#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/08/2200861.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2200861
loop_
_publ_author_name
'Egold, Hans'
'Flörke, Ulrich'
'Klose, Stefanie'
_publ_section_title
Octacarbonyl-μ-dicyclohexylphosphido-μ-N,N-diethyldithiocarbamato-dirhenium
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m116
_journal_page_last               m117
_journal_paper_doi               10.1107/S1600536802003094
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Re2 (C5 H10 N S2) (C12 H22 P) (C O)8]'
_chemical_formula_moiety         'C25 H32 N O8 P Re2 S2'
_chemical_formula_sum            'C25 H32 N O8 P Re2 S2'
_chemical_formula_weight         942.01
_chemical_name_systematic
;
Octacarbonyl-μ-N,N-diethyldithiocarbamato-μ-dicyclohexylphosphido-
dirhenium
;
_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                96.400(10)
_cell_angle_beta                 99.89(2)
_cell_angle_gamma                102.06(2)
_cell_formula_units_Z            2
_cell_length_a                   9.218(2)
_cell_length_b                   11.891(2)
_cell_length_c                   14.624(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      15.6
_cell_measurement_theta_min      7.3
_cell_volume                     1526.1(5)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Bruker, 1996)'
_computing_data_reduction        'SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full .992
_diffrn_measured_fraction_theta_max .992
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0526
_diffrn_reflns_av_sigmaI/netI    .0617
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8235
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.86
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 397
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.159
_exptl_absorpt_correction_T_max  .187
_exptl_absorpt_correction_T_min  .121
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.050
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .26
_exptl_crystal_size_min          .20
_refine_diff_density_max         1.246
_refine_diff_density_min         -1.040
_refine_ls_extinction_coef       .0038(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          .0784
_refine_ls_R_factor_gt           .0512
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0703P)²+15.7996P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .1346
_refine_ls_wR_factor_ref         .1491
_reflns_number_gt                5125
_reflns_number_total             6945
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cf6151.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               2200861
_cod_database_fobs_code          2200861
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Re1 .14111(5) .83672(4) .34918(3) .02840(15) Uani d . 1 . . Re
Re2 .40585(5) .67779(4) .17406(3) .03113(16) Uani d . 1 . . Re
S1 .3144(4) .7198(3) .4261(2) .0382(7) Uani d . 1 . . S
S2 .2363(4) .5410(3) .2482(2) .0389(7) Uani d . 1 . . S
P1 .2676(3) .8393(2) .20640(19) .0258(5) Uani d . 1 . . P
N1 .2285(11) .4928(8) .4170(7) .034(2) Uani d . 1 . . N
O1 .3588(13) 1.0643(9) .4676(8) .062(3) Uani d . 1 . . O
C1 .2847(14) .9797(11) .4202(9) .038(3) Uani d . 1 . . C
O2 -.0675(12) .9805(10) .2577(7) .057(3) Uani d . 1 . . O
C2 .0129(15) .9280(11) .2926(9) .041(3) Uani d . 1 . . C
O3 -.1033(11) .6059(9) .2734(7) .054(3) Uani d . 1 . . O
C3 -.0115(14) .6878(11) .2940(9) .038(3) Uani d . 1 . . C
O4 -.0247(13) .8515(11) .5146(7) .063(3) Uani d . 1 . . O
C4 .0393(14) .8405(12) .4551(9) .039(3) Uani d . 1 . . C
