815 -0.0428 -0.0862 0.172 Uiso 0.50 1 d PR A 2
C907 C 0.2433(10) -0.0532(6) -0.0856(6) 0.295(17) Uani 0.50 1 d PR A 1
H90C H 0.1992 -0.1071 -0.0731 0.443 Uiso 0.50 1 d PR A 1
H90D H 0.1789 -0.0022 -0.0714 0.443 Uiso 0.50 1 d PR A 1
H90E H 0.2552 -0.0677 -0.1440 0.443 Uiso 0.50 1 d PR A 1
C902 C 0.4029(13) -0.0789(6) 0.0024(6) 0.161(4) Uani 1 1 d . A .
H90A H 0.3378 -0.1314 0.0032 0.193 Uiso 1 1 d R . .
C903 C 0.5381(12) -0.0490(7) 0.0549(5) 0.131(3) Uani 1 1 d . . .
H90B H 0.5712 -0.0809 0.0956 0.158 Uiso 1 1 d R A .
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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
C30 Mn1 C29 81.22(12) . .
C30 Mn1 C31 79.53(12) . .
C29 Mn1 C31 160.73(11) . .
C30 Mn1 P15 121.61(13) . .
C29 Mn1 P15 94.83(9) . .
C31 Mn1 P15 95.99(9) . .
C30 Mn1 P1 124.47(13) . .
C29 Mn1 P1 94.15(9) . .
C31 Mn1 P1 95.97(9) . .
P15 Mn1 P1 113.91(3) . .
C30 Mn1 Mn2 178.47(13) . .
C29 Mn1 Mn2 99.05(8) . .
C31 Mn1 Mn2 100.22(8) . .
P15 Mn1 Mn2 56.88(2) . .
P1 Mn1 Mn2 57.04(2) . .
C34 Mn2 C32 90.23(13) . .
C34 Mn2 C33 90.38(13) . .
C32 Mn2 C33 90.14(13) . .
C34 Mn2 C35 92.59(13) . .
C32 Mn2 C35 92.12(13) . .
C33 Mn2 C35 176.25(11) . .
C34 Mn2 P15 176.75(10) . .
C32 Mn2 P15 86.54(9) . .
C33 Mn2 P15 89.32(9) . .
C35 Mn2 P15 87.83(9) . .
C34 Mn2 P1 85.98(10) . .
C32 Mn2 P1 176.04(9) . .
C33 Mn2 P1 88.74(10) . .
C35 Mn2 P1 89.21(10) . .
P15 Mn2 P1 97.24(3) . .
C34 Mn2 Mn1 134.64(10) . .
C32 Mn2 Mn1 135.08(9) . .
C33 Mn2 Mn1 87.95(8) . .
C35 Mn2 Mn1 88.34(8) . .
P15 Mn2 Mn1 48.58(2) . .
P1 Mn2 Mn1 48.67(2) . .
C37 Mn3 C38 88.02(16) . .
C37 Mn3 C36 93.06(17) . .
C38 Mn3 C36 95.20(16) . .
C37 Mn3 C5 145.72(14) . .
C38 Mn3 C5 87.33(14) . .
C36 Mn3 C5 121.19(15) . .
C37 Mn3 C3 88.75(14) . .
C38 Mn3 C3 132.42(13) . .
C36 Mn3 C3 132.37(14) . .
C5 Mn3 C3 69.97(11) . .
C37 Mn3 C4 109.02(14) . .
C38 Mn3 C4 98.94(13) . .
C36 Mn3 C4 154.04(15) . .
C5 Mn3 C4 38.74(11) . .
C3 Mn3 C4 38.84(11) . .
C37 Mn3 C2 96.29(13) . .
C38 Mn3 C2 168.91(13) . .
C36 Mn3 C2 94.76(14) . .
C5 Mn3 C2 83.35(11) . .
C3 Mn3 C2 37.93(11) . .
C4 Mn3 C2 70.00(11) . .
C37 Mn3 C6 168.42(13) . .
C38 Mn3 C6 103.56(14) . .
C36 Mn3 C6 86.06(15) . .
C5 Mn3 C6 37.33(11) . .
C3 Mn3 C6 83.38(11) . .
C4 Mn3 C6 69.55(11) . .
C2 Mn3 C6 72.30(10) . .
C37 Mn3 P1 130.70(11) . .
C38 Mn3 P1 140.86(12) . .
C36 Mn3 P1 79.39(12) . .
C5 Mn3 P1 64.15(8) . .
C3 Mn3 P1 64.28(9) . .
C4 Mn3 P1 75.88(8) . .
C2 Mn3 P1 37.44(8) . .
C6 Mn3 P1 37.81(7) . .
C39 Mn4 C40 86.48(15) . .
C39 Mn4 C41 96.32(14) . .
C40 Mn4 C41 93.85(13) . .
C39 Mn4 C17 87.29(13) . .
C40 Mn4 C17 143.35(13) . .
C41 Mn4 C17 122.74(12) . .
C39 Mn4 C19 134.37(13) . .
C40 Mn4 C19 89.15(13) . .
C41 Mn4 C19 129.30(13) . .
C17 Mn4 C19 70.12(10) . .
C39 Mn4 C18 100.40(13) . .
C40 Mn4 C18 107.11(12) . .
C41 Mn4 C18 153.80(12) . .
C17 Mn4 C18 39.18(10) . .
C19 Mn4 C18 38.66(11) . .
C39 Mn4 C20 169.84(12) . .
C40 Mn4 C20 98.65(13) . .
C41 Mn4 C20 92.10(12) . .
C17 Mn4 C20 83.37(11) . .
C19 Mn4 C20 37.71(11) . .
C18 Mn4 C20 69.75(10) . .
C39 Mn4 C16 102.52(13) . .
C40 Mn4 C16 170.84(13) . .
C41 Mn4 C16 86.88(11) . .
C17 Mn4 C16 37.46(11) . .
