#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:20:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179838 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/34/7013488.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_7013488
loop_
_publ_author_name
'Roland, Bryan K.'
'Selby, Hugh D.'
'Cole, Jenine R.'
'Zheng, Zhiping'
_publ_section_title
;
 Hydrogen-bonded supramolecular arrays of the [Re6(�3-Se)8]2+
 core-containing clusters
;
_journal_issue                   22
_journal_name_full               'Dalton Transactions'
_journal_page_first              4307
_journal_paper_doi               10.1039/b309004c
_journal_year                    2003
_chemical_formula_moiety
;
C38 H70 N2 O8 P4 Se8 Re6, 2(Sb F6)
;
_chemical_formula_sum            'C38 H70 F12 N2 O8 P4 Re6 Sb2 Se8'
_chemical_formula_weight         3027.22
_chemical_name_common            Trans-(Re6Se8)P4(Pdca)2
_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                105.420(2)
_cell_angle_beta                 94.520(2)
_cell_angle_gamma                90.674(2)
_cell_formula_units_Z            1
_cell_length_a                   12.5090(10)
_cell_length_b                   12.5169(10)
_cell_length_c                   12.5642(10)
_cell_measurement_reflns_used    7869
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      2.25
_cell_volume                     1889.4(3)
_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      170(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0595
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22860
_diffrn_reflns_theta_full        27.65
_diffrn_reflns_theta_max         27.65
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    14.277
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, Shelxl97, Sheldrick, G.M. (1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.661
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.347
_refine_diff_density_min         -3.279
_refine_diff_density_rms         0.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         8717
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0487P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1035
_reflns_number_gt                6018
_reflns_number_total             8717
_reflns_threshold_expression     I>2sigma
_cod_data_source_file            b309004c.txt
_cod_data_source_block           br26s
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013488
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
Re1 Re -0.42156(3) 0.07700(3) -0.36891(3) 0.01667(9) Uani 1 1 d . . .
Re2 Re -0.61656(3) -0.01309(3) -0.42010(3) 0.01672(9) Uani 1 1 d . . .
Re3 Re -0.44898(3) -0.13316(3) -0.48049(3) 0.01666(9) Uani 1 1 d . . .
Se4 Se -0.26524(7) -0.04061(7) -0.43251(7) 0.01964(19) Uani 1 1 d . . .
Se5 Se -0.36287(7) 0.21323(7) -0.46979(7) 0.01978(19) Uani 1 1 d . . .
Se6 Se -0.48696(7) -0.06683(7) -0.28073(7) 0.02042(19) Uani 1 1 d . . .
Se7 Se -0.58436(7) 0.18826(7) -0.31769(7) 0.02011(19) Uani 1 1 d . . .
P2 P -0.77534(18) -0.0305(2) -0.31959(19) 0.0236(5) Uani 1 1 d . . .
P1 P -0.31889(18) 0.17306(19) -0.19195(18) 0.0227(5) Uani 1 1 d . . .
N1 N -0.3903(5) -0.2901(6) -0.4523(6) 0.0192(15) Uani 1 1 d . . .
C5 C -0.4505(7) -0.3449(7) -0.3974(8) 0.026(2) Uani 1 1 d . . .
H5A H -0.5191 -0.3178 -0.3789 0.032 Uiso 1 1 calc R . .
C2 C -0.2543(7) -0.4224(8) -0.4506(8) 0.031(2) Uani 1 1 d . . .
C1 C -0.2940(8) -0.3294(7) -0.4768(8) 0.030(2) Uani 1 1 d . . .
H1A H -0.2504 -0.2913 -0.5144 0.036 Uiso 1 1 calc R . .
O62 O -0.4548(6) -0.5717(5) -0.2697(6) 0.0429(19) Uani 1 1 d . . .
O72 O -0.0858(6) -0.3970(6) -0.5157(7) 0.047(2) Uani 1 1 d . . .
O71 O -0.1145(6) -0.5472(6) -0.4560(7) 0.054(2) Uani 1 1 d . . .
H71A H -0.0497 -0.5567 -0.4677 0.082 Uiso 1 1 calc R . .
C16 C -0.1496(8) 0.1389(9) -0.0397(8) 0.042(3) Uani 1 1 d . . .
H16A H -0.1015 0.0838 -0.0216 0.062 Uiso 1 1 calc R . .
H16B H -0.1927 0.1690 0.0226 0.062 Uiso 1 1 calc R . .
H16C H -0.1071 0.1990 -0.0540 0.062 Uiso 1 1 calc R . .
O61 O -0.5751(6) -0.4458(6) -0.2846(8) 0.064(3) Uani 1 1 d . . .
H61A H -0.6105 -0.4776 -0.2470 0.096 Uiso 1 1 calc R . .
C6 C -0.4837(7) -0.4925(8) -0.3005(8) 0.029(2) Uani 1 1 d . . .
C4 C -0.4163(7) -0.4398(8) -0.3666(8) 0.031(2) Uani 1 1 d . . .
C3 C -0.3164(7) -0.4788(7) -0.3937(8) 0.029(2) Uani 1 1 d . . .
H3A H -0.2904 -0.5426 -0.3741 0.035 Uiso 1 1 calc R . .
C13 C -0.2235(7) 0.0841(8) -0.1424(8) 0.034(2) Uani 1 1 d . . .
H13A H -0.2645 0.0227 -0.1268 0.040 Uiso 1 1 calc R . .
H13B H -0.1783 0.0509 -0.2032 0.040 Uiso 1 1 calc R . .
C21 C -0.8866(7) -0.1088(8) -0.4103(8) 0.034(2) Uani 1 1 d . . .
H21A H -0.9059 -0.0710 -0.4687 0.041 Uiso 1 1 calc R . .
H21B H -0.8613 -0.1830 -0.4473 0.041 Uiso 1 1 calc R . .
C12 C -0.2402(8) 0.2954(8) -0.1952(8) 0.034(2) Uani 1 1 d . . .
H12A H -0.2873 0.3443 -0.2267 0.041 Uiso 1 1 calc R . .
H12B H -0.2158 0.3364 -0.1181 0.041 Uiso 1 1 calc R . .
C11 C -0.3990(8) 0.2331(8) -0.0766(7) 0.032(2) Uani 1 1 d . . .
H11A H -0.3498 0.2759 -0.0137 0.039 Uiso 1 1 calc R . .
H11B H -0.4476 0.2864 -0.0992 0.039 Uiso 1 1 calc R . .
C7 C -0.1439(8) -0.4584(8) -0.4777(8) 0.035(2) Uani 1 1 d . . .
C23 C -0.8327(8) 0.0984(8) -0.2477(8) 0.034(2) Uani 1 1 d . . .
H23A H -0.8914 0.0806 -0.2060 0.041 Uiso 1 1 calc R . .
H23B H -0.7769 0.1425 -0.1928 0.041 Uiso 1 1 calc R . .
C26 C -0.8774(8) 0.1708(8) -0.3205(9) 0.039(3) Uani 1 1 d . . .