O5 .6601(11) .7622(9) .3552(8) .056(3) Uani d . 1 . . O
C5 .5615(14) .7350(10) .2921(10) .039(3) Uani d . 1 . . C
O6 .1860(12) .5530(9) -.0144(7) .056(3) Uani d . 1 . . O
C6 .2604(14) .6030(11) .0544(9) .037(3) Uani d . 1 . . C
O7 .5701(13) .4818(10) .1339(9) .072(3) Uani d . 1 . . O
C7 .5116(16) .5547(14) .1499(10) .050(3) Uani d . 1 . . C
O8 .5947(13) .8419(10) .0689(9) .066(3) Uani d . 1 . . O
C8 .5255(14) .7805(11) .1070(10) .042(3) Uani d . 1 . . C
C9 .2573(12) .5771(10) .3682(8) .031(2) Uani d . 1 . . C
C11 .4029(13) .9831(10) .2102(8) .032(2) Uani d . 1 . . C
H11 .4349 .9792 .1489 .038 Uiso calc R 1 . . H
C12 .5489(12) 1.0045(10) .2849(9) .035(3) Uani d . 1 . . C
H12A .5233 1.0075 .3473 .042 Uiso calc R 1 . . H
H12B .5971 .9392 .2756 .042 Uiso calc R 1 . . H
C13 .6600(14) 1.1167(11) .2809(10) .045(3) Uani d . 1 . . C
H13A .6995 1.1085 .2230 .054 Uiso calc R 1 . . H
H13B .7456 1.1310 .3341 .054 Uiso calc R 1 . . H
C14 .5869(15) 1.2209(10) .2837(11) .047(3) Uani d . 1 . . C
H14A .5618 1.2367 .3456 .056 Uiso calc R 1 . . H
H14B .6596 1.2898 .2748 .056 Uiso calc R 1 . . H
C15 .4455(15) 1.1999(11) .2091(10) .043(3) Uani d . 1 . . C
H15A .4718 1.1922 .1469 .051 Uiso calc R 1 . . H
H15B .3992 1.2667 .2154 .051 Uiso calc R 1 . . H
C16 .3320(12) 1.0893(10) .2177(9) .034(2) Uani d . 1 . . C
H16A .2419 1.0763 .1677 .041 Uiso calc R 1 . . H
H16B .3005 1.0991 .2782 .041 Uiso calc R 1 . . H
C21 .1244(13) .8439(11) .1002(7) .032(2) Uani d . 1 . . C
H21 .0868 .9145 .1152 .039 Uiso calc R 1 . . H
C22 .1907(13) .8603(11) .0126(8) .035(2) Uani d . 1 . . C
H22A .2425 .7979 .0000 .042 Uiso calc R 1 . . H
H22B .2665 .9343 .0250 .042 Uiso calc R 1 . . H
C23 .0721(16) .8598(12) -.0753(9) .045(3) Uani d . 1 . . C
H23A .0300 .9285 -.0670 .053 Uiso calc R 1 . . H
H23B .1204 .8633 -.1299 .053 Uiso calc R 1 . . H
C24 -.0550(14) .7499(12) -.0923(8) .040(3) Uani d . 1 . . C
H24A -.1295 .7501 -.1488 .048 Uiso calc R 1 . . H
H24B -.0135 .6811 -.1024 .048 Uiso calc R 1 . . H
C25 -.1294(14) .7449(12) -.0100(9) .042(3) Uani d . 1 . . C
H25A -.2133 .6757 -.0225 .050 Uiso calc R 1 . . H
H25B -.1715 .8135 -.0008 .050 Uiso calc R 1 . . H
C26 -.0166(12) .7405(10) .0813(8) .033(2) Uani d . 1 . . C
H26A -.0678 .7431 .1347 .039 Uiso calc R 1 . . H
H26B .0158 .6670 .0752 .039 Uiso calc R 1 . . H
C31 .2241(15) .5097(12) .5180(9) .042(3) Uani d . 1 . . C
H31A .1434 .4484 .5298 .051 Uiso calc R 1 . . H
H31B .1994 .5846 .5346 .051 Uiso calc R 1 . . H
C32 .3720(18) .5071(13) .5800(10) .052(4) Uani d . 1 . . C
H32A .3628 .5180 .6453 .077 Uiso calc R 1 . . H
H32B .4519 .5690 .5699 .077 Uiso calc R 1 . . H
H32C .3963 .4326 .5646 .077 Uiso calc R 1 . . H
C33 .1940(14) .3673(10) .3739(8) .036(3) Uani d . 1 . . C
H33A .2267 .3212 .4216 .043 Uiso calc R 1 . . H
H33B .2506 .3590 .3236 .043 Uiso calc R 1 . . H
C34 .0256(15) .3215(12) .3341(9) .044(3) Uani d . 1 . . C
H34A .0062 .2404 .3066 .067 Uiso calc R 1 . . H
H34B -.0065 .3664 .2863 .067 Uiso calc R 1 . . H
H34C -.0304 .3285 .3841 .067 Uiso calc R 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S .1246 .1234 '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'
N N .0061 .0033 '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_publ_flag
C2 Re1 C4 88.5(6) ?
C2 Re1 C1 90.4(5) ?
C4 Re1 C1 85.8(5) ?
C2 Re1 C3 92.1(5) ?
C4 Re1 C3 86.9(5) ?
C1 Re1 C3 172.3(5) ?
C2 Re1 S1 178.8(4) ?
C4 Re1 S1 91.4(4) ?
C1 Re1 S1 88.4(4) ?
C3 Re1 S1 89.1(4) ?
C2 Re1 P1 88.6(4) ?
C4 Re1 P1 177.0(4) ?
C1 Re1 P1 93.8(4) ?
C3 Re1 P1 93.6(4) ?
S1 Re1 P1 91.58(10) y
C8 Re2 C7 92.4(6) ?
