#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:36:42 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179486 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/83/4338351.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_4338351
loop_
_publ_author_name
'Shankar, Bhaskaran'
'Elumalai, Palani'
'Shanmugam, Ramasamy'
'Singh, Virender'
'Masram, Dhanraj T.'
'Sathiyendiran, Malaichamy'
_publ_section_title
;
 New class of phosphine oxide donor-based supramolecular coordination
 complexes from an in situ phosphine oxidation reaction or phosphine oxide
 ligands.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10217
_journal_page_last               10219
_journal_paper_doi               10.1021/ic401257w
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C42 H34 Cl4 O32 P4 Re4'
_chemical_formula_sum            'C42 H34 Cl4 O32 P4 Re4'
_chemical_formula_weight         2061.17
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.129(3)
_cell_angle_beta                 107.872(4)
_cell_angle_gamma                99.948(3)
_cell_formula_units_Z            1
_cell_length_a                   10.0213(4)
_cell_length_b                   12.6007(4)
_cell_length_c                   12.9155(5)
_cell_measurement_reflns_used    7971
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.91
_cell_volume                     1489.39(11)
_computing_cell_refinement       'CrysAlis RED (Oxford, 2011)'
_computing_data_collection       'CrysAlis RED (Oxford, 2011)'
_computing_data_reduction        'CrysAlis RED (Oxford, 2011)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9853
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'w 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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20856
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    8.480
_exptl_absorpt_correction_T_max  0.2957
_exptl_absorpt_correction_T_min  0.1663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark violet'
_exptl_crystal_density_diffrn    2.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             970
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.903
_refine_diff_density_min         -1.413
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         6091
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0240P)²+6.0418P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                5456
_reflns_number_total             6091
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic401257w_si_002.cif
_cod_data_source_block           bs4-043
_cod_original_cell_volume        1489.39(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4338351
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
Re1 Re 0.43248(2) 0.20800(2) 0.25737(2) 0.04776(8) Uani 1 1 d .
Re2 Re 0.87626(3) 0.777509(19) 0.195437(19) 0.04618(8) Uani 1 1 d .
C1 C 0.4046(7) 0.1483(6) 0.3766(6) 0.0619(17) Uani 1 1 d .
C2 C 0.3988(8) 0.0605(6) 0.1778(6) 0.071(2) Uani 1 1 d .
C3 C 0.2323(9) 0.1936(10) 0.2022(9) 0.111(4) Uani 1 1 d .
C4 C 0.7369(8) 0.8500(5) 0.1225(5) 0.0637(18) Uani 1 1 d .
C5 C 0.9844(9) 0.8178(7) 0.1065(6) 0.078(2) Uani 1 1 d .
C6 C 0.9813(8) 0.9133(6) 0.2968(6) 0.0639(18) Uani 1 1 d .
C7 C 0.5546(6) 0.4440(5) 0.2786(4) 0.0393(12) Uani 1 1 d .
C8 C 0.5568(5) 0.3851(5) 0.1670(4) 0.0379(11) Uani 1 1 d .
C9 C 0.6248(6) 0.4430(4) 0.1070(4) 0.0380(11) Uani 1 1 d .
C10 C 0.6935(6) 0.5533(4) 0.1497(4) 0.0372(11) Uani 1 1 d .
C11 C 0.6901(6) 0.6125(4) 0.2610(4) 0.0390(12) Uani 1 1 d .
C12 C 0.6171(6) 0.5556(5) 0.3182(4) 0.0404(12) Uani 1 1 d .
C13 C 0.7038(9) 0.0061(6) 0.3835(7) 0.075(2) Uani 1 1 d .
H13A H 0.7608 0.0362 0.4608 0.112 Uiso 1 1 calc R
H13B H 0.7054 -0.0704 0.3640 0.112 Uiso 1 1 calc R
H13C H 0.6062 0.0121 0.3710 0.112 Uiso 1 1 calc R
C14 C 0.7733(8) 0.1687(6) 0.1214(5) 0.0643(18) Uani 1 1 d .
H14A H 0.7939 0.0980 0.1024 0.096 Uiso 1 1 calc R
H14B H 0.8033 0.2164 0.0776 0.096 Uiso 1 1 calc R
H14C H 0.6716 0.1594 0.1065 0.096 Uiso 1 1 calc R
C15 C 0.9362(6) 0.2593(4) 0.4592(4) 0.0377(11) Uani 1 1 d .
