#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:45:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178722 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/33/4083377.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_4083377
loop_
_publ_author_name
'Reyes-Lezama, Marisol'
'Höpfl, Herbert'
'Zúñiga-Villarreal, Noé'
_publ_section_title
;
 Tricarbonyl[(1−5-η)-pentadienyl]manganese: A Source of
 Benzeneselenolatomanganese Derivatives of Diverse Nuclearity
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1537
_journal_paper_doi               10.1021/om1000698
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C53 H40 Mn2 O5 P2 Se2'
_chemical_formula_sum            'C53 H40 Mn2 O5 P2 Se2'
_chemical_formula_weight         1086.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.9168(13)
_cell_length_b                   22.3973(15)
_cell_length_c                   10.2833(7)
_cell_measurement_reflns_used    9291
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.20
_cell_measurement_theta_min      2.18
_cell_volume                     4587.2(5)
_computing_cell_refinement       'Bruker SAINT'
_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      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0421
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            41912
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    2.256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             2184
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.642
_refine_diff_density_min         -0.273
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4157
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0343P)²+3.7189P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                3822
_reflns_number_total             4157
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            todoSe.cif
_cod_data_source_block           zundosx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/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_sg_symbol_H-M      Pnma
_cod_database_code               4083377
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -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
Mn1 Mn 0.841200(16) 0.689832(14) 0.79789(3) 0.01319(9) Uani 1 1 d .
Se1 Se 0.936902(15) 0.7500 0.73189(3) 0.01353(9) Uani 1 2 d S
Se2 Se 0.863912(15) 0.7500 0.99145(3) 0.01358(9) Uani 1 2 d S
P1 P 0.90254(3) 0.60680(2) 0.87007(5) 0.01406(13) Uani 1 1 d .
O1 O 0.72358(11) 0.7500 0.6739(2) 0.0215(5) Uani 1 2 d S
O2 O 0.72144(8) 0.62580(7) 0.89213(16) 0.0248(4) Uani 1 1 d .
O3 O 0.81281(9) 0.64085(8) 0.53867(16) 0.0265(4) Uani 1 1 d .
C1 C 0.77439(16) 0.7500 0.7288(3) 0.0168(7) Uani 1 2 d S
C2 C 0.76841(11) 0.65190(10) 0.8604(2) 0.0173(5) Uani 1 1 d .
C3 C 0.82728(11) 0.65882(10) 0.6400(2) 0.0179(5) Uani 1 1 d .
C4 C 0.95066(15) 0.7500 0.5456(3) 0.0158(6) Uani 1 2 d S
C5 C 0.95964(11) 0.69644(10) 0.4800(2) 0.0183(5) Uani 1 1 d .
H5 H 0.9538 0.6596 0.5244 0.022 Uiso 1 1 calc R
C6 C 0.97717(11) 0.69672(10) 0.3494(2) 0.0208(5) Uani 1 1 d .
H6 H 0.9835 0.6600 0.3048 0.025 Uiso 1 1 calc R
C7 C 0.98548(16) 0.7500 0.2838(3) 0.0212(7) Uani 1 2 d S
H7 H 0.9969 0.7500 0.1940 0.025 Uiso 1 2 calc SR
C8 C 0.78458(16) 0.7500 1.1012(3) 0.0172(7) Uani 1 2 d S
C9 C 0.79483(17) 0.7500 1.2340(3) 0.0193(7) Uani 1 2 d S
H9 H 0.8392 0.7500 1.2679 0.023 Uiso 1 2 calc SR
C10 C 0.74012(18) 0.7500 1.3180(3) 0.0244(8) Uani 1 2 d S
H10 H 0.7470 0.7500 1.4095 0.029 Uiso 1 2 calc SR
C11 C 0.67561(18) 0.7500 1.2678(3) 0.0253(8) Uani 1 2 d S
H11 H 0.6382 0.7500 1.3252 0.030 Uiso 1 2 calc SR
C12 C 0.66518(17) 0.7500 1.1351(3) 0.0233(7) Uani 1 2 d S
H12 H 0.6208 0.7500 1.1012 0.028 Uiso 1 2 calc SR
C13 C 0.71982(16) 0.7500 1.0515(3) 0.0198(7) Uani 1 2 d S
H13 H 0.7129 0.7500 0.9601 0.024 Uiso 1 2 calc SR
C14 C 0.86983(11) 0.57131(10) 1.0181(2) 0.0163(5) Uani 1 1 d .