H26A H -0.9057 0.2383 -0.2738 0.058 Uiso 1 1 calc R . .
H26B H -0.9350 0.1297 -0.3733 0.058 Uiso 1 1 calc R . .
H26C H -0.8199 0.1909 -0.3611 0.058 Uiso 1 1 calc R . .
C25 C -0.7294(8) -0.2196(8) -0.2463(9) 0.043(3) Uani 1 1 d . . .
H25A H -0.7204 -0.2494 -0.1816 0.064 Uiso 1 1 calc R . .
H25B H -0.6629 -0.2277 -0.2837 0.064 Uiso 1 1 calc R . .
H25C H -0.7883 -0.2604 -0.2977 0.064 Uiso 1 1 calc R . .
C22 C -0.7550(8) -0.0981(8) -0.2093(8) 0.037(3) Uani 1 1 d . . .
H22A H -0.6956 -0.0584 -0.1563 0.044 Uiso 1 1 calc R . .
H22B H -0.8207 -0.0911 -0.1691 0.044 Uiso 1 1 calc R . .
C24 C -0.9887(8) -0.1244(9) -0.3548(10) 0.047(3) Uani 1 1 d . . .
H24A H -1.0437 -0.1656 -0.4111 0.071 Uiso 1 1 calc R . .
H24B H -1.0153 -0.0516 -0.3181 0.071 Uiso 1 1 calc R . .
H24C H -0.9722 -0.1658 -0.2998 0.071 Uiso 1 1 calc R . .
C14 C -0.4663(9) 0.1536(10) -0.0350(9) 0.053(3) Uani 1 1 d . . .
H14A H -0.5042 0.1954 0.0275 0.080 Uiso 1 1 calc R . .
H14B H -0.4196 0.1007 -0.0107 0.080 Uiso 1 1 calc R . .
H14C H -0.5186 0.1133 -0.0948 0.080 Uiso 1 1 calc R . .
C15 C -0.1409(8) 0.2711(10) -0.2629(9) 0.050(3) Uani 1 1 d . . .
H15A H -0.1029 0.3411 -0.2593 0.075 Uiso 1 1 calc R . .
H15B H -0.1641 0.2334 -0.3402 0.075 Uiso 1 1 calc R . .
H15C H -0.0928 0.2237 -0.2319 0.075 Uiso 1 1 calc R . .
Sb1 Sb 0.17381(10) 0.25244(8) 0.11414(8) 0.0802(3) Uani 1 1 d . . .
F1 F 0.2442(9) 0.2121(7) 0.2350(7) 0.114(4) Uani 1 1 d . . .
F2 F 0.0957(8) 0.2890(7) -0.0043(7) 0.107(3) Uani 1 1 d . . .
F4 F 0.0836(12) 0.1283(10) 0.0856(13) 0.211(8) Uani 1 1 d . . .
F5 F 0.0825(16) 0.3319(15) 0.2074(13) 0.290(12) Uani 1 1 d . . .
F6 F 0.2488(17) 0.3798(14) 0.1481(11) 0.312(13) Uani 1 1 d . . .
F3 F 0.2614(10) 0.1813(18) 0.0304(10) 0.272(12) Uani 1 1 d . . .
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'
P P 0.1023 0.0942 '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'
Sb Sb -0.5866 1.5461 '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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
P1 Re1 Se7 92.21(6) . . ?
P1 Re1 Se6 89.74(6) . . ?
Se7 Re1 Se6 90.37(3) . . ?
P1 Re1 Se4 91.63(6) . . ?
Se7 Re1 Se4 176.16(3) . . ?
Se6 Re1 Se4 89.81(3) . . ?
P1 Re1 Se5 94.28(6) . . ?
Se7 Re1 Se5 89.73(3) . . ?
Se6 Re1 Se5 175.97(3) . . ?
Se4 Re1 Se5 89.83(3) . . ?
P1 Re1 Re2 133.66(6) . . ?
Se7 Re1 Re2 58.56(2) . . ?
Se6 Re1 Re2 58.60(2) . . ?
Se4 Re1 Re2 118.49(3) . . ?
Se5 Re1 Re2 118.25(2) . . ?
P1 Re1 Re3 133.25(6) . . ?
Se7 Re1 Re3 118.57(3) . . ?
Se6 Re1 Re3 58.34(2) . . ?
Se4 Re1 Re3 58.48(2) . . ?
Se5 Re1 Re3 118.24(2) . . ?
Re2 Re1 Re3 60.029(12) . . ?
P1 Re1 Re3 136.89(6) . 2_454 ?
Se7 Re1 Re3 58.45(2) . 2_454 ?
Se6 Re1 Re3 118.49(2) . 2_454 ?
Se4 Re1 Re3 118.25(2) . 2_454 ?
Se5 Re1 Re3 58.35(2) . 2_454 ?
Re2 Re1 Re3 59.914(13) . 2_454 ?
Re3 Re1 Re3 89.833(14) . 2_454 ?
P1 Re1 Re2 136.37(6) . 2_454 ?
Se7 Re1 Re2 118.37(2) . 2_454 ?
Se6 Re1 Re2 118.16(2) . 2_454 ?
Se4 Re1 Re2 58.32(2) . 2_454 ?
Se5 Re1 Re2 58.43(2) . 2_454 ?
Re2 Re1 Re2 89.914(14) . 2_454 ?
Re3 Re1 Re2 59.834(12) . 2_454 ?
Re3 Re1 Re2 59.931(13) 2_454 2_454 ?
P2 Re2 Se4 90.11(6) . 2_454 ?
P2 Re2 Se7 92.53(6) . . ?
Se4 Re2 Se7 90.22(3) 2_454 . ?
P2 Re2 Se5 91.65(6) . 2_454 ?
Se4 Re2 Se5 89.71(3) 2_454 2_454 ?
Se7 Re2 Se5 175.83(3) . 2_454 ?
P2 Re2 Se6 93.99(6) . . ?
Se4 Re2 Se6 175.88(3) 2_454 . ?
Se7 Re2 Se6 89.98(3) . . ?
Se5 Re2 Se6 89.80(3) 2_454 . ?
P2 Re2 Re3 134.02(6) . 2_454 ?
Se4 Re2 Re3 58.52(2) 2_454 2_454 ?
Se7 Re2 Re3 58.41(2) . 2_454 ?
Se5 Re2 Re3 118.22(2) 2_454 2_454 ?
Se6 Re2 Re3 118.33(3) . 2_454 ?
P2 Re2 Re1 136.54(6) . . ?
Se4 Re2 Re1 118.58(2) 2_454 . ?
Se7 Re2 Re1 58.25(2) . . ?
Se5 Re2 Re1 118.30(2) 2_454 . ?
Se6 Re2 Re1 58.27(2) . . ?
Re3 Re2 Re1 60.082(12) 2_454 . ?
P2 Re2 Re3 136.01(6) . . ?