H15A H 0.9134 0.2350 0.5207 0.045 Uiso 1 1 calc R
H15B H 1.0226 0.2363 0.4559 0.045 Uiso 1 1 calc R
C16 C 0.9658(5) 0.3842(4) 0.4815(4) 0.0314(10) Uani 1 1 d .
C17 C 0.8956(5) 0.4462(4) 0.5386(4) 0.0309(10) Uani 1 1 d .
C18 C 0.7846(5) 0.3954(5) 0.5839(4) 0.0398(12) Uani 1 1 d .
H18A H 0.7298 0.3244 0.5349 0.048 Uiso 1 1 calc R
H18B H 0.7181 0.4428 0.5852 0.048 Uiso 1 1 calc R
C19 C 1.0669(5) 0.4392(4) 0.4435(4) 0.0328(10) Uani 1 1 d .
H19 H 1.1116 0.3978 0.4044 0.039 Uiso 1 1 calc R
C21 C 1.3394(10) 0.7845(7) 0.2804(8) 0.097(3) Uani 1 1 d .
H21A H 1.3302 0.8130 0.3507 0.146 Uiso 1 1 calc R
H21B H 1.3075 0.8302 0.2295 0.146 Uiso 1 1 calc R
H21C H 1.4386 0.7845 0.2913 0.146 Uiso 1 1 calc R
O1 O 0.3922(7) 0.1094(5) 0.4492(5) 0.0901(18) Uani 1 1 d .
O2 O 0.3790(8) -0.0292(5) 0.1283(5) 0.108(2) Uani 1 1 d .
O3 O 0.1102(7) 0.1826(11) 0.1742(9) 0.205(6) Uani 1 1 d .
O4 O 0.6533(8) 0.8942(4) 0.0778(5) 0.104(2) Uani 1 1 d .
O5 O 1.0540(9) 0.8437(7) 0.0538(6) 0.140(3) Uani 1 1 d .
O6 O 1.0465(7) 0.9960(5) 0.3593(5) 0.0964(19) Uani 1 1 d .
O7 O 0.4903(4) 0.3838(3) 0.3273(3) 0.0502(10) Uani 1 1 d .
O8 O 0.4918(4) 0.2842(3) 0.1355(3) 0.0464(9) Uani 1 1 d .
O9 O 0.7585(4) 0.6127(3) 0.1019(3) 0.0427(9) Uani 1 1 d .
O10 O 0.7563(4) 0.7132(3) 0.2937(3) 0.0485(9) Uani 1 1 d .
O11 O 0.6626(4) 0.2382(3) 0.3299(3) 0.0462(9) Uani 1 1 d .
O12 O 0.8506(5) 0.2175(4) 0.2387(4) 0.0618(12) Uani 1 1 d .
O13 O 0.7627(5) 0.0665(3) 0.3152(4) 0.0565(11) Uani 1 1 d .
O14 O 1.0220(5) 0.6841(4) 0.2782(4) 0.0595(11) Uani 1 1 d .
O15 O 1.2540(6) 0.6753(4) 0.2359(4) 0.0701(13) Uani 1 1 d .
O16 O 1.0708(7) 0.5078(4) 0.1991(4) 0.0863(18) Uani 1 1 d .
P1 P 0.79041(15) 0.19386(11) 0.33165(11) 0.0364(3) Uani 1 1 d .
P2 P 1.13411(17) 0.62316(12) 0.27870(12) 0.0439(3) Uani 1 1 d .
Cl1 Cl 0.62433(17) 0.37734(12) -0.02083(11) 0.0491(3) Uani 1 1 d .
Cl2 Cl 0.60632(17) 0.62338(14) 0.44192(12) 0.0561(4) Uani 1 1 d .
C20A C 1.140(2) 0.4353(13) 0.1643(16) 0.086(5) Uani 0.49 1 d P
C20B C 1.053(3) 0.4684(19) 0.0925(15) 0.109(7) Uani 0.51 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'
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'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 Re1 C1 87.2(3) . .
C3 Re1 C2 87.7(5) . .
C1 Re1 C2 87.1(3) . .
C3 Re1 O11 174.9(4) . .
C1 Re1 O11 92.3(2) . .
C2 Re1 O11 97.4(3) . .
C3 Re1 O8 99.6(3) . .
C1 Re1 O8 172.8(2) . .
C2 Re1 O8 95.7(2) . .
O11 Re1 O8 80.80(15) . .
C3 Re1 O7 96.6(4) . .