C8 Re2 C5 90.7(6) ?
C7 Re2 C5 87.1(5) ?
C8 Re2 C6 90.8(6) ?
C7 Re2 C6 86.0(5) ?
C5 Re2 C6 172.9(5) ?
C8 Re2 S2 175.3(4) ?
C7 Re2 S2 88.1(5) ?
C5 Re2 S2 93.9(4) ?
C6 Re2 S2 84.6(4) ?
C8 Re2 P1 87.7(4) ?
C7 Re2 P1 179.8(4) ?
C5 Re2 P1 92.7(4) ?
C6 Re2 P1 94.2(3) ?
S2 Re2 P1 91.86(10) y
C9 S1 Re1 108.5(4) y
C9 S2 Re2 114.9(4) y
C21 P1 C11 98.8(5) ?
C21 P1 Re1 109.0(4) ?
C11 P1 Re1 111.9(4) ?
C21 P1 Re2 110.7(4) ?
C11 P1 Re2 107.9(4) ?
Re1 P1 Re2 117.03(11) y
C9 N1 C31 124.5(10) ?
C9 N1 C33 122.1(10) ?
C31 N1 C33 113.4(9) ?
O1 C1 Re1 173.2(11) ?
O2 C2 Re1 178.2(13) ?
O3 C3 Re1 171.2(11) ?
O4 C4 Re1 173.7(12) ?
O5 C5 Re2 172.9(11) ?
O6 C6 Re2 173.5(11) ?
O7 C7 Re2 178.2(13) ?
O8 C8 Re2 178.8(12) ?
N1 C9 S2 118.0(9) y
N1 C9 S1 118.9(9) y
S2 C9 S1 123.1(7) y
C12 C11 C16 110.3(9) ?
C12 C11 P1 113.9(8) ?
C16 C11 P1 114.7(8) ?
C12 C11 H11 105.7 ?
C16 C11 H11 105.7 ?
P1 C11 H11 105.7 ?
C13 C12 C11 112.3(10) ?
C13 C12 H12A 109.1 ?
C11 C12 H12A 109.1 ?
C13 C12 H12B 109.1 ?
C11 C12 H12B 109.1 ?
H12A C12 H12B 107.9 ?
C12 C13 C14 112.1(10) ?
C12 C13 H13A 109.2 ?
C14 C13 H13A 109.2 ?
C12 C13 H13B 109.2 ?
C14 C13 H13B 109.2 ?
H13A C13 H13B 107.9 ?
C15 C14 C13 112.0(11) ?
C15 C14 H14A 109.2 ?
C13 C14 H14A 109.2 ?
C15 C14 H14B 109.2 ?
C13 C14 H14B 109.2 ?
H14A C14 H14B 107.9 ?
C14 C15 C16 110.8(11) ?
C14 C15 H15A 109.5 ?
C16 C15 H15A 109.5 ?
C14 C15 H15B 109.5 ?
C16 C15 H15B 109.5 ?
H15A C15 H15B 108.1 ?
C15 C16 C11 110.7(9) ?
C15 C16 H16A 109.5 ?
C11 C16 H16A 109.5 ?
C15 C16 H16B 109.5 ?
C11 C16 H16B 109.5 ?
H16A C16 H16B 108.1 ?
C22 C21 C26 112.2(9) ?
C22 C21 P1 113.9(8) ?
C26 C21 P1 112.9(8) ?
C22 C21 H21 105.7 ?
C26 C21 H21 105.7 ?
P1 C21 H21 105.7 ?
C21 C22 C23 113.8(10) ?
C21 C22 H22A 108.8 ?
C23 C22 H22A 108.8 ?
C21 C22 H22B 108.8 ?
C23 C22 H22B 108.8 ?
H22A C22 H22B 107.7 ?
C24 C23 C22 110.4(10) ?
C24 C23 H23A 109.6 ?
C22 C23 H23A 109.6 ?
C24 C23 H23B 109.6 ?
C22 C23 H23B 109.6 ?
H23A C23 H23B 108.1 ?
C25 C24 C23 109.7(10) ?
C25 C24 H24A 109.7 ?
C23 C24 H24A 109.7 ?
C25 C24 H24B 109.7 ?
C23 C24 H24B 109.7 ?
H24A C24 H24B 108.2 ?
C24 C25 C26 111.8(10) ?
C24 C25 H25A 109.3 ?
C26 C25 H25A 109.3 ?
C24 C25 H25B 109.3 ?
C26 C25 H25B 109.3 ?
H25A C25 H25B 107.9 ?
C21 C26 C25 111.2(10) ?
C21 C26 H26A 109.4 ?
C25 C26 H26A 109.4 ?