Se4 Re2 Re3 118.23(2) 2_454 . ?
Se7 Re2 Re3 118.25(2) . . ?
Se5 Re2 Re3 58.30(2) 2_454 . ?
Se6 Re2 Re3 58.23(2) . . ?
Re3 Re2 Re3 89.919(14) 2_454 . ?
Re1 Re2 Re3 60.011(13) . . ?
P2 Re2 Re1 133.36(6) . 2_454 ?
Se4 Re2 Re1 58.30(2) 2_454 2_454 ?
Se7 Re2 Re1 118.37(2) . 2_454 ?
Se5 Re2 Re1 58.26(2) 2_454 2_454 ?
Se6 Re2 Re1 118.16(2) . 2_454 ?
Re3 Re2 Re1 59.974(13) 2_454 2_454 ?
Re1 Re2 Re1 90.086(14) . 2_454 ?
Re3 Re2 Re1 59.939(12) . 2_454 ?
N1 Re3 Se6 90.08(17) . . ?
N1 Re3 Se5 91.62(18) . 2_454 ?
Se6 Re3 Se5 90.14(3) . 2_454 ?
N1 Re3 Se7 93.57(17) . 2_454 ?
Se6 Re3 Se7 176.35(3) . 2_454 ?
Se5 Re3 Se7 89.64(3) 2_454 2_454 ?
N1 Re3 Se4 92.31(18) . . ?
Se6 Re3 Se4 89.74(3) . . ?
Se5 Re3 Se4 176.07(3) 2_454 . ?
Se7 Re3 Se4 90.23(3) 2_454 . ?
N1 Re3 Re2 136.35(18) . 2_454 ?
Se6 Re3 Re2 118.54(2) . 2_454 ?
Se5 Re3 Re2 118.39(2) 2_454 2_454 ?
Se7 Re3 Re2 58.53(2) 2_454 2_454 ?
Se4 Re3 Re2 58.41(2) . 2_454 ?
N1 Re3 Re1 133.90(18) . . ?
Se6 Re3 Re1 58.36(2) . . ?
Se5 Re3 Re1 118.46(2) 2_454 . ?
Se7 Re3 Re1 118.71(2) 2_454 . ?
Se4 Re3 Re1 58.34(2) . . ?
Re2 Re3 Re1 60.192(13) 2_454 . ?
N1 Re3 Re2 133.56(18) . . ?
Se6 Re3 Re2 58.58(2) . . ?
Se5 Re3 Re2 58.51(2) 2_454 . ?
Se7 Re3 Re2 118.38(2) 2_454 . ?
Se4 Re3 Re2 118.29(2) . . ?
Re2 Re3 Re2 90.081(14) 2_454 . ?
Re1 Re3 Re2 59.960(13) . . ?
N1 Re3 Re1 135.89(18) . 2_454 ?
Se6 Re3 Re1 118.70(2) . 2_454 ?
Se5 Re3 Re1 58.39(2) 2_454 2_454 ?
Se7 Re3 Re1 58.26(2) 2_454 2_454 ?
Se4 Re3 Re1 118.40(2) . 2_454 ?
Re2 Re3 Re1 60.004(13) 2_454 2_454 ?
Re1 Re3 Re1 90.167(14) . 2_454 ?
Re2 Re3 Re1 60.130(13) . 2_454 ?
Re1 Se4 Re2 63.38(2) . 2_454 ?
Re1 Se4 Re3 63.18(2) . . ?
Re2 Se4 Re3 63.07(2) 2_454 . ?
Re3 Se5 Re1 63.25(2) 2_454 . ?
Re3 Se5 Re2 63.19(2) 2_454 2_454 ?
Re1 Se5 Re2 63.31(2) . 2_454 ?
Re3 Se6 Re1 63.30(2) . . ?
Re3 Se6 Re2 63.19(2) . . ?
Re1 Se6 Re2 63.13(2) . . ?
Re1 Se7 Re3 63.29(2) . 2_454 ?
Re1 Se7 Re2 63.19(2) . . ?
Re3 Se7 Re2 63.05(2) 2_454 . ?
C22 P2 C23 101.2(4) . . ?
C22 P2 C21 104.7(5) . . ?
C23 P2 C21 104.6(5) . . ?
C22 P2 Re2 116.1(3) . . ?
C23 P2 Re2 116.1(3) . . ?
C21 P2 Re2 112.6(3) . . ?
C12 P1 C13 105.2(5) . . ?
C12 P1 C11 100.1(4) . . ?
C13 P1 C11 106.3(5) . . ?
C12 P1 Re1 115.2(3) . . ?
C13 P1 Re1 113.0(3) . . ?
C11 P1 Re1 115.7(3) . . ?
C1 N1 C5 117.3(7) . . ?
C1 N1 Re3 123.8(6) . . ?
C5 N1 Re3 118.6(5) . . ?
N1 C5 C4 123.2(8) . . ?
N1 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
C1 C2 C3 119.2(9) . . ?
C1 C2 C7 120.0(9) . . ?
C3 C2 C7 120.7(8) . . ?
N1 C1 C2 123.5(9) . . ?
N1 C1 H1A 118.2 . . ?
C2 C1 H1A 118.2 . . ?
C7 O71 H71A 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C6 O61 H61A 109.5 . . ?
O62 C6 O61 125.6(9) . . ?
O62 C6 C4 122.0(9) . . ?
O61 C6 C4 112.4(8) . . ?
C3 C4 C5 118.1(9) . . ?
C3 C4 C6 121.2(9) . . ?
C5 C4 C6 120.6(8) . . ?
C4 C3 C2 118.7(8) . . ?
C4 C3 H3A 120.6 . . ?
C2 C3 H3A 120.6 . . ?
C16 C13 P1 116.7(7) . . ?
C16 C13 H13A 108.1 . . ?
P1 C13 H13A 108.1 . . ?
C16 C13 H13B 108.1 . . ?
P1 C13 H13B 108.1 . . ?
H13A C13 H13B 107.3 . . ?
C24 C21 P2 116.3(8) . . ?
C24 C21 H21A 108.2 . . ?
P2 C21 H21A 108.2 . . ?
C24 C21 H21B 108.2 . . ?
P2 C21 H21B 108.2 . . ?
H21A C21 H21B 107.4 . . ?
C15 C12 P1 114.9(7) . . ?
C15 C12 H12A 108.5 . . ?
P1 C12 H12A 108.5 . . ?
C15 C12 H12B 108.5 . . ?
P1 C12 H12B 108.5 . . ?
H12A C12 H12B 107.5 . . ?
C14 C11 P1 117.2(7) . . ?
C14 C11 H11A 108.0 . . ?
P1 C11 H11A 108.0 . . ?
C14 C11 H11B 108.0 . . ?
P1 C11 H11B 108.0 . . ?
H11A C11 H11B 107.2 . . ?
O72 C7 O71 124.9(9) . . ?
O72 C7 C2 118.4(8) . . ?
O71 C7 C2 116.6(9) . . ?