C1 Re1 O7 102.5(2) . .
C2 Re1 O7 169.6(2) . .
O11 Re1 O7 78.58(15) . .
O8 Re1 O7 74.26(15) . .
C5 Re2 C6 86.2(3) . .
C5 Re2 C4 89.2(4) . .
C6 Re2 C4 89.4(3) . .
C5 Re2 O10 173.7(3) . .
C6 Re2 O10 98.3(2) . .
C4 Re2 O10 95.2(3) . .
C5 Re2 O9 100.7(3) . .
C6 Re2 O9 171.3(2) . .
C4 Re2 O9 95.9(2) . .
O10 Re2 O9 74.41(14) . .
C5 Re2 O14 94.1(3) . .
C6 Re2 O14 93.8(3) . .
C4 Re2 O14 175.5(3) . .
O10 Re2 O14 81.20(16) . .
O9 Re2 O14 80.55(16) . .
O1 C1 Re1 177.1(7) . .
O2 C2 Re1 179.2(6) . .
O3 C3 Re1 175.9(9) . .
O4 C4 Re2 179.4(8) . .
O5 C5 Re2 178.4(8) . .
O6 C6 Re2 179.5(8) . .
O7 C7 C12 125.0(5) . .
O7 C7 C8 115.3(5) . .
C12 C7 C8 119.7(5) . .
O8 C8 C9 124.9(5) . .
O8 C8 C7 115.1(5) . .
C9 C8 C7 120.0(5) . .
C10 C9 C8 120.1(5) . .
C10 C9 Cl1 119.7(4) . .
C8 C9 Cl1 120.2(4) . .
O9 C10 C9 124.8(5) . .
O9 C10 C11 115.4(5) . .
C9 C10 C11 119.8(5) . .
O10 C11 C12 124.7(5) . .
O10 C11 C10 115.4(5) . .
C12 C11 C10 119.9(5) . .
C7 C12 C11 120.4(5) . .
C7 C12 Cl2 119.3(4) . .
C11 C12 Cl2 120.3(4) . .
O13 C13 H13A 109.5 . .
O13 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
O13 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O12 C14 H14A 109.5 . .
O12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
O12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 P1 112.5(4) . .
C16 C15 H15A 109.1 . .
P1 C15 H15A 109.1 . .
C16 C15 H15B 109.1 . .
P1 C15 H15B 109.1 . .
H15A C15 H15B 107.8 . .
C19 C16 C17 118.9(4) . .
C19 C16 C15 118.1(4) . .
C17 C16 C15 123.0(4) . .
C19 C17 C16 118.3(4) 2_766 .
C19 C17 C18 118.2(4) 2_766 .
C16 C17 C18 123.5(4) . .
C17 C18 P2 111.6(3) . 2_766
C17 C18 H18A 109.3 . .
P2 C18 H18A 109.3 2_766 .
C17 C18 H18B 109.3 . .
P2 C18 H18B 109.3 2_766 .
H18A C18 H18B 108.0 . .
C16 C19 C17 122.8(4) . 2_766
C16 C19 H19 118.6 . .
C17 C19 H19 118.6 2_766 .
O15 C21 H21A 109.5 . .
O15 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
O15 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C7 O7 Re1 116.1(4) . .
C8 O8 Re1 116.8(3) . .
C10 O9 Re2 116.9(3) . .
C11 O10 Re2 117.0(3) . .
P1 O11 Re1 145.0(2) . .
C14 O12 P1 123.2(4) . .
C13 O13 P1 123.5(4) . .
P2 O14 Re2 149.4(3) . .
C21 O15 P2 123.8(5) . .
C20B O16 C20A 55.3(12) . .
C20B O16 P2 133.9(11) . .
C20A O16 P2 129.0(10) . .
O11 P1 O12 114.1(3) . .
O11 P1 O13 114.1(2) . .
O12 P1 O13 103.7(2) . .
O11 P1 C15 109.7(2) . .
O12 P1 C15 104.7(3) . .
O13 P1 C15 110.1(2) . .
O14 P2 O16 111.5(3) . .
O14 P2 O15 115.8(3) . .
O16 P2 O15 102.6(3) . .
O14 P2 C18 109.3(3) . 2_766
O16 P2 C18 108.0(3) . 2_766
O15 P2 C18 109.4(3) . 2_766
C20B C20A O16 62.0(12) . .
C20A C20B O16 62.6(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 C3 1.877(8) .