C15 C 0.85586(13) 0.60612(11) 1.1258(2) 0.0277(6) Uani 1 1 d .
H15 H 0.8617 0.6481 1.1204 0.033 Uiso 1 1 calc R
C16 C 0.83354(14) 0.58140(12) 1.2412(2) 0.0289(6) Uani 1 1 d .
H16 H 0.8247 0.6063 1.3141 0.035 Uiso 1 1 calc R
C17 C 0.82430(13) 0.52088(11) 1.2500(2) 0.0261(6) Uani 1 1 d .
H17 H 0.8094 0.5035 1.3292 0.031 Uiso 1 1 calc R
C18 C 0.83677(14) 0.48551(12) 1.1433(3) 0.0321(6) Uani 1 1 d .
H18 H 0.8294 0.4437 1.1488 0.038 Uiso 1 1 calc R
C19 C 0.85995(12) 0.51002(11) 1.0281(2) 0.0256(6) Uani 1 1 d .
H19 H 0.8691 0.4849 0.9558 0.031 Uiso 1 1 calc R
C20 C 0.99021(11) 0.62223(9) 0.9119(2) 0.0160(5) Uani 1 1 d .
C21 C 1.01447(12) 0.61728(10) 1.0382(2) 0.0199(5) Uani 1 1 d .
H21 H 0.9863 0.6018 1.1047 0.024 Uiso 1 1 calc R
C22 C 1.07960(12) 0.63476(11) 1.0679(2) 0.0237(5) Uani 1 1 d .
H22 H 1.0957 0.6312 1.1546 0.028 Uiso 1 1 calc R
C23 C 1.12095(12) 0.65724(11) 0.9722(2) 0.0244(5) Uani 1 1 d .
H23 H 1.1651 0.6701 0.9932 0.029 Uiso 1 1 calc R
C24 C 1.09796(12) 0.66104(10) 0.8456(2) 0.0226(5) Uani 1 1 d .
H24 H 1.1267 0.6757 0.7791 0.027 Uiso 1 1 calc R
C25 C 1.03353(11) 0.64361(10) 0.8157(2) 0.0190(5) Uani 1 1 d .
H25 H 1.0183 0.6462 0.7284 0.023 Uiso 1 1 calc R
C26 C 0.90800(12) 0.54405(10) 0.7565(2) 0.0181(5) Uani 1 1 d .
C27 C 0.96832(12) 0.51597(10) 0.7253(2) 0.0215(5) Uani 1 1 d .
H27 H 1.0092 0.5297 0.7623 0.026 Uiso 1 1 calc R
C28 C 0.96863(13) 0.46769(11) 0.6399(2) 0.0267(6) Uani 1 1 d .
H28 H 1.0100 0.4494 0.6170 0.032 Uiso 1 1 calc R
C29 C 0.90936(14) 0.44621(11) 0.5880(2) 0.0285(6) Uani 1 1 d .
H29 H 0.9099 0.4130 0.5306 0.034 Uiso 1 1 calc R
C30 C 0.84936(13) 0.47325(11) 0.6199(2) 0.0281(6) Uani 1 1 d .
H30 H 0.8085 0.4582 0.5854 0.034 Uiso 1 1 calc R
C31 C 0.84853(12) 0.52231(10) 0.7021(2) 0.0229(5) Uani 1 1 d .
H31 H 0.8071 0.5413 0.7218 0.027 Uiso 1 1 calc R
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'
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'
Se Se -0.0929 2.2259 '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
C3 Mn1 C2 90.93(10) . .
C3 Mn1 C1 80.66(10) . .
C2 Mn1 C1 84.84(10) . .
C3 Mn1 P1 93.45(7) . .