C26 C23 P2 116.0(7) . . ?
C26 C23 H23A 108.3 . . ?
P2 C23 H23A 108.3 . . ?
C26 C23 H23B 108.3 . . ?
P2 C23 H23B 108.3 . . ?
H23A C23 H23B 107.4 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C25 C22 P2 115.1(7) . . ?
C25 C22 H22A 108.5 . . ?
P2 C22 H22A 108.5 . . ?
C25 C22 H22B 108.5 . . ?
P2 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
F3 Sb1 F6 95.1(10) . . ?
F3 Sb1 F5 178.2(10) . . ?
F6 Sb1 F5 83.4(10) . . ?
F3 Sb1 F4 90.9(9) . . ?
F6 Sb1 F4 173.9(10) . . ?
F5 Sb1 F4 90.6(10) . . ?
F3 Sb1 F2 91.9(5) . . ?
F6 Sb1 F2 91.5(5) . . ?
F5 Sb1 F2 89.1(5) . . ?
F4 Sb1 F2 87.0(4) . . ?
F3 Sb1 F1 90.1(5) . . ?
F6 Sb1 F1 91.2(5) . . ?
F5 Sb1 F1 88.9(5) . . ?
F4 Sb1 F1 90.1(4) . . ?
F2 Sb1 F1 176.4(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Re1 P1 2.476(2) . ?
Re1 Se7 2.5096(9) . ?
Re1 Se6 2.5113(9) . ?
Re1 Se4 2.5134(9) . ?
Re1 Se5 2.5139(9) . ?
Re1 Re2 2.6339(5) . ?
Re1 Re3 2.6353(5) . ?
Re1 Re3 2.6360(5) 2_454 ?
Re1 Re2 2.6410(5) 2_454 ?
Re2 P2 2.474(2) . ?
Re2 Se4 2.5141(9) 2_454 ?
Re2 Se7 2.5179(9) . ?
Re2 Se5 2.5183(9) 2_454 ?
Re2 Se6 2.5203(9) . ?
Re2 Re3 2.6315(5) 2_454 ?
Re2 Re3 2.6357(5) . ?
Re2 Re1 2.6410(5) 2_454 ?
Re3 N1 2.211(6) . ?
Re3 Se6 2.5107(9) . ?
Re3 Se5 2.5128(9) 2_454 ?
Re3 Se7 2.5146(9) 2_454 ?
Re3 Se4 2.5170(9) . ?
Re3 Re2 2.6315(5) 2_454 ?
Re3 Re1 2.6360(5) 2_454 ?
Se4 Re2 2.5141(9) 2_454 ?
Se5 Re3 2.5128(9) 2_454 ?
Se5 Re2 2.5183(9) 2_454 ?
Se7 Re3 2.5146(9) 2_454 ?
P2 C22 1.810(9) . ?
P2 C23 1.813(9) . ?
P2 C21 1.822(10) . ?
P1 C12 1.822(9) . ?
P1 C13 1.826(9) . ?
P1 C11 1.827(9) . ?
N1 C1 1.334(11) . ?
N1 C5 1.354(11) . ?
C5 C4 1.406(12) . ?
C5 H5A 0.9500 . ?
C2 C1 1.379(12) . ?
C2 C3 1.397(13) . ?
C2 C7 1.495(13) . ?
C1 H1A 0.9500 . ?
O62 C6 1.206(10) . ?
O72 C7 1.258(11) . ?
O71 C7 1.264(10) . ?
O71 H71A 0.8400 . ?
C16 C13 1.522(12) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
O61 C6 1.296(11) . ?
O61 H61A 0.8400 . ?
C6 C4 1.490(12) . ?
C4 C3 1.382(12) . ?
C3 H3A 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C21 C24 1.537(12) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C12 C15 1.548(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C11 C14 1.516(14) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C23 C26 1.531(13) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C25 C22 1.514(13) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
Sb1 F3 1.675(13) . ?
Sb1 F6 1.774(11) . ?
Sb1 F5 1.812(13) . ?
Sb1 F4 1.848(11) . ?
Sb1 F2 1.877(9) . ?
Sb1 F1 1.883(8) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Re1 Re2 P2 3.89(11) . . . . ?
Se7 Re1 Re2 P2 -54.72(8) . . . . ?
Se6 Re1 Re2 P2 57.74(8) . . . . ?
Se4 Re1 Re2 P2 128.12(8) . . . . ?
Se5 Re1 Re2 P2 -125.15(8) . . . . ?
Re3 Re1 Re2 P2 126.77(8) . . . . ?
Re3 Re1 Re2 P2 -123.95(8) 2_454 . . . ?
Re2 Re1 Re2 P2 -178.62(8) 2_454 . . . ?
P1 Re1 Re2 Se4 129.21(8) . . . 2_454 ?
Se7 Re1 Re2 Se4 70.61(3) . . . 2_454 ?
Se6 Re1 Re2 Se4 -176.93(4) . . . 2_454 ?
Se4 Re1 Re2 Se4 -106.55(3) . . . 2_454 ?
Se5 Re1 Re2 Se4 0.17(4) . . . 2_454 ?
Re3 Re1 Re2 Se4 -107.90(3) . . . 2_454 ?
Re3 Re1 Re2 Se4 1.38(3) 2_454 . . 2_454 ?
Re2 Re1 Re2 Se4 -53.30(3) 2_454 . . 2_454 ?
P1 Re1 Re2 Se7 58.60(8) . . . . ?
Se6 Re1 Re2 Se7 112.46(3) . . . . ?
Se4 Re1 Re2 Se7 -177.16(3) . . . . ?
Se5 Re1 Re2 Se7 -70.44(3) . . . . ?
Re3 Re1 Re2 Se7 -178.51(3) . . . . ?
Re3 Re1 Re2 Se7 -69.23(3) 2_454 . . . ?
Re2 Re1 Re2 Se7 -123.91(3) 2_454 . . . ?
P1 Re1 Re2 Se5 -124.12(8) . . . 2_454 ?
Se7 Re1 Re2 Se5 177.28(4) . . . 2_454 ?
Se6 Re1 Re2 Se5 -70.26(3) . . . 2_454 ?
Se4 Re1 Re2 Se5 0.12(4) . . . 2_454 ?
Se5 Re1 Re2 Se5 106.84(3) . . . 2_454 ?
Re3 Re1 Re2 Se5 -1.23(3) . . . 2_454 ?
Re3 Re1 Re2 Se5 108.05(3) 2_454 . . 2_454 ?
Re2 Re1 Re2 Se5 53.37(3) 2_454 . . 2_454 ?
P1 Re1 Re2 Se6 -53.86(8) . . . . ?
Se7 Re1 Re2 Se6 -112.46(3) . . . . ?
Se4 Re1 Re2 Se6 70.38(3) . . . . ?
Se5 Re1 Re2 Se6 177.10(3) . . . . ?
Re3 Re1 Re2 Se6 69.03(3) . . . . ?