Re1 C1 1.890(7) .
Re1 C2 1.895(8) .
Re1 O11 2.144(4) .
Re1 O8 2.147(4) .
Re1 O7 2.159(4) .
Re2 C5 1.874(8) .
Re2 C6 1.890(7) .
Re2 C4 1.892(7) .
Re2 O10 2.154(4) .
Re2 O9 2.155(4) .
Re2 O14 2.166(4) .
C1 O1 1.154(8) .
C2 O2 1.158(9) .
C3 O3 1.141(10) .
C4 O4 1.145(8) .
C5 O5 1.157(9) .
C6 O6 1.157(8) .
C7 O7 1.272(6) .
C7 C12 1.380(8) .
C7 C8 1.520(7) .
C8 O8 1.262(6) .
C8 C9 1.390(7) .
C9 C10 1.380(7) .
C9 Cl1 1.723(5) .
C10 O9 1.262(6) .
C10 C11 1.524(7) .
C11 O10 1.264(7) .
C11 C12 1.383(8) .
C12 Cl2 1.731(5) .
C13 O13 1.443(8) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 O12 1.447(7) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.513(7) .
C15 P1 1.790(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C19 1.385(7) .
C16 C17 1.405(7) .
C17 C19 1.390(7) 2_766
C17 C18 1.504(6) .
C18 P2 1.783(6) 2_766
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C17 1.390(7) 2_766
C19 H19 0.9300 .
C21 O15 1.413(9) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
O11 P1 1.480(4) .
O12 P1 1.545(4) .
O13 P1 1.549(4) .
O14 P2 1.466(5) .
O15 P2 1.559(4) .
O16 C20B 1.334(17) .
O16 C20A 1.341(17) .
O16 P2 1.542(5) .
P2 C18 1.783(6) 2_766
C20A C20B 1.24(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 Re1 C1 O1 143(13) . .
C2 Re1 C1 O1 55(13) . .
O11 Re1 C1 O1 -42(13) . .
O8 Re1 C1 O1 -58(14) . .
O7 Re1 C1 O1 -121(13) . .
C3 Re1 C2 O2 111(62) . .
C1 Re1 C2 O2 -162(62) . .
O11 Re1 C2 O2 -70(62) . .
O8 Re1 C2 O2 11(62) . .
O7 Re1 C2 O2 -3(63) . .
C1 Re1 C3 O3 3(19) . .
C2 Re1 C3 O3 90(19) . .
O11 Re1 C3 O3 -81(20) . .
O8 Re1 C3 O3 -175(19) . .
O7 Re1 C3 O3 -100(19) . .
C5 Re2 C4 O4 -6(67) . .
C6 Re2 C4 O4 80(67) . .
O10 Re2 C4 O4 178(100) . .
O9 Re2 C4 O4 -107(67) . .
O14 Re2 C4 O4 -145(65) . .
C6 Re2 C5 O5 39(32) . .
C4 Re2 C5 O5 129(32) . .
O10 Re2 C5 O5 -96(32) . .
O9 Re2 C5 O5 -135(32) . .
O14 Re2 C5 O5 -54(32) . .
C5 Re2 C6 O6 -87(89) . .
C4 Re2 C6 O6 -176(100) . .
O10 Re2 C6 O6 89(89) . .
O9 Re2 C6 O6 56(90) . .
O14 Re2 C6 O6 7(89) . .
O7 C7 C8 O8 1.4(7) . .
C12 C7 C8 O8 -177.2(5) . .
O7 C7 C8 C9 -179.7(5) . .
C12 C7 C8 C9 1.7(7) . .
O8 C8 C9 C10 -179.7(5) . .
C7 C8 C9 C10 1.6(8) . .
O8 C8 C9 Cl1 0.1(8) . .
C7 C8 C9 Cl1 -178.6(4) . .
C8 C9 C10 O9 179.8(5) . .
Cl1 C9 C10 O9 0.0(8) . .
C8 C9 C10 C11 -2.1(8) . .
Cl1 C9 C10 C11 178.1(4) . .
O9 C10 C11 O10 -1.9(7) . .
C9 C10 C11 O10 179.8(5) . .
O9 C10 C11 C12 177.7(5) . .
C9 C10 C11 C12 -0.6(7) . .
O7 C7 C12 C11 177.1(5) . .
C8 C7 C12 C11 -4.4(7) . .
O7 C7 C12 Cl2 -1.6(7) . .