C19 Mn4 C16 83.36(10) . .
C18 Mn4 C16 69.94(10) . .
C20 Mn4 C16 72.19(10) . .
C2 P1 C6 92.52(13) . .
C2 P1 Mn1 129.23(9) . .
C6 P1 Mn1 128.75(10) . .
C2 P1 Mn2 117.52(10) . .
C6 P1 Mn2 115.49(10) . .
Mn1 P1 Mn2 74.28(3) . .
C2 P1 Mn3 48.02(9) . .
C6 P1 Mn3 48.77(10) . .
Mn1 P1 Mn3 139.33(3) . .
Mn2 P1 Mn3 146.38(3) . .
C3 C2 C13 116.5(3) . .
C3 C2 P1 120.4(2) . .
C13 C2 P1 120.6(2) . .
C3 C2 Mn3 68.24(16) . .
C13 C2 Mn3 121.7(2) . .
P1 C2 Mn3 94.54(12) . .
C2 C3 C4 123.7(3) . .
C2 C3 Mn3 73.83(17) . .
C4 C3 Mn3 71.45(17) . .
C2 C3 H3 120.3(16) . .
C4 C3 H3 115.5(16) . .
Mn3 C3 H3 121.6(17) . .
C5 C4 C3 118.1(3) . .
C5 C4 C7 119.6(3) . .
C3 C4 C7 122.2(3) . .
C5 C4 Mn3 69.52(17) . .
C3 C4 Mn3 69.70(17) . .
C7 C4 Mn3 129.5(2) . .
C6 C5 C4 125.1(3) . .
C6 C5 Mn3 75.29(18) . .
C4 C5 Mn3 71.74(17) . .
C6 C5 H5 116.7(17) . .
C4 C5 H5 117.8(17) . .
Mn3 C5 H5 121.7(18) . .
C5 C6 C14 117.6(3) . .
C5 C6 P1 119.9(2) . .
C14 C6 P1 120.6(2) . .
C5 C6 Mn3 67.38(17) . .
C14 C6 Mn3 121.6(2) . .
P1 C6 Mn3 93.42(12) . .
C12 C7 C8 118.8(3) . .
C12 C7 C4 119.8(3) . .
C8 C7 C4 121.5(3) . .
C7 C8 C9 120.6(3) . .
C7 C8 H8 121(2) . .
C9 C8 H8 118(2) . .
C10 C9 C8 119.2(4) . .
C10 C9 H9 122.5(18) . .
C8 C9 H9 117.7(18) . .
C11 C10 C9 120.2(3) . .
C11 C10 H10 122(2) . .
C9 C10 H10 117(2) . .
C10 C11 C12 120.6(4) . .
C10 C11 H11 119(3) . .
C12 C11 H11 120(3) . .
C7 C12 C11 120.6(4) . .
C7 C12 H12 121(2) . .
C11 C12 H12 119(2) . .
C2 C13 H13A 107(2) . .
C2 C13 H13B 110(2) . .
H13A C13 H13B 108(3) . .
C2 C13 H13C 111(2) . .
H13A C13 H13C 107(3) . .
H13B C13 H13C 114(3) . .
C6 C14 H14A 109.5(17) . .
C6 C14 H14B 104.8(18) . .
H14A C14 H14B 112(3) . .
C6 C14 H14C 109(2) . .
H14A C14 H14C 109(3) . .
H14B C14 H14C 112(3) . .
C20 P15 C16 92.59(13) . .
C20 P15 Mn1 128.14(10) . .
C16 P15 Mn1 129.77(9) . .
C20 P15 Mn2 118.22(9) . .
C16 P15 Mn2 114.52(9) . .
Mn1 P15 Mn2 74.55(3) . .
C17 C16 C27 117.6(3) . .
C17 C16 P15 119.2(2) . .
C27 C16 P15 121.1(2) . .
C17 C16 Mn4 67.46(15) . .
C27 C16 Mn4 120.9(2) . .
P15 C16 Mn4 94.29(11) . .
C16 C17 C18 124.5(3) . .
C16 C17 Mn4 75.08(16) . .
C18 C17 Mn4 71.28(15) . .
C16 C17 H17 118.6(17) . .
C18 C17 H17 116.3(17) . .
Mn4 C17 H17 120.3(16) . .
C19 C18 C17 118.1(3) . .
C19 C18 C21 121.7(2) . .
C17 C18 C21 120.2(2) . .
C19 C18 Mn4 69.84(15) . .
C17 C18 Mn4 69.53(15) . .
C21 C18 Mn4 130.6(2) . .
C20 C19 C18 124.4(3) . .
C20 C19 Mn4 74.43(16) . .
C18 C19 Mn4 71.50(16) . .
C20 C19 H19 116.5(19) . .
C18 C19 H19 118.6(19) . .
Mn4 C19 H19 121.4(18) . .
C19 C20 C28 117.2(2) . .
C19 C20 P15 119.3(2) . .
C28 C20 P15 121.0(2) . .
C19 C20 Mn4 67.86(16) . .
C28 C20 Mn4 121.4(2) . .
P15 C20 Mn4 94.76(12) . .
C26 C21 C22 118.1(3) . .
C26 C21 C18 122.2(3) . .
C22 C21 C18 119.7(3) . .
C23 C22 C21 120.3(3) . .
C23 C22 H22 122(2) . .
C21 C22 H22 117(2) . .
C24 C23 C22 120.6(3) . .
C24 C23 H23 122(2) . .
C22 C23 H23 117(2) . .
C25 C24 C23 119.6(3) . .
C25 C24 H24 120.0(19) . .
C23 C24 H24 120.3(19) . .
C24 C25 C26 120.6(3) . .
C24 C25 H25 120(2) . .
C26 C25 H25 119(2) . .
C25 C26 C21 120.8(3) . .
C25 C26 H26 119(2) . .
C21 C26 H26 120(2) . .
C16 C27 H27A 111.2(19) . .