C2 Mn1 P1 86.11(7) . .
C1 Mn1 P1 169.11(7) . .
C3 Mn1 Se1 94.78(7) . .
C2 Mn1 Se1 173.38(7) . .
C1 Mn1 Se1 92.77(7) . .
P1 Mn1 Se1 96.861(19) . .
C3 Mn1 Se2 169.08(7) . .
C2 Mn1 Se2 96.80(7) . .
C1 Mn1 Se2 92.32(7) . .
P1 Mn1 Se2 94.758(18) . .
Se1 Mn1 Se2 77.101(13) . .
C3 Mn1 Mn1 112.86(7) . 7_575
C2 Mn1 Mn1 118.18(7) . 7_575
C1 Mn1 Mn1 48.22(6) . 7_575
P1 Mn1 Mn1 142.451(16) . 7_575
Se1 Mn1 Mn1 56.335(9) . 7_575
Se2 Mn1 Mn1 56.568(9) . 7_575
C4 Se1 Mn1 112.79(7) . 7_575
C4 Se1 Mn1 112.79(7) . .
Mn1 Se1 Mn1 67.331(18) 7_575 .
C8 Se2 Mn1 108.80(8) . .
C8 Se2 Mn1 108.80(8) . 7_575
Mn1 Se2 Mn1 66.864(17) . 7_575
C26 P1 C20 103.79(10) . .
C26 P1 C14 102.57(10) . .
C20 P1 C14 103.01(10) . .
C26 P1 Mn1 115.95(7) . .
C20 P1 Mn1 114.92(7) . .
C14 P1 Mn1 114.87(7) . .
O1 C1 Mn1 138.21(6) . .
O1 C1 Mn1 138.21(6) . 7_575
Mn1 C1 Mn1 83.55(13) . 7_575
O2 C2 Mn1 175.3(2) . .
O3 C3 Mn1 174.1(2) . .
C5 C4 C5 119.6(3) . 7_575
C5 C4 Se1 119.98(14) . .
C5 C4 Se1 119.98(14) 7_575 .
C6 C5 C4 119.9(2) . .
C7 C6 C5 120.5(2) . .
C6 C7 C6 119.6(3) . 7_575
C9 C8 C13 120.1(3) . .
C9 C8 Se2 117.0(2) . .
C13 C8 Se2 122.9(2) . .
C8 C9 C10 119.9(3) . .
C11 C10 C9 119.7(3) . .
C12 C11 C10 120.5(3) . .
C11 C12 C13 119.6(3) . .
C12 C13 C8 120.1(3) . .
C15 C14 C19 117.9(2) . .
C15 C14 P1 119.43(17) . .
C19 C14 P1 122.61(18) . .
C16 C15 C14 121.8(2) . .
C17 C16 C15 119.7(2) . .
C16 C17 C18 119.5(2) . .
C17 C18 C19 120.9(2) . .
C18 C19 C14 120.1(2) . .
C21 C20 C25 118.3(2) . .
C21 C20 P1 122.40(17) . .
C25 C20 P1 119.14(17) . .
C22 C21 C20 120.5(2) . .
C23 C22 C21 120.3(2) . .
C22 C23 C24 119.8(2) . .
C25 C24 C23 120.1(2) . .
C24 C25 C20 121.0(2) . .
C27 C26 C31 118.8(2) . .
C27 C26 P1 122.98(18) . .
C31 C26 P1 118.19(18) . .
C28 C27 C26 119.9(2) . .
C29 C28 C27 120.7(2) . .
C30 C29 C28 119.7(2) . .
C29 C30 C31 120.2(2) . .
C30 C31 C26 120.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 C3 1.788(2) .
Mn1 C2 1.799(2) .
Mn1 C1 2.023(3) .
Mn1 P1 2.3457(6) .
Mn1 Se1 2.4310(4) .
Mn1 Se2 2.4460(4) .
Mn1 Mn1 2.6952(7) 7_575
Se1 C4 1.935(3) .
Se1 Mn1 2.4310(4) 7_575
Se2 C8 1.941(3) .