Re3 Re1 Re2 Se6 178.31(3) 2_454 . . . ?
Re2 Re1 Re2 Se6 123.63(3) 2_454 . . . ?
P1 Re1 Re2 Re3 127.83(8) . . . 2_454 ?
Se7 Re1 Re2 Re3 69.23(3) . . . 2_454 ?
Se6 Re1 Re2 Re3 -178.31(3) . . . 2_454 ?
Se4 Re1 Re2 Re3 -107.93(3) . . . 2_454 ?
Se5 Re1 Re2 Re3 -1.21(3) . . . 2_454 ?
Re3 Re1 Re2 Re3 -109.282(14) . . . 2_454 ?
Re2 Re1 Re2 Re3 -54.677(12) 2_454 . . 2_454 ?
P1 Re1 Re2 Re3 -122.88(8) . . . . ?
Se7 Re1 Re2 Re3 178.51(3) . . . . ?
Se6 Re1 Re2 Re3 -69.03(3) . . . . ?
Se4 Re1 Re2 Re3 1.35(3) . . . . ?
Se5 Re1 Re2 Re3 108.07(3) . . . . ?
Re3 Re1 Re2 Re3 109.282(14) 2_454 . . . ?
Re2 Re1 Re2 Re3 54.605(11) 2_454 . . . ?
P1 Re1 Re2 Re1 -177.49(8) . . . 2_454 ?
Se7 Re1 Re2 Re1 123.91(3) . . . 2_454 ?
Se6 Re1 Re2 Re1 -123.63(3) . . . 2_454 ?
Se4 Re1 Re2 Re1 -53.25(3) . . . 2_454 ?
Se5 Re1 Re2 Re1 53.47(3) . . . 2_454 ?
Re3 Re1 Re2 Re1 -54.605(11) . . . 2_454 ?
Re3 Re1 Re2 Re1 54.677(12) 2_454 . . 2_454 ?
Re2 Re1 Re2 Re1 0.0 2_454 . . 2_454 ?
P1 Re1 Re3 N1 0.2(3) . . . . ?
Se7 Re1 Re3 N1 -124.7(2) . . . . ?
Se6 Re1 Re3 N1 -53.8(2) . . . . ?
Se4 Re1 Re3 N1 58.1(2) . . . . ?
Se5 Re1 Re3 N1 128.7(2) . . . . ?
Re2 Re1 Re3 N1 -123.2(2) . . . . ?
Re3 Re1 Re3 N1 -178.0(2) 2_454 . . . ?
Re2 Re1 Re3 N1 127.3(2) 2_454 . . . ?
P1 Re1 Re3 Se6 54.03(8) . . . . ?
Se7 Re1 Re3 Se6 -70.90(3) . . . . ?
Se4 Re1 Re3 Se6 111.94(3) . . . . ?
Se5 Re1 Re3 Se6 -177.55(4) . . . . ?
Re2 Re1 Re3 Se6 -69.45(3) . . . . ?
Re3 Re1 Re3 Se6 -124.21(3) 2_454 . . . ?
Re2 Re1 Re3 Se6 -178.92(3) 2_454 . . . ?
P1 Re1 Re3 Se5 124.72(8) . . . 2_454 ?
Se7 Re1 Re3 Se5 -0.21(4) . . . 2_454 ?
Se6 Re1 Re3 Se5 70.69(3) . . . 2_454 ?
Se4 Re1 Re3 Se5 -177.37(4) . . . 2_454 ?
Se5 Re1 Re3 Se5 -106.85(3) . . . 2_454 ?
Re2 Re1 Re3 Se5 1.24(3) . . . 2_454 ?
Re3 Re1 Re3 Se5 -53.52(3) 2_454 . . 2_454 ?
Re2 Re1 Re3 Se5 -108.22(3) 2_454 . . 2_454 ?
P1 Re1 Re3 Se7 -128.50(8) . . . 2_454 ?
Se7 Re1 Re3 Se7 106.58(3) . . . 2_454 ?
Se6 Re1 Re3 Se7 177.47(4) . . . 2_454 ?
Se4 Re1 Re3 Se7 -70.59(3) . . . 2_454 ?
Se5 Re1 Re3 Se7 -0.07(4) . . . 2_454 ?
Re2 Re1 Re3 Se7 108.02(3) . . . 2_454 ?
Re3 Re1 Re3 Se7 53.26(3) 2_454 . . 2_454 ?
Re2 Re1 Re3 Se7 -1.44(3) 2_454 . . 2_454 ?
P1 Re1 Re3 Se4 -57.91(8) . . . . ?
Se7 Re1 Re3 Se4 177.16(4) . . . . ?
Se6 Re1 Re3 Se4 -111.94(3) . . . . ?
Se5 Re1 Re3 Se4 70.52(3) . . . . ?
Re2 Re1 Re3 Se4 178.61(3) . . . . ?
Re3 Re1 Re3 Se4 123.85(3) 2_454 . . . ?
Re2 Re1 Re3 Se4 69.15(3) 2_454 . . . ?
P1 Re1 Re3 Re2 -127.06(8) . . . 2_454 ?
Se7 Re1 Re3 Re2 108.02(3) . . . 2_454 ?
Se6 Re1 Re3 Re2 178.92(3) . . . 2_454 ?
Se4 Re1 Re3 Re2 -69.15(3) . . . 2_454 ?
Se5 Re1 Re3 Re2 1.37(3) . . . 2_454 ?
Re2 Re1 Re3 Re2 109.462(13) . . . 2_454 ?
Re3 Re1 Re3 Re2 54.702(12) 2_454 . . 2_454 ?
P1 Re1 Re3 Re2 123.48(8) . . . . ?
Se7 Re1 Re3 Re2 -1.44(3) . . . . ?
Se6 Re1 Re3 Re2 69.45(3) . . . . ?
Se4 Re1 Re3 Re2 -178.61(3) . . . . ?
Se5 Re1 Re3 Re2 -108.09(3) . . . . ?
Re3 Re1 Re3 Re2 -54.760(12) 2_454 . . . ?
Re2 Re1 Re3 Re2 -109.462(13) 2_454 . . . ?
P1 Re1 Re3 Re1 178.24(8) . . . 2_454 ?
Se7 Re1 Re3 Re1 53.32(3) . . . 2_454 ?
Se6 Re1 Re3 Re1 124.21(3) . . . 2_454 ?
Se4 Re1 Re3 Re1 -123.85(3) . . . 2_454 ?
Se5 Re1 Re3 Re1 -53.33(3) . . . 2_454 ?
Re2 Re1 Re3 Re1 54.760(12) . . . 2_454 ?
Re3 Re1 Re3 Re1 0.0 2_454 . . 2_454 ?
Re2 Re1 Re3 Re1 -54.702(12) 2_454 . . 2_454 ?
P2 Re2 Re3 N1 -3.8(3) . . . . ?
Se4 Re2 Re3 N1 -127.8(2) 2_454 . . . ?
Se7 Re2 Re3 N1 125.2(2) . . . . ?