C16 C27 H27B 109.2(19) . .
H27A C27 H27B 108(3) . .
C16 C27 H27C 109.8(19) . .
H27A C27 H27C 108(3) . .
H27B C27 H27C 110(3) . .
C20 C28 H28A 113.1(18) . .
C20 C28 H28B 111(3) . .
H28A C28 H28B 107(3) . .
C20 C28 H28C 107.4(19) . .
H28A C28 H28C 104(3) . .
H28B C28 H28C 114(3) . .
O29 C29 Mn1 172.2(2) . .
O30 C30 Mn1 179.1(4) . .
O31 C31 Mn1 170.6(2) . .
O32 C32 Mn2 175.5(3) . .
O33 C33 Mn2 177.2(2) . .
O34 C34 Mn2 175.7(3) . .
O35 C35 Mn2 179.5(3) . .
O36 C36 Mn3 178.2(4) . .
O37 C37 Mn3 179.5(4) . .
O38 C38 Mn3 177.0(3) . .
O39 C39 Mn4 176.4(3) . .
O40 C40 Mn4 176.9(3) . .
O41 C41 Mn4 177.8(3) . .
C907 C901 C902 107.1(8) . .
C907 C901 C903 127.0(7) . 2_655
C902 C901 C903 125.6(10) . 2_655
C907 C901 H90F 11.6 . .
C902 C901 H90F 117.1 . .
C903 C901 H90F 117.3 2_655 .
C901 C907 H90F 31.3 . .
C901 C907 H90C 114.4 . .
H90F C907 H90C 137.9 . .
C901 C907 H90D 109.0 . .
H90F C907 H90D 107.2 . .
H90C C907 H90D 109.5 . .
C901 C907 H90E 104.8 . .
H90F C907 H90E 76.3 . .
H90C C907 H90E 109.5 . .
H90D C907 H90E 109.5 . .
C901 C902 C903 113.1(10) . .
C901 C902 H90A 122.2 . .
C903 C902 H90A 124.6 . .
C901 C903 C902 121.3(8) 2_655 .
C901 C903 H90B 117.8 2_655 .
C902 C903 H90B 120.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 C30 1.771(3) .
Mn1 C29 1.828(3) .
Mn1 C31 1.830(3) .
Mn1 P15 2.1818(9) .
Mn1 P1 2.1878(8) .
Mn1 Mn2 2.8045(6) .
Mn2 C34 1.820(3) .
Mn2 C32 1.825(3) .
Mn2 C33 1.842(3) .
Mn2 C35 1.843(3) .
Mn2 P15 2.4369(8) .
Mn2 P1 2.4446(9) .
Mn3 C37 1.798(4) .
Mn3 C38 1.802(3) .
Mn3 C36 1.820(4) .
Mn3 C5 2.129(3) .
Mn3 C3 2.135(3) .
Mn3 C4 2.158(3) .
Mn3 C2 2.208(3) .
Mn3 C6 2.231(3) .
Mn3 P1 2.9610(9) .
Mn4 C39 1.793(4) .
Mn4 C40 1.813(3) .
Mn4 C41 1.827(3) .
Mn4 C17 2.130(3) .
Mn4 C19 2.132(3) .
Mn4 C18 2.154(3) .
Mn4 C20 2.217(3) .
Mn4 C16 2.229(3) .
P1 C2 1.806(3) .
P1 C6 1.819(3) .
C2 C3 1.413(4) .
C2 C13 1.516(4) .
C3 C4 1.428(4) .
C3 H3 1.05(3) .
C4 C5 1.422(4) .
C4 C7 1.487(4) .
C5 C6 1.399(4) .
C5 H5 1.04(3) .
C6 C14 1.517(4) .
C7 C12 1.378(5) .
C7 C8 1.386(5) .
C8 C9 1.408(5) .
C8 H8 0.98(4) .
C9 C10 1.378(6) .
C9 H9 1.09(4) .
C10 C11 1.364(6) .
C10 H10 0.92(4) .
C11 C12 1.389(5) .
C11 H11 0.92(4) .
C12 H12 0.99(4) .
C13 H13A 0.92(4) .
C13 H13B 0.98(4) .
C13 H13C 1.04(4) .
C14 H14A 1.01(3) .
C14 H14B 0.95(3) .
C14 H14C 1.01(4) .
P15 C20 1.810(3) .
P15 C16 1.813(3) .
C16 C17 1.403(4) .
C16 C27 1.512(4) .
C17 C18 1.437(4) .
C17 H17 0.93(3) .
C18 C19 1.419(4) .
C18 C21 1.482(4) .
C19 C20 1.408(4) .
C19 H19 0.99(3) .
C20 C28 1.514(4) .
C21 C26 1.390(4) .
C21 C22 1.397(4) .
C22 C23 1.385(5) .
C22 H22 0.93(3) .
C23 C24 1.373(5) .
C23 H23 0.90(3) .
C24 C25 1.370(5) .
C24 H24 0.95(3) .
C25 C26 1.378(5) .
C25 H25 0.94(4) .
C26 H26 0.91(4) .
C27 H27A 0.91(3) .
C27 H27B 1.00(4) .
C27 H27C 0.99(3) .
C28 H28A 0.95(3) .
C28 H28B 0.90(4) .
C28 H28C 1.02(4) .
O29 C29 1.150(3) .
O30 C30 1.158(3) .
C31 O31 1.150(3) .
O32 C32 1.141(4) .
O33 C33 1.146(3) .
O34 C34 1.148(3) .
O35 C35 1.149(3) .
C36 O36 1.139(4) .
O37 C37 1.155(5) .
O38 C38 1.152(4) .
C39 O39 1.153(4) .
O40 C40 1.151(4) .
O41 C41 1.136(4) .
C901 C907 1.2575 .
C901 C902 1.325(11) .
C901 C903 1.382(10) 2_655
C901 H90F 0.9600 .
C907 H90F 0.3714 .
C907 H90C 0.9599 .