C8 C7 C12 Cl2 176.9(4) . .
O10 C11 C12 C7 -176.5(5) . .
C10 C11 C12 C7 3.9(8) . .
O10 C11 C12 Cl2 2.2(8) . .
C10 C11 C12 Cl2 -177.4(4) . .
P1 C15 C16 C19 -91.9(5) . .
P1 C15 C16 C17 88.1(5) . .
C19 C16 C17 C19 -1.3(8) . 2_766
C15 C16 C17 C19 178.7(4) . 2_766
C19 C16 C17 C18 -179.7(4) . .
C15 C16 C17 C18 0.3(7) . .
C19 C17 C18 P2 -91.1(5) 2_766 2_766
C16 C17 C18 P2 87.3(5) . 2_766
C17 C16 C19 C17 1.3(8) . 2_766
C15 C16 C19 C17 -178.6(4) . 2_766
C12 C7 O7 Re1 -171.0(4) . .
C8 C7 O7 Re1 10.5(6) . .
C3 Re1 O7 C7 -110.8(5) . .
C1 Re1 O7 C7 160.6(4) . .
C2 Re1 O7 C7 2.7(16) . .
O11 Re1 O7 C7 70.8(4) . .
O8 Re1 O7 C7 -12.7(4) . .
C9 C8 O8 Re1 168.4(4) . .
C7 C8 O8 Re1 -12.8(6) . .
C3 Re1 O8 C8 107.9(5) . .
C1 Re1 O8 C8 -51(2) . .
C2 Re1 O8 C8 -163.5(4) . .
O11 Re1 O8 C8 -66.9(4) . .
O7 Re1 O8 C8 13.7(4) . .
C9 C10 O9 Re2 -173.4(4) . .
C11 C10 O9 Re2 8.3(6) . .
C5 Re2 O9 C10 167.4(4) . .
C6 Re2 O9 C10 25.3(18) . .
C4 Re2 O9 C10 -102.2(4) . .
O10 Re2 O9 C10 -8.4(4) . .
O14 Re2 O9 C10 75.0(4) . .
C12 C11 O10 Re2 174.9(4) . .
C10 C11 O10 Re2 -5.5(6) . .
C5 Re2 O10 C11 -32(3) . .
C6 Re2 O10 C11 -167.8(4) . .
C4 Re2 O10 C11 102.0(4) . .
O9 Re2 O10 C11 7.3(4) . .
O14 Re2 O10 C11 -75.3(4) . .
C3 Re1 O11 P1 178(29) . .
C1 Re1 O11 P1 94.9(5) . .
C2 Re1 O11 P1 7.5(5) . .
O8 Re1 O11 P1 -87.1(4) . .
O7 Re1 O11 P1 -162.8(5) . .
C5 Re2 O14 P2 -22.4(7) . .
C6 Re2 O14 P2 -108.8(6) . .
C4 Re2 O14 P2 116(3) . .
O10 Re2 O14 P2 153.3(6) . .
O9 Re2 O14 P2 77.8(6) . .
Re1 O11 P1 O12 84.0(5) . .
Re1 O11 P1 O13 -35.0(5) . .
Re1 O11 P1 C15 -159.0(4) . .
C14 O12 P1 O11 -67.4(6) . .
C14 O12 P1 O13 57.3(6) . .
C14 O12 P1 C15 172.7(5) . .
C13 O13 P1 O11 -54.5(6) . .
C13 O13 P1 O12 -179.2(5) . .
C13 O13 P1 C15 69.3(6) . .
C16 C15 P1 O11 -52.1(4) . .
C16 C15 P1 O12 70.7(4) . .
C16 C15 P1 O13 -178.5(3) . .
Re2 O14 P2 O16 -75.1(6) . .
Re2 O14 P2 O15 41.7(7) . .
Re2 O14 P2 C18 165.6(5) . 2_766
C20B O16 P2 O14 92.6(17) . .
C20A O16 P2 O14 169.0(12) . .
C20B O16 P2 O15 -31.9(17) . .
C20A O16 P2 O15 44.5(13) . .
C20B O16 P2 C18 -147.3(17) . 2_766
C20A O16 P2 C18 -71.0(12) . 2_766
C21 O15 P2 O14 55.5(7) . .
C21 O15 P2 O16 177.1(7) . .
C21 O15 P2 C18 -68.4(7) . 2_766
P2 O16 C20A C20B -121.7(15) . .
P2 O16 C20B C20A 113.4(17) . .