Se5 Re2 Re3 N1 -57.5(2) 2_454 . . . ?
Se6 Re2 Re3 N1 54.7(2) . . . . ?
Re3 Re2 Re3 N1 178.6(2) 2_454 . . . ?
Re1 Re2 Re3 N1 123.7(2) . . . . ?
Re1 Re2 Re3 N1 -126.6(2) 2_454 . . . ?
P2 Re2 Re3 Se6 -58.41(9) . . . . ?
Se4 Re2 Re3 Se6 177.59(4) 2_454 . . . ?
Se7 Re2 Re3 Se6 70.53(4) . . . . ?
Se5 Re2 Re3 Se6 -112.18(3) 2_454 . . . ?
Re3 Re2 Re3 Se6 123.99(3) 2_454 . . . ?
Re1 Re2 Re3 Se6 69.09(3) . . . . ?
Re1 Re2 Re3 Se6 178.73(3) 2_454 . . . ?
P2 Re2 Re3 Se5 53.77(9) . . . 2_454 ?
Se4 Re2 Re3 Se5 -70.23(3) 2_454 . . 2_454 ?
Se7 Re2 Re3 Se5 -177.29(4) . . . 2_454 ?
Se6 Re2 Re3 Se5 112.18(3) . . . 2_454 ?
Re3 Re2 Re3 Se5 -123.83(3) 2_454 . . 2_454 ?
Re1 Re2 Re3 Se5 -178.72(3) . . . 2_454 ?
Re1 Re2 Re3 Se5 -69.09(3) 2_454 . . 2_454 ?
P2 Re2 Re3 Se7 123.94(9) . . . 2_454 ?
Se4 Re2 Re3 Se7 -0.07(4) 2_454 . . 2_454 ?
Se7 Re2 Re3 Se7 -107.12(3) . . . 2_454 ?
Se5 Re2 Re3 Se7 70.16(3) 2_454 . . 2_454 ?
Se6 Re2 Re3 Se7 -177.65(4) . . . 2_454 ?
Re3 Re2 Re3 Se7 -53.66(3) 2_454 . . 2_454 ?
Re1 Re2 Re3 Se7 -108.56(3) . . . 2_454 ?
Re1 Re2 Re3 Se7 1.08(3) 2_454 . . 2_454 ?
P2 Re2 Re3 Se4 -128.85(9) . . . . ?
Se4 Re2 Re3 Se4 107.14(3) 2_454 . . . ?
Se7 Re2 Re3 Se4 0.09(4) . . . . ?
Se5 Re2 Re3 Se4 177.38(4) 2_454 . . . ?
Se6 Re2 Re3 Se4 -70.44(3) . . . . ?
Re3 Re2 Re3 Se4 53.55(3) 2_454 . . . ?
Re1 Re2 Re3 Se4 -1.35(3) . . . . ?
Re1 Re2 Re3 Se4 108.29(3) 2_454 . . . ?
P2 Re2 Re3 Re2 177.60(9) . . . 2_454 ?
Se4 Re2 Re3 Re2 53.59(3) 2_454 . . 2_454 ?
Se7 Re2 Re3 Re2 -53.46(3) . . . 2_454 ?
Se5 Re2 Re3 Re2 123.83(3) 2_454 . . 2_454 ?
Se6 Re2 Re3 Re2 -123.99(3) . . . 2_454 ?
Re3 Re2 Re3 Re2 0.0 2_454 . . 2_454 ?
Re1 Re2 Re3 Re2 -54.897(12) . . . 2_454 ?
Re1 Re2 Re3 Re2 54.737(12) 2_454 . . 2_454 ?
P2 Re2 Re3 Re1 -127.50(8) . . . . ?
Se4 Re2 Re3 Re1 108.49(3) 2_454 . . . ?
Se7 Re2 Re3 Re1 1.44(3) . . . . ?
Se5 Re2 Re3 Re1 178.72(3) 2_454 . . . ?
Se6 Re2 Re3 Re1 -69.09(3) . . . . ?
Re3 Re2 Re3 Re1 54.897(12) 2_454 . . . ?
Re1 Re2 Re3 Re1 109.633(14) 2_454 . . . ?
P2 Re2 Re3 Re1 122.86(8) . . . 2_454 ?
Se4 Re2 Re3 Re1 -1.14(3) 2_454 . . 2_454 ?
Se7 Re2 Re3 Re1 -108.20(3) . . . 2_454 ?
Se5 Re2 Re3 Re1 69.09(3) 2_454 . . 2_454 ?
Se6 Re2 Re3 Re1 -178.73(3) . . . 2_454 ?
Re3 Re2 Re3 Re1 -54.737(12) 2_454 . . 2_454 ?
Re1 Re2 Re3 Re1 -109.633(13) . . . 2_454 ?
P1 Re1 Se4 Re2 -146.44(6) . . . 2_454 ?
Se7 Re1 Se4 Re2 31.2(5) . . . 2_454 ?
Se6 Re1 Se4 Re2 123.83(3) . . . 2_454 ?
Se5 Re1 Se4 Re2 -52.16(3) . . . 2_454 ?
Re2 Re1 Se4 Re2 70.31(3) . . . 2_454 ?
Re3 Re1 Se4 Re2 71.687(19) . . . 2_454 ?
Re3 Re1 Se4 Re2 1.16(3) 2_454 . . 2_454 ?
P1 Re1 Se4 Re3 141.88(6) . . . . ?
Se7 Re1 Se4 Re3 -40.5(5) . . . . ?
Se6 Re1 Se4 Re3 52.14(3) . . . . ?
Se5 Re1 Se4 Re3 -123.85(3) . . . . ?
Re2 Re1 Se4 Re3 -1.37(3) . . . . ?
Re3 Re1 Se4 Re3 -70.52(3) 2_454 . . . ?
Re2 Re1 Se4 Re3 -71.687(19) 2_454 . . . ?
N1 Re3 Se4 Re1 -142.23(17) . . . . ?
Se6 Re3 Se4 Re1 -52.16(2) . . . . ?
Se5 Re3 Se4 Re1 36.1(5) 2_454 . . . ?
Se7 Re3 Se4 Re1 124.19(3) 2_454 . . . ?
Re2 Re3 Se4 Re1 72.157(19) 2_454 . . . ?
Re2 Re3 Se4 Re1 1.37(3) . . . . ?
Re1 Re3 Se4 Re1 70.76(3) 2_454 . . . ?
N1 Re3 Se4 Re2 145.61(17) . . . 2_454 ?
Se6 Re3 Se4 Re2 -124.32(3) . . . 2_454 ?
Se5 Re3 Se4 Re2 -36.0(5) 2_454 . . 2_454 ?
Se7 Re3 Se4 Re2 52.03(2) 2_454 . . 2_454 ?
Re1 Re3 Se4 Re2 -72.157(19) . . . 2_454 ?
Re2 Re3 Se4 Re2 -70.79(3) . . . 2_454 ?