C907 H90D 0.9599 .
C907 H90E 0.9599 .
C902 C903 1.411(12) .
C902 H90A 0.9600 .
C903 C901 1.382(10) 2_655
C903 H90B 0.9602 .
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
C30 Mn1 Mn2 C34 -169(4) . .
C29 Mn1 Mn2 C34 90.70(16) . .
C31 Mn1 Mn2 C34 -88.90(16) . .
P15 Mn1 Mn2 C34 -179.42(13) . .
P1 Mn1 Mn2 C34 1.61(13) . .
C30 Mn1 Mn2 C32 7(4) . .
C29 Mn1 Mn2 C32 -92.65(16) . .
C31 Mn1 Mn2 C32 87.74(16) . .
P15 Mn1 Mn2 C32 -2.77(13) . .
P1 Mn1 Mn2 C32 178.26(13) . .
C30 Mn1 Mn2 C33 -81(4) . .
C29 Mn1 Mn2 C33 179.22(14) . .
C31 Mn1 Mn2 C33 -0.39(14) . .
P15 Mn1 Mn2 C33 -90.90(10) . .
P1 Mn1 Mn2 C33 90.12(10) . .
C30 Mn1 Mn2 C35 99(4) . .
C29 Mn1 Mn2 C35 -1.31(13) . .
C31 Mn1 Mn2 C35 179.09(13) . .
P15 Mn1 Mn2 C35 88.57(10) . .
P1 Mn1 Mn2 C35 -90.40(10) . .
C30 Mn1 Mn2 P15 10(4) . .
C29 Mn1 Mn2 P15 -89.88(10) . .
C31 Mn1 Mn2 P15 90.51(10) . .
P1 Mn1 Mn2 P15 -178.97(3) . .
C30 Mn1 Mn2 P1 -171(4) . .
C29 Mn1 Mn2 P1 89.09(10) . .
C31 Mn1 Mn2 P1 -90.51(10) . .
P15 Mn1 Mn2 P1 178.97(3) . .
C30 Mn1 P1 C2 -67.35(17) . .
C29 Mn1 P1 C2 14.85(15) . .
C31 Mn1 P1 C2 -148.73(15) . .
P15 Mn1 P1 C2 112.00(13) . .
Mn2 Mn1 P1 C2 112.95(13) . .
C30 Mn1 P1 C6 69.37(18) . .
C29 Mn1 P1 C6 151.57(15) . .
C31 Mn1 P1 C6 -12.00(16) . .
P15 Mn1 P1 C6 -111.27(13) . .
Mn2 Mn1 P1 C6 -110.33(13) . .
C30 Mn1 P1 Mn2 179.71(12) . .
C29 Mn1 P1 Mn2 -98.09(9) . .
C31 Mn1 P1 Mn2 98.33(9) . .
P15 Mn1 P1 Mn2 -0.94(3) . .
C30 Mn1 P1 Mn3 0.64(13) . .
C29 Mn1 P1 Mn3 82.84(10) . .
C31 Mn1 P1 Mn3 -80.74(10) . .
P15 Mn1 P1 Mn3 179.99(4) . .
Mn2 Mn1 P1 Mn3 -179.07(6) . .
C34 Mn2 P1 C2 54.69(14) . .
C32 Mn2 P1 C2 71.6(14) . .
C33 Mn2 P1 C2 145.17(13) . .
C35 Mn2 P1 C2 -37.96(13) . .
P15 Mn2 P1 C2 -125.68(10) . .
Mn1 Mn2 P1 C2 -126.45(11) . .
C34 Mn2 P1 C6 -52.96(14) . .
C32 Mn2 P1 C6 -36.0(14) . .
C33 Mn2 P1 C6 37.51(14) . .
C35 Mn2 P1 C6 -145.62(13) . .
P15 Mn2 P1 C6 126.67(10) . .
Mn1 Mn2 P1 C6 125.89(11) . .
C34 Mn2 P1 Mn1 -178.85(9) . .
C32 Mn2 P1 Mn1 -161.9(14) . .
C33 Mn2 P1 Mn1 -88.38(9) . .
C35 Mn2 P1 Mn1 88.49(9) . .
P15 Mn2 P1 Mn1 0.78(3) . .
C34 Mn2 P1 Mn3 0.05(11) . .
C32 Mn2 P1 Mn3 17.0(14) . .
C33 Mn2 P1 Mn3 90.53(10) . .
C35 Mn2 P1 Mn3 -92.60(10) . .
P15 Mn2 P1 Mn3 179.68(5) . .
Mn1 Mn2 P1 Mn3 178.91(7) . .
C37 Mn3 P1 C2 27.68(19) . .
C38 Mn3 P1 C2 -162.3(2) . .
C36 Mn3 P1 C2 112.55(18) . .
C5 Mn3 P1 C2 -114.90(15) . .
C3 Mn3 P1 C2 -35.81(15) . .
C4 Mn3 P1 C2 -75.43(14) . .
C6 Mn3 P1 C2 -150.14(17) . .
C37 Mn3 P1 C6 177.83(19) . .
C38 Mn3 P1 C6 -12.1(2) . .
C36 Mn3 P1 C6 -97.31(17) . .
C5 Mn3 P1 C6 35.24(14) . .
C3 Mn3 P1 C6 114.34(15) . .
C4 Mn3 P1 C6 74.71(14) . .
C2 Mn3 P1 C6 150.14(17) . .
C37 Mn3 P1 Mn1 -77.27(16) . .
C38 Mn3 P1 Mn1 92.78(17) . .
C36 Mn3 P1 Mn1 7.59(13) . .
C5 Mn3 P1 Mn1 140.14(10) . .
C3 Mn3 P1 Mn1 -140.76(10) . .
C4 Mn3 P1 Mn1 179.62(9) . .
C2 Mn3 P1 Mn1 -104.96(13) . .
C6 Mn3 P1 Mn1 104.90(13) . .