Se2 Mn1 2.4460(4) 7_575
P1 C26 1.831(2) .
P1 C20 1.831(2) .
P1 C14 1.837(2) .
O1 C1 1.159(4) .
O2 C2 1.150(3) .
O3 C3 1.153(3) .
C1 Mn1 2.023(2) 7_575
C4 C5 1.388(3) .
C4 C5 1.388(3) 7_575
C5 C6 1.388(3) .
C6 C7 1.381(3) .
C7 C6 1.381(3) 7_575
C8 C9 1.381(4) .
C8 C13 1.387(5) .
C9 C10 1.391(5) .
C10 C11 1.385(5) .
C11 C12 1.381(5) .
C12 C13 1.387(5) .
C14 C15 1.383(3) .
C14 C19 1.391(3) .
C15 C16 1.383(3) .
C16 C17 1.371(4) .
C17 C18 1.376(4) .
C18 C19 1.385(4) .
C20 C21 1.390(3) .
C20 C25 1.397(3) .
C21 C22 1.389(3) .
C22 C23 1.379(3) .
C23 C24 1.383(3) .
C24 C25 1.376(3) .
C26 C27 1.394(3) .
C26 C31 1.397(3) .
C27 C28 1.393(3) .
C28 C29 1.382(4) .
C29 C30 1.379(4) .
C30 C31 1.387(3) .
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
C3 Mn1 Se1 C4 8.12(9) . .
C1 Mn1 Se1 C4 -72.73(10) . .
P1 Mn1 Se1 C4 102.19(6) . .
Se2 Mn1 Se1 C4 -164.48(6) . .
Mn1 Mn1 Se1 C4 -106.25(6) 7_575 .
C3 Mn1 Se1 Mn1 114.37(7) . 7_575
C1 Mn1 Se1 Mn1 33.52(8) . 7_575
P1 Mn1 Se1 Mn1 -151.560(15) . 7_575
Se2 Mn1 Se1 Mn1 -58.226(11) . 7_575
C3 Mn1 Se2 C8 118.3(4) . .
C2 Mn1 Se2 C8 -16.43(9) . .
C1 Mn1 Se2 C8 68.65(10) . .
P1 Mn1 Se2 C8 -103.07(6) . .
Se1 Mn1 Se2 C8 160.97(6) . .
Mn1 Mn1 Se2 C8 102.99(6) 7_575 .
C3 Mn1 Se2 Mn1 15.3(4) . 7_575
C2 Mn1 Se2 Mn1 -119.42(7) . 7_575
C1 Mn1 Se2 Mn1 -34.34(8) . 7_575
P1 Mn1 Se2 Mn1 153.943(15) . 7_575
Se1 Mn1 Se2 Mn1 57.978(12) . 7_575
C3 Mn1 P1 C26 -4.34(11) . .
C2 Mn1 P1 C26 86.36(11) . .
C1 Mn1 P1 C26 52.5(5) . .
Se1 Mn1 P1 C26 -99.58(8) . .
Se2 Mn1 P1 C26 -177.13(8) . .
Mn1 Mn1 P1 C26 -140.15(8) 7_575 .
C3 Mn1 P1 C20 116.88(11) . .
C2 Mn1 P1 C20 -152.42(11) . .
C1 Mn1 P1 C20 173.7(5) . .
Se1 Mn1 P1 C20 21.64(8) . .
Se2 Mn1 P1 C20 -55.91(8) . .
Mn1 Mn1 P1 C20 -18.93(9) 7_575 .
C3 Mn1 P1 C14 -123.84(11) . .
C2 Mn1 P1 C14 -33.15(11) . .
C1 Mn1 P1 C14 -67.0(5) . .
Se1 Mn1 P1 C14 140.92(8) . .
Se2 Mn1 P1 C14 63.37(8) . .
Mn1 Mn1 P1 C14 100.35(8) 7_575 .
C3 Mn1 C1 O1 46.0(4) . .
C2 Mn1 C1 O1 -45.8(4) . .
P1 Mn1 C1 O1 -11.9(8) . .