Re1 Re3 Se4 Re2 -1.40(3) 2_454 . . 2_454 ?
P1 Re1 Se5 Re3 -144.48(6) . . . 2_454 ?
Se7 Re1 Se5 Re3 -52.28(3) . . . 2_454 ?
Se6 Re1 Se5 Re3 39.1(4) . . . 2_454 ?
Se4 Re1 Se5 Re3 123.90(3) . . . 2_454 ?
Re2 Re1 Se5 Re3 1.23(3) . . . 2_454 ?
Re3 Re1 Se5 Re3 70.43(2) . . . 2_454 ?
Re2 Re1 Se5 Re3 71.818(19) 2_454 . . 2_454 ?
P1 Re1 Se5 Re2 143.70(6) . . . 2_454 ?
Se7 Re1 Se5 Re2 -124.10(3) . . . 2_454 ?
Se6 Re1 Se5 Re2 -32.7(4) . . . 2_454 ?
Se4 Re1 Se5 Re2 52.08(3) . . . 2_454 ?
Re2 Re1 Se5 Re2 -70.59(2) . . . 2_454 ?
Re3 Re1 Se5 Re2 -1.39(3) . . . 2_454 ?
Re3 Re1 Se5 Re2 -71.818(19) 2_454 . . 2_454 ?
N1 Re3 Se6 Re1 144.45(18) . . . . ?
Se5 Re3 Se6 Re1 -123.93(3) 2_454 . . . ?
Se7 Re3 Se6 Re1 -37.3(5) 2_454 . . . ?
Se4 Re3 Se6 Re1 52.14(2) . . . . ?
Re2 Re3 Se6 Re1 -1.07(3) 2_454 . . . ?
Re2 Re3 Se6 Re1 -71.780(19) . . . . ?
Re1 Re3 Se6 Re1 -70.52(3) 2_454 . . . ?
N1 Re3 Se6 Re2 -143.77(18) . . . . ?
Se5 Re3 Se6 Re2 -52.15(3) 2_454 . . . ?
Se7 Re3 Se6 Re2 34.4(5) 2_454 . . . ?
Se4 Re3 Se6 Re2 123.92(3) . . . . ?
Re2 Re3 Se6 Re2 70.71(3) 2_454 . . . ?
Re1 Re3 Se6 Re2 71.780(19) . . . . ?
Re1 Re3 Se6 Re2 1.26(3) 2_454 . . . ?
P1 Re1 Se6 Re3 -143.88(6) . . . . ?
Se7 Re1 Se6 Re3 123.91(3) . . . . ?
Se4 Re1 Se6 Re3 -52.25(3) . . . . ?
Se5 Re1 Se6 Re3 32.5(4) . . . . ?
Re2 Re1 Se6 Re3 71.870(19) . . . . ?
Re3 Re1 Se6 Re3 70.21(3) 2_454 . . . ?
Re2 Re1 Se6 Re3 1.06(3) 2_454 . . . ?
P1 Re1 Se6 Re2 144.25(6) . . . . ?
Se7 Re1 Se6 Re2 52.04(3) . . . . ?
Se4 Re1 Se6 Re2 -124.12(3) . . . . ?
Se5 Re1 Se6 Re2 -39.4(4) . . . . ?
Re3 Re1 Se6 Re2 -71.870(19) . . . . ?
Re3 Re1 Se6 Re2 -1.66(3) 2_454 . . . ?
Re2 Re1 Se6 Re2 -70.81(2) 2_454 . . . ?
P2 Re2 Se6 Re3 143.63(6) . . . . ?
Se4 Re2 Se6 Re3 -31.1(5) 2_454 . . . ?
Se7 Re2 Se6 Re3 -123.84(3) . . . . ?
Se5 Re2 Se6 Re3 51.99(3) 2_454 . . . ?
Re3 Re2 Se6 Re3 -70.38(3) 2_454 . . . ?
Re1 Re2 Se6 Re3 -72.04(2) . . . . ?
Re1 Re2 Se6 Re3 -1.25(3) 2_454 . . . ?
P2 Re2 Se6 Re1 -144.33(6) . . . . ?
Se4 Re2 Se6 Re1 40.9(4) 2_454 . . . ?
Se7 Re2 Se6 Re1 -51.80(2) . . . . ?
Se5 Re2 Se6 Re1 124.03(3) 2_454 . . . ?
Re3 Re2 Se6 Re1 1.66(3) 2_454 . . . ?
Re3 Re2 Se6 Re1 72.04(2) . . . . ?
Re1 Re2 Se6 Re1 70.80(3) 2_454 . . . ?
P1 Re1 Se7 Re3 146.47(6) . . . 2_454 ?
Se6 Re1 Se7 Re3 -123.77(3) . . . 2_454 ?
Se4 Re1 Se7 Re3 -31.2(5) . . . 2_454 ?
Se5 Re1 Se7 Re3 52.20(3) . . . 2_454 ?
Re2 Re1 Se7 Re3 -71.695(19) . . . 2_454 ?
Re3 Re1 Se7 Re3 -70.23(3) . . . 2_454 ?
Re2 Re1 Se7 Re3 -1.09(3) 2_454 . . 2_454 ?
P1 Re1 Se7 Re2 -141.83(6) . . . . ?
Se6 Re1 Se7 Re2 -52.08(3) . . . . ?
Se4 Re1 Se7 Re2 40.5(5) . . . . ?
Se5 Re1 Se7 Re2 123.90(3) . . . . ?
Re3 Re1 Se7 Re2 1.47(3) . . . . ?
Re3 Re1 Se7 Re2 71.695(19) 2_454 . . . ?
Re2 Re1 Se7 Re2 70.60(3) 2_454 . . . ?
P2 Re2 Se7 Re1 145.80(6) . . . . ?
Se4 Re2 Se7 Re1 -124.07(3) 2_454 . . . ?
Se5 Re2 Se7 Re1 -35.1(4) 2_454 . . . ?
Se6 Re2 Se7 Re1 51.81(3) . . . . ?
Re3 Re2 Se7 Re1 -72.058(19) 2_454 . . . ?
Re3 Re2 Se7 Re1 -1.46(3) . . . . ?
Re1 Re2 Se7 Re1 -70.60(2) 2_454 . . . ?
P2 Re2 Se7 Re3 -142.14(6) . . . 2_454 ?
Se4 Re2 Se7 Re3 -52.02(3) 2_454 . . 2_454 ?
Se5 Re2 Se7 Re3 37.0(4) 2_454 . . 2_454 ?
Se6 Re2 Se7 Re3 123.87(3) . . . 2_454 ?
Re1 Re2 Se7 Re3 72.058(19) . . . 2_454 ?
Re3 Re2 Se7 Re3 70.60(3) . . . 2_454 ?
Re1 Re2 Se7 Re3 1.46(3) 2_454 . . 2_454 ?
Se4 Re2 P2 C22 167.5(4) 2_454 . . . ?
Se7 Re2 P2 C22 -102.3(4) . . . . ?