C37 Mn3 P1 Mn2 104.34(16) . .
C38 Mn3 P1 Mn2 -85.60(17) . .
C36 Mn3 P1 Mn2 -170.79(14) . .
C5 Mn3 P1 Mn2 -38.25(10) . .
C3 Mn3 P1 Mn2 40.85(10) . .
C4 Mn3 P1 Mn2 1.23(9) . .
C2 Mn3 P1 Mn2 76.66(13) . .
C6 Mn3 P1 Mn2 -73.48(13) . .
C6 P1 C2 C3 45.4(2) . .
Mn1 P1 C2 C3 -166.98(18) . .
Mn2 P1 C2 C3 -75.2(2) . .
Mn3 P1 C2 C3 67.4(2) . .
C6 P1 C2 C13 -153.2(3) . .
Mn1 P1 C2 C13 -5.6(3) . .
Mn2 P1 C2 C13 86.2(3) . .
Mn3 P1 C2 C13 -131.2(3) . .
C6 P1 C2 Mn3 -22.01(13) . .
Mn1 P1 C2 Mn3 125.63(8) . .
Mn2 P1 C2 Mn3 -142.59(6) . .
C37 Mn3 C2 C3 79.8(2) . .
C38 Mn3 C2 C3 -32.7(8) . .
C36 Mn3 C2 C3 173.4(2) . .
C5 Mn3 C2 C3 -65.70(18) . .
C4 Mn3 C2 C3 -28.19(18) . .
C6 Mn3 C2 C3 -102.28(19) . .
P1 Mn3 C2 C3 -121.0(2) . .
C37 Mn3 C2 C13 -28.8(3) . .
C38 Mn3 C2 C13 -141.3(7) . .
C36 Mn3 C2 C13 64.8(3) . .
C5 Mn3 C2 C13 -174.3(3) . .
C3 Mn3 C2 C13 -108.6(3) . .
C4 Mn3 C2 C13 -136.8(3) . .
C6 Mn3 C2 C13 149.2(3) . .
P1 Mn3 C2 C13 130.5(3) . .
C37 Mn3 C2 P1 -159.25(15) . .
C38 Mn3 C2 P1 88.3(8) . .
C36 Mn3 C2 P1 -65.63(17) . .
C5 Mn3 C2 P1 55.26(12) . .
C3 Mn3 C2 P1 121.0(2) . .
C4 Mn3 C2 P1 92.77(14) . .
C6 Mn3 C2 P1 18.69(11) . .
C13 C2 C3 C4 169.4(3) . .
P1 C2 C3 C4 -28.5(4) . .
Mn3 C2 C3 C4 53.8(3) . .
C13 C2 C3 Mn3 115.6(3) . .
P1 C2 C3 Mn3 -82.23(19) . .
C37 Mn3 C3 C2 -101.9(2) . .
C38 Mn3 C3 C2 171.9(2) . .
C36 Mn3 C3 C2 -8.9(3) . .
C5 Mn3 C3 C2 105.51(19) . .
C4 Mn3 C3 C2 134.9(3) . .
C6 Mn3 C3 C2 69.57(18) . .
P1 Mn3 C3 C2 35.35(15) . .
C37 Mn3 C3 C4 123.1(2) . .
C38 Mn3 C3 C4 37.0(3) . .
C36 Mn3 C3 C4 -143.9(2) . .
C5 Mn3 C3 C4 -29.44(18) . .
C2 Mn3 C3 C4 -134.9(3) . .
C6 Mn3 C3 C4 -65.37(18) . .
P1 Mn3 C3 C4 -99.59(18) . .
C2 C3 C4 C5 -3.2(5) . .
Mn3 C3 C4 C5 51.6(3) . .
C2 C3 C4 C7 -179.4(3) . .
Mn3 C3 C4 C7 -124.7(3) . .
C2 C3 C4 Mn3 -54.8(3) . .
C37 Mn3 C4 C5 165.24(19) . .
C38 Mn3 C4 C5 74.3(2) . .
C36 Mn3 C4 C5 -48.0(4) . .
C3 Mn3 C4 C5 -132.5(3) . .
C2 Mn3 C4 C5 -104.87(19) . .
C6 Mn3 C4 C5 -26.97(16) . .
P1 Mn3 C4 C5 -66.11(16) . .
C37 Mn3 C4 C3 -62.3(2) . .
C38 Mn3 C4 C3 -153.3(2) . .
C36 Mn3 C4 C3 84.5(4) . .
C5 Mn3 C4 C3 132.5(3) . .
C2 Mn3 C4 C3 27.58(17) . .
C6 Mn3 C4 C3 105.48(19) . .
P1 Mn3 C4 C3 66.34(16) . .
C37 Mn3 C4 C7 53.2(3) . .
C38 Mn3 C4 C7 -37.8(3) . .
C36 Mn3 C4 C7 -160.0(3) . .
C5 Mn3 C4 C7 -112.0(3) . .
C3 Mn3 C4 C7 115.5(3) . .
C2 Mn3 C4 C7 143.1(3) . .
C6 Mn3 C4 C7 -139.0(3) . .
P1 Mn3 C4 C7 -178.1(3) . .
C3 C4 C5 C6 4.3(5) . .
C7 C4 C5 C6 -179.3(3) . .
Mn3 C4 C5 C6 56.0(3) . .
C3 C4 C5 Mn3 -51.7(3) . .
C7 C4 C5 Mn3 124.7(3) . .
C37 Mn3 C5 C6 -160.8(2) . .
C38 Mn3 C5 C6 116.62(19) . .
C36 Mn3 C5 C6 22.2(2) . .
C3 Mn3 C5 C6 -106.00(18) . .
C4 Mn3 C5 C6 -135.5(2) . .
C2 Mn3 C5 C6 -69.40(17) . .
P1 Mn3 C5 C6 -35.68(13) . .
C37 Mn3 C5 C4 -25.3(3) . .
C38 Mn3 C5 C4 -107.9(2) . .