Se1 Mn1 C1 O1 140.4(4) . .
Se2 Mn1 C1 O1 -142.4(4) . .
Mn1 Mn1 C1 O1 178.4(4) 7_575 .
C3 Mn1 C1 Mn1 -132.44(11) . 7_575
C2 Mn1 C1 Mn1 135.76(11) . 7_575
P1 Mn1 C1 Mn1 169.7(4) . 7_575
Se1 Mn1 C1 Mn1 -38.05(8) . 7_575
Se2 Mn1 C1 Mn1 39.14(8) . 7_575
Mn1 Se1 C4 C5 -130.8(2) 7_575 .
Mn1 Se1 C4 C5 -56.9(2) . .
Mn1 Se1 C4 C5 56.9(2) 7_575 7_575
Mn1 Se1 C4 C5 130.8(2) . 7_575
C5 C4 C5 C6 -0.3(4) 7_575 .
Se1 C4 C5 C6 -172.57(18) . .
C4 C5 C6 C7 -0.3(4) . .
C5 C6 C7 C6 0.9(5) . 7_575
Mn1 Se2 C8 C9 144.41(2) . .
Mn1 Se2 C8 C9 -144.41(2) 7_575 .
Mn1 Se2 C8 C13 -35.59(2) . .
Mn1 Se2 C8 C13 35.59(2) 7_575 .
C13 C8 C9 C10 0.000(1) . .
Se2 C8 C9 C10 180.0 . .
C8 C9 C10 C11 0.000(1) . .
C9 C10 C11 C12 0.000(1) . .
C10 C11 C12 C13 0.000(1) . .
C11 C12 C13 C8 0.000(1) . .
C9 C8 C13 C12 0.000(1) . .
Se2 C8 C13 C12 180.0 . .
C26 P1 C14 C15 -176.98(19) . .
C20 P1 C14 C15 75.4(2) . .
Mn1 P1 C14 C15 -50.3(2) . .
C26 P1 C14 C19 4.7(2) . .
C20 P1 C14 C19 -102.8(2) . .
Mn1 P1 C14 C19 131.44(18) . .
C19 C14 C15 C16 0.8(4) . .
P1 C14 C15 C16 -177.5(2) . .
C14 C15 C16 C17 -0.5(4) . .
C15 C16 C17 C18 -0.6(4) . .
C16 C17 C18 C19 1.5(4) . .
C17 C18 C19 C14 -1.2(4) . .
C15 C14 C19 C18 0.0(4) . .
P1 C14 C19 C18 178.3(2) . .
C26 P1 C20 C21 -118.13(19) . .
C14 P1 C20 C21 -11.5(2) . .
Mn1 P1 C20 C21 114.22(18) . .
C26 P1 C20 C25 66.26(19) . .
C14 P1 C20 C25 172.93(17) . .
Mn1 P1 C20 C25 -61.38(18) . .
C25 C20 C21 C22 1.7(3) . .
P1 C20 C21 C22 -173.92(17) . .
C20 C21 C22 C23 0.0(4) . .
C21 C22 C23 C24 -1.5(4) . .
C22 C23 C24 C25 1.4(4) . .
C23 C24 C25 C20 0.4(3) . .
C21 C20 C25 C24 -1.9(3) . .
P1 C20 C25 C24 173.88(17) . .
C20 P1 C26 C27 4.1(2) . .
C14 P1 C26 C27 -102.9(2) . .
Mn1 P1 C26 C27 131.11(17) . .
C20 P1 C26 C31 -178.04(18) . .
C14 P1 C26 C31 75.0(2) . .
Mn1 P1 C26 C31 -51.0(2) . .
C31 C26 C27 C28 0.9(3) . .
P1 C26 C27 C28 178.78(17) . .
C26 C27 C28 C29 -1.7(4) . .
C27 C28 C29 C30 0.8(4) . .
C28 C29 C30 C31 0.9(4) . .
C29 C30 C31 C26 -1.7(4) . .
C27 C26 C31 C30 0.7(3) . .
P1 C26 C31 C30 -177.21(18) . .