Se5 Re2 P2 C22 77.7(4) 2_454 . . . ?
Se6 Re2 P2 C22 -12.2(4) . . . . ?
Re3 Re2 P2 C22 -149.0(4) 2_454 . . . ?
Re1 Re2 P2 C22 -58.3(4) . . . . ?
Re3 Re2 P2 C22 34.4(4) . . . . ?
Re1 Re2 P2 C22 123.6(4) 2_454 . . . ?
Se4 Re2 P2 C23 -73.8(4) 2_454 . . . ?
Se7 Re2 P2 C23 16.4(4) . . . . ?
Se5 Re2 P2 C23 -163.5(4) 2_454 . . . ?
Se6 Re2 P2 C23 106.6(4) . . . . ?
Re3 Re2 P2 C23 -30.2(4) 2_454 . . . ?
Re1 Re2 P2 C23 60.5(4) . . . . ?
Re3 Re2 P2 C23 153.1(3) . . . . ?
Re1 Re2 P2 C23 -117.6(4) 2_454 . . . ?
Se4 Re2 P2 C21 46.8(4) 2_454 . . . ?
Se7 Re2 P2 C21 137.1(4) . . . . ?
Se5 Re2 P2 C21 -42.9(4) 2_454 . . . ?
Se6 Re2 P2 C21 -132.8(4) . . . . ?
Re3 Re2 P2 C21 90.4(4) 2_454 . . . ?
Re1 Re2 P2 C21 -178.9(3) . . . . ?
Re3 Re2 P2 C21 -86.2(4) . . . . ?
Re1 Re2 P2 C21 3.0(4) 2_454 . . . ?
Se7 Re1 P1 C12 -91.5(3) . . . . ?
Se6 Re1 P1 C12 178.2(3) . . . . ?
Se4 Re1 P1 C12 88.4(3) . . . . ?
Se5 Re1 P1 C12 -1.6(3) . . . . ?
Re2 Re1 P1 C12 -138.3(3) . . . . ?
Re3 Re1 P1 C12 134.6(3) . . . . ?
Re3 Re1 P1 C12 -48.0(4) 2_454 . . . ?
Re2 Re1 P1 C12 45.4(4) 2_454 . . . ?
Se7 Re1 P1 C13 147.6(4) . . . . ?
Se6 Re1 P1 C13 57.2(4) . . . . ?
Se4 Re1 P1 C13 -32.6(4) . . . . ?
Se5 Re1 P1 C13 -122.5(4) . . . . ?
Re2 Re1 P1 C13 100.8(4) . . . . ?
Re3 Re1 P1 C13 13.7(4) . . . . ?
Re3 Re1 P1 C13 -168.9(4) 2_454 . . . ?
Re2 Re1 P1 C13 -75.6(4) 2_454 . . . ?
Se7 Re1 P1 C11 24.7(4) . . . . ?
Se6 Re1 P1 C11 -65.7(4) . . . . ?
Se4 Re1 P1 C11 -155.5(4) . . . . ?
Se5 Re1 P1 C11 114.6(4) . . . . ?
Re2 Re1 P1 C11 -22.1(4) . . . . ?
Re3 Re1 P1 C11 -109.2(4) . . . . ?
Re3 Re1 P1 C11 68.2(4) 2_454 . . . ?
Re2 Re1 P1 C11 161.6(4) 2_454 . . . ?
Se6 Re3 N1 C1 -125.6(7) . . . . ?
Se5 Re3 N1 C1 144.2(7) 2_454 . . . ?
Se7 Re3 N1 C1 54.5(7) 2_454 . . . ?
Se4 Re3 N1 C1 -35.9(7) . . . . ?
Re2 Re3 N1 C1 8.3(8) 2_454 . . . ?
Re1 Re3 N1 C1 -82.2(7) . . . . ?
Re2 Re3 N1 C1 -169.7(6) . . . . ?
Re1 Re3 N1 C1 100.6(7) 2_454 . . . ?
Se6 Re3 N1 C5 47.8(6) . . . . ?
Se5 Re3 N1 C5 -42.3(6) 2_454 . . . ?
Se7 Re3 N1 C5 -132.1(6) 2_454 . . . ?
Se4 Re3 N1 C5 137.6(6) . . . . ?
Re2 Re3 N1 C5 -178.3(5) 2_454 . . . ?
Re1 Re3 N1 C5 91.2(6) . . . . ?
Re2 Re3 N1 C5 3.7(7) . . . . ?
Re1 Re3 N1 C5 -85.9(6) 2_454 . . . ?
C1 N1 C5 C4 -0.3(13) . . . . ?
Re3 N1 C5 C4 -174.2(7) . . . . ?
C5 N1 C1 C2 0.8(13) . . . . ?
Re3 N1 C1 C2 174.4(7) . . . . ?
C3 C2 C1 N1 -1.0(15) . . . . ?
C7 C2 C1 N1 -177.9(9) . . . . ?
N1 C5 C4 C3 0.0(14) . . . . ?
N1 C5 C4 C6 176.4(8) . . . . ?
O62 C6 C4 C3 -1.2(16) . . . . ?
O61 C6 C4 C3 -179.1(10) . . . . ?
O62 C6 C4 C5 -177.4(9) . . . . ?
O61 C6 C4 C5 4.6(14) . . . . ?
C5 C4 C3 C2 -0.2(14) . . . . ?
C6 C4 C3 C2 -176.5(9) . . . . ?
C1 C2 C3 C4 0.7(14) . . . . ?
C7 C2 C3 C4 177.5(9) . . . . ?
C12 P1 C13 C16 48.2(9) . . . . ?
C11 P1 C13 C16 -57.4(9) . . . . ?
Re1 P1 C13 C16 174.6(6) . . . . ?
C22 P2 C21 C24 52.7(9) . . . . ?
C23 P2 C21 C24 -53.3(9) . . . . ?
Re2 P2 C21 C24 179.7(6) . . . . ?
C13 P1 C12 C15 54.3(8) . . . . ?
C11 P1 C12 C15 164.5(8) . . . . ?
Re1 P1 C12 C15 -70.7(8) . . . . ?
C12 P1 C11 C14 -171.5(8) . . . . ?
C13 P1 C11 C14 -62.3(9) . . . . ?
Re1 P1 C11 C14 64.0(8) . . . . ?
C1 C2 C7 O72 6.1(15) . . . . ?
C3 C2 C7 O72 -170.7(9) . . . . ?
C1 C2 C7 O71 -176.9(9) . . . . ?
C3 C2 C7 O71 6.3(14) . . . . ?
C22 P2 C23 C26 -170.7(8) . . . . ?
C21 P2 C23 C26 -62.1(9) . . . . ?
Re2 P2 C23 C26 62.7(8) . . . . ?
C23 P2 C22 C25 167.5(8) . . . . ?
C21 P2 C22 C25 59.0(8) . . . . ?
Re2 P2 C22 C25 -65.8(8) . . . . ?