C36 Mn3 C5 C4 157.67(19) . .
C3 Mn3 C5 C4 29.51(17) . .
C2 Mn3 C5 C4 66.12(17) . .
C6 Mn3 C5 C4 135.5(2) . .
P1 Mn3 C5 C4 99.84(17) . .
C4 C5 C6 C14 -169.5(3) . .
Mn3 C5 C6 C14 -115.0(3) . .
C4 C5 C6 P1 26.0(4) . .
Mn3 C5 C6 P1 80.5(2) . .
C4 C5 C6 Mn3 -54.5(3) . .
C2 P1 C6 C5 -44.0(3) . .
Mn1 P1 C6 C5 168.1(2) . .
Mn2 P1 C6 C5 78.2(3) . .
Mn3 P1 C6 C5 -65.8(2) . .
C2 P1 C6 C14 151.9(3) . .
Mn1 P1 C6 C14 4.0(3) . .
Mn2 P1 C6 C14 -85.8(3) . .
Mn3 P1 C6 C14 130.2(3) . .
C2 P1 C6 Mn3 21.74(12) . .
Mn1 P1 C6 Mn3 -126.14(8) . .
Mn2 P1 C6 Mn3 143.97(6) . .
C37 Mn3 C6 C5 112.9(7) . .
C38 Mn3 C6 C5 -66.72(19) . .
C36 Mn3 C6 C5 -161.1(2) . .
C3 Mn3 C6 C5 65.39(17) . .
C4 Mn3 C6 C5 27.90(16) . .
C2 Mn3 C6 C5 102.59(17) . .
P1 Mn3 C6 C5 121.1(2) . .
C37 Mn3 C6 C14 -137.7(7) . .
C38 Mn3 C6 C14 42.7(3) . .
C36 Mn3 C6 C14 -51.7(3) . .
C5 Mn3 C6 C14 109.5(3) . .
C3 Mn3 C6 C14 174.9(2) . .
C4 Mn3 C6 C14 137.4(3) . .
C2 Mn3 C6 C14 -147.9(3) . .
P1 Mn3 C6 C14 -129.4(3) . .
C37 Mn3 C6 P1 -8.2(7) . .
C38 Mn3 C6 P1 172.16(13) . .
C36 Mn3 C6 P1 77.75(15) . .
C5 Mn3 C6 P1 -121.1(2) . .
C3 Mn3 C6 P1 -55.73(12) . .
C4 Mn3 C6 P1 -93.21(13) . .
C2 Mn3 C6 P1 -18.53(11) . .
C5 C4 C7 C12 51.6(4) . .
C3 C4 C7 C12 -132.2(3) . .
Mn3 C4 C7 C12 138.5(3) . .
C5 C4 C7 C8 -128.8(3) . .
C3 C4 C7 C8 47.4(4) . .
Mn3 C4 C7 C8 -41.9(4) . .
C12 C7 C8 C9 -0.8(5) . .
C4 C7 C8 C9 179.6(3) . .
C7 C8 C9 C10 0.6(6) . .
C8 C9 C10 C11 -0.7(6) . .
C9 C10 C11 C12 1.1(7) . .
C8 C7 C12 C11 1.2(5) . .
C4 C7 C12 C11 -179.2(3) . .
C10 C11 C12 C7 -1.4(6) . .
C30 Mn1 P15 C20 66.32(16) . .
C29 Mn1 P15 C20 -16.34(14) . .
C31 Mn1 P15 C20 147.69(14) . .
P1 Mn1 P15 C20 -113.06(11) . .
Mn2 Mn1 P15 C20 -114.00(12) . .
C30 Mn1 P15 C16 -70.41(16) . .
C29 Mn1 P15 C16 -153.06(14) . .
C31 Mn1 P15 C16 10.97(14) . .
P1 Mn1 P15 C16 110.22(11) . .
Mn2 Mn1 P15 C16 109.28(12) . .
C30 Mn1 P15 Mn2 -179.68(11) . .
C29 Mn1 P15 Mn2 97.66(8) . .
C31 Mn1 P15 Mn2 -98.31(8) . .
P1 Mn1 P15 Mn2 0.94(3) . .
C34 Mn2 P15 C20 -62.0(17) . .
C32 Mn2 P15 C20 -56.59(14) . .
C33 Mn2 P15 C20 -146.77(14) . .
C35 Mn2 P15 C20 35.66(14) . .
P1 Mn2 P15 C20 124.59(11) . .
Mn1 Mn2 P15 C20 125.37(11) . .
C34 Mn2 P15 C16 45.5(17) . .
C32 Mn2 P15 C16 50.93(13) . .
C33 Mn2 P15 C16 -39.24(14) . .
C35 Mn2 P15 C16 143.19(13) . .
P1 Mn2 P15 C16 -127.89(10) . .
Mn1 Mn2 P15 C16 -127.11(10) . .
C34 Mn2 P15 Mn1 172.6(17) . .
C32 Mn2 P15 Mn1 178.04(9) . .
C33 Mn2 P15 Mn1 87.86(10) . .
C35 Mn2 P15 Mn1 -89.70(9) . .
P1 Mn2 P15 Mn1 -0.78(3) . .
C20 P15 C16 C17 46.3(2) . .
Mn1 P15 C16 C17 -166.35(17) . .
Mn2 P15 C16 C17 -76.4(2) . .
C20 P15 C16 C27 -150.6(2) . .
Mn1 P15 C16 C27 -3.2(3) . .
Mn2 P15 C16 C27 86.7(2) . .
C20 P15 C16 Mn4 -20.21(11) . .
Mn1 P15 C16 Mn4 127.13(8) . .
Mn2 P15 C16 Mn4 -142.95(6) . .
C39 Mn4 C16 C17 68.31(19) . .
C40 Mn4 C16 C17 -101.1(8) . .
C41 Mn4 C16 C17 164.09(19) . .
C19 Mn4 C16 C17 -65.74(17) . .
C18 Mn4 C16 C17 -28.34(17) . .
C20 Mn4 C16 C17 -102.69(18) . .
C39 Mn4 C16 C27 -41.3(3) . .
C40 Mn4 C16 C27 149.3(7) . .
C41 Mn4 C16 C27 54.5(3) . .
C17 Mn4 C16 C27 -109.6(3) . .
C19 Mn4 C16 C27 -175.4(3) . .
C18 Mn4 C16 C27 -138.0(3) . .
C20 Mn4 C16 C27 147.7(3) . .
C39 Mn4 C16 P15 -171.78(13) . .
C40 Mn4 C16 P15 18.8(8) . .
C41 Mn4 C16 P15 -76.00(13) . .
C17 Mn4 C16 P15 119.9(2) . .
C19 Mn4 C16 P15 54.16(12) . .
C18 Mn4 C16 P15 91.57(12) . .
C20 Mn4 C16 P15 17.21(10) . .
C27 C16 C17 C18 168.4(3) . .
P15 C16 C17 C18 -27.8(4) . .
Mn4 C16 C17 C18 54.2(2) . .
C27 C16 C17 Mn4 114.3(3) . .
P15 C16 C17 Mn4 -82.00(17) . .
C39 Mn4 C17 C16 -114.76(19) . .
C40 Mn4 C17 C16 164.8(2) . .
C41 Mn4 C17 C16 -19.0(2) . .
C19 Mn4 C17 C16 105.65(18) . .
C18 Mn4 C17 C16 135.1(3) . .
C20 Mn4 C17 C16 69.24(17) . .
C39 Mn4 C17 C18 110.13(19) . .
C40 Mn4 C17 C18 29.7(3) . .
C41 Mn4 C17 C18 -154.10(18) . .
C19 Mn4 C17 C18 -29.47(17) . .
C20 Mn4 C17 C18 -65.87(17) . .
C16 Mn4 C17 C18 -135.1(3) . .
C16 C17 C18 C19 -3.8(4) . .
Mn4 C17 C18 C19 52.0(2) . .
C16 C17 C18 C21 178.3(3) . .
Mn4 C17 C18 C21 -126.0(2) . .
C16 C17 C18 Mn4 -55.8(3) . .
C39 Mn4 C18 C19 155.31(19) . .
C40 Mn4 C18 C19 65.8(2) . .
C41 Mn4 C18 C19 -75.9(3) . .
C17 Mn4 C18 C19 -132.2(3) . .
C20 Mn4 C18 C19 -27.29(16) . .
C16 Mn4 C18 C19 -105.04(18) . .
C39 Mn4 C18 C17 -72.5(2) . .
C40 Mn4 C18 C17 -161.96(19) . .
C41 Mn4 C18 C17 56.3(3) . .
C19 Mn4 C18 C17 132.2(3) . .
C20 Mn4 C18 C17 104.93(19) . .
C16 Mn4 C18 C17 27.19(17) . .
C39 Mn4 C18 C21 40.3(3) . .
C40 Mn4 C18 C21 -49.2(3) . .
C41 Mn4 C18 C21 169.1(3) . .
C17 Mn4 C18 C21 112.8(3) . .
C19 Mn4 C18 C21 -115.0(3) . .
C20 Mn4 C18 C21 -142.3(3) . .
C16 Mn4 C18 C21 140.0(3) . .
C17 C18 C19 C20 3.3(4) . .
C21 C18 C19 C20 -178.8(3) . .
Mn4 C18 C19 C20 55.1(3) . .
C17 C18 C19 Mn4 -51.8(2) . .
C21 C18 C19 Mn4 126.1(3) . .
C39 Mn4 C19 C20 -170.38(19) . .
C40 Mn4 C19 C20 105.38(18) . .
C41 Mn4 C19 C20 11.1(2) . .
C17 Mn4 C19 C20 -105.47(18) . .
C18 Mn4 C19 C20 -135.3(2) . .
C16 Mn4 C19 C20 -69.34(16) . .
C39 Mn4 C19 C18 -35.1(2) . .
C40 Mn4 C19 C18 -119.32(19) . .
C41 Mn4 C19 C18 146.41(18) . .
C17 Mn4 C19 C18 29.84(17) . .
C20 Mn4 C19 C18 135.3(2) . .
C16 Mn4 C19 C18 65.96(17) . .
C18 C19 C20 C28 -168.9(3) . .
Mn4 C19 C20 C28 -115.0(3) . .
C18 C19 C20 P15 28.9(4) . .
Mn4 C19 C20 P15 82.77(18) . .
C18 C19 C20 Mn4 -53.9(2) . .
C16 P15 C20 C19 -46.9(2) . .
Mn1 P15 C20 C19 164.94(18) . .
Mn2 P15 C20 C19 72.8(2) . .
C16 P15 C20 C28 151.6(2) . .
Mn1 P15 C20 C28 3.4(3) . .
Mn2 P15 C20 C28 -88.7(2) . .
C16 P15 C20 Mn4 20.33(12) . .
Mn1 P15 C20 Mn4 -127.83(8) . .
Mn2 P15 C20 Mn4 140.05(6) . .
C39 Mn4 C20 C19 42.6(8) . .
C40 Mn4 C20 C19 -77.21(18) . .
C41 Mn4 C20 C19 -171.43(17) . .
C17 Mn4 C20 C19 65.85(17) . .
C18 Mn4 C20 C19 27.93(16) . .
C16 Mn4 C20 C19 102.53(17) . .
C39 Mn4 C20 C28 151.9(7) . .
C40 Mn4 C20 C28 32.0(3) . .
C41 Mn4 C20 C28 -62.2(2) . .
C17 Mn4 C20 C28 175.1(2) . .
C19 Mn4 C20 C28 109.3(3) . .
C18 Mn4 C20 C28 137.2(2) . .
C16 Mn4 C20 C28 -148.2(2) . .
C39 Mn4 C20 P15 -77.2(8) . .
C40 Mn4 C20 P15 163.01(13) . .
C41 Mn4 C20 P15 68.79(13) . .
C17 Mn4 C20 P15 -53.93(12) . .
C19 Mn4 C20 P15 -119.78(19) . .
C18 Mn4 C20 P15 -91.85(12) . .
C16 Mn4 C20 P15 -17.25(10) . .
C19 C18 C21 C26 -35.0(4) . .
C17 C18 C21 C26 142.9(3) . .
Mn4 C18 C21 C26 54.8(4) . .
C19 C18 C21 C22 143.6(3) . .
C17 C18 C21 C22 -38.5(4) . .
Mn4 C18 C21 C22 -126.6(3) . .
C26 C21 C22 C23 -1.7(5) . .
C18 C21 C22 C23 179.6(3) . .
C21 C22 C23 C24 0.2(5) . .
C22 C23 C24 C25 1.9(6) . .
C23 C24 C25 C26 -2.6(6) . .
C24 C25 C26 C21 1.2(6) . .
C22 C21 C26 C25 1.0(5) . .
C18 C21 C26 C25 179.7(3) . .
C30 Mn1 C29 O29 0.8(19) . .
C31 Mn1 C29 O29 -2(2) . .
P15 Mn1 C29 O29 122.1(19) . .
P1 Mn1 C29 O29 -123.4(19) . .
Mn2 Mn1 C29 O29 179(100) . .
C29 Mn1 C30 O30 114(18) . .
C31 Mn1 C30 O30 -67(18) . .
P15 Mn1 C30 O30 23(19) . .
P1 Mn1 C30 O30 -157(18) . .
Mn2 Mn1 C30 O30 13(21) . .
C30 Mn1 C31 O31 2.9(16) . .
C29 Mn1 C31 O31 5.6(18) . .
P15 Mn1 C31 O31 -118.2(16) . .
P1 Mn1 C31 O31 126.9(16) . .
Mn2 Mn1 C31 O31 -175.6(16) . .
C34 Mn2 C32 O32 25(4) . .
C33 Mn2 C32 O32 -65(4) . .
C35 Mn2 C32 O32 118(4) . .
P15 Mn2 C32 O32 -154(4) . .
P1 Mn2 C32 O32 8(5) . .
Mn1 Mn2 C32 O32 -152(4) . .
C34 Mn2 C33 O33 -50(6) . .
C32 Mn2 C33 O33 40(6) . .
C35 Mn2 C33 O33 167(5) . .
P15 Mn2 C33 O33 127(6) . .
P1 Mn2 C33 O33 -136(6) . .
Mn1 Mn2 C33 O33 175(100) . .
C32 Mn2 C34 O34 -15(4) . .
C33 Mn2 C34 O34 76(4) . .
C35 Mn2 C34 O34 -107(4) . .
P15 Mn2 C34 O34 -9(5) . .
P1 Mn2 C34 O34 164(4) . .
Mn1 Mn2 C34 O34 163(3) . .
C34 Mn2 C35 O35 78(37) . .
C32 Mn2 C35 O35 -12(37) . .
C33 Mn2 C35 O35 -139(36) . .
P15 Mn2 C35 O35 -99(37) . .
P1 Mn2 C35 O35 164(100) . .
Mn1 Mn2 C35 O35 -148(100) . .
C37 Mn3 C36 O36 -144(11) . .
C38 Mn3 C36 O36 -56(11) . .
C5 Mn3 C36 O36 34(11) . .
C3 Mn3 C36 O36 125(11) . .
C4 Mn3 C36 O36 67(11) . .
C2 Mn3 C36 O36 119(11) . .
C6 Mn3 C36 O36 47(11) . .
P1 Mn3 C36 O36 85(11) . .
C38 Mn3 C37 O37 -128(48) . .
C36 Mn3 C37 O37 -33(48) . .
C5 Mn3 C37 O37 150(48) . .
C3 Mn3 C37 O37 99(48) . .
C4 Mn3 C37 O37 133(48) . .
C2 Mn3 C37 O37 62(48) . .
C6 Mn3 C37 O37 52(48) . .
P1 Mn3 C37 O37 46(48) . .
C37 Mn3 C38 O38 -51(6) . .
C36 Mn3 C38 O38 -143(6) . .
C5 Mn3 C38 O38 95(6) . .
C3 Mn3 C38 O38 36(6) . .
C4 Mn3 C38 O38 58(6) . .
C2 Mn3 C38 O38 63(7) . .
C6 Mn3 C38 O38 129(6) . .
P1 Mn3 C38 O38 137(6) . .
C40 Mn4 C39 O39 70(5) . .
C41 Mn4 C39 O39 163(5) . .
C17 Mn4 C39 O39 -74(5) . .
C19 Mn4 C39 O39 -16(5) . .
C18 Mn4 C39 O39 -37(5) . .
C20 Mn4 C39 O39 -51(5) . .
C16 Mn4 C39 O39 -109(5) . .
C39 Mn4 C40 O40 -16(5) . .
C41 Mn4 C40 O40 -112(5) . .
C17 Mn4 C40 O40 65(6) . .
C19 Mn4 C40 O40 119(5) . .
C18 Mn4 C40 O40 84(5) . .
C20 Mn4 C40 O40 156(5) . .
C16 Mn4 C40 O40 154(5) . .
C39 Mn4 C41 O41 112(8) . .
C40 Mn4 C41 O41 -161(8) . .
C17 Mn4 C41 O41 21(8) . .
C19 Mn4 C41 O41 -69(8) . .
C18 Mn4 C41 O41 -18(8) . .
C20 Mn4 C41 O41 -62(8) . .
C16 Mn4 C41 O41 10(8) . .
C907 C901 C902 C903 -172.5(5) . .
C903 C901 C902 C903 0.6(12) 2_655 .
C901 C902 C903 C901 -0.6(11) . 2_655