C21 C26 H26B 109.4 ?
C25 C26 H26B 109.4 ?
H26A C26 H26B 108.0 ?
N1 C31 C32 112.8(11) ?
N1 C31 H31A 109.0 ?
C32 C31 H31A 109.0 ?
N1 C31 H31B 109.0 ?
C32 C31 H31B 109.0 ?
H31A C31 H31B 107.8 ?
C31 C32 H32A 109.5 ?
C31 C32 H32B 109.5 ?
H32A C32 H32B 109.5 ?
C31 C32 H32C 109.5 ?
H32A C32 H32C 109.5 ?
H32B C32 H32C 109.5 ?
N1 C33 C34 111.0(10) ?
N1 C33 H33A 109.4 ?
C34 C33 H33A 109.4 ?
N1 C33 H33B 109.4 ?
C34 C33 H33B 109.4 ?
H33A C33 H33B 108.0 ?
C33 C34 H34A 109.5 ?
C33 C34 H34B 109.5 ?
H34A C34 H34B 109.5 ?
C33 C34 H34C 109.5 ?
H34A C34 H34C 109.5 ?
H34B C34 H34C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Re1 C2 . 1.913(12) ?
Re1 C4 . 1.946(12) ?
Re1 C1 . 1.979(13) ?
Re1 C3 . 2.005(13) ?
Re1 S1 . 2.531(3) y
Re1 P1 . 2.561(3) y
Re2 C8 . 1.935(13) ?
Re2 C7 . 1.954(14) ?
Re2 C5 . 1.995(13) ?
Re2 C6 . 2.000(13) ?
Re2 S2 . 2.485(3) y
Re2 P1 . 2.562(3) y
S1 C9 . 1.740(12) y
S2 C9 . 1.727(12) y
P1 C21 . 1.871(11) ?
P1 C11 . 1.883(12) ?
N1 C9 . 1.303(15) ?
N1 C31 . 1.476(15) ?
N1 C33 . 1.500(15) ?
O1 C1 . 1.163(15) ?
O2 C2 . 1.155(15) ?
O3 C3 . 1.121(15) ?
O4 C4 . 1.142(15) ?
O5 C5 . 1.142(15) ?
O6 C6 . 1.138(15) ?
O7 C7 . 1.136(16) ?
O8 C8 . 1.127(15) ?
C11 C12 . 1.536(16) ?
C11 C16 . 1.540(15) ?
C11 H11 . .990 ?
C12 C13 . 1.517(16) ?
C12 H12A . .980 ?
C12 H12B . .980 ?
C13 C14 . 1.529(18) ?
C13 H13A . .980 ?
C13 H13B . .980 ?
C14 C15 . 1.505(19) ?
C14 H14A . .980 ?
C14 H14B . .980 ?
C15 C16 . 1.532(16) ?
C15 H15A . .980 ?
C15 H15B . .980 ?
C16 H16A . .980 ?
C16 H16B . .980 ?
C21 C22 . 1.525(15) ?
C21 C26 . 1.553(16) ?
C21 H21 . .990 ?
C22 C23 . 1.536(17) ?
C22 H22A . .980 ?
C22 H22B . .980 ?
C23 C24 . 1.527(19) ?
C23 H23A . .980 ?
C23 H23B . .980 ?
C24 C25 . 1.485(17) ?
C24 H24A . .980 ?
C24 H24B . .980 ?
C25 C26 . 1.559(16) ?
C25 H25A . .980 ?
C25 H25B . .980 ?
C26 H26A . .980 ?
C26 H26B . .980 ?
C31 C32 . 1.510(19) ?
C31 H31A . .980 ?
C31 H31B . .980 ?
C32 H32A . .970 ?
C32 H32B . .970 ?
C32 H32C . .970 ?
C33 C34 . 1.520(18) ?
C33 H33A . .980 ?
C33 H33B . .980 ?
C34 H34A . .970 ?
C34 H34B . .970 ?
C34 H34C . .970 ?
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
C4 Re1 S1 C9 106.2(6)
C1 Re1 S1 C9 -168.0(6)
C3 Re1 S1 C9 19.3(6)
P1 Re1 S1 C9 -74.3(4)
C7 Re2 S2 C9 111.3(6)
C5 Re2 S2 C9 24.4(5)
C6 Re2 S2 C9 -162.5(5)
P1 Re2 S2 C9 -68.5(4)
C2 Re1 P1 C21 -31.7(6)
C1 Re1 P1 C21 -122.1(6)
C3 Re1 P1 C21 60.3(6)
S1 Re1 P1 C21 149.5(4)
C2 Re1 P1 C11 76.5(6)
C1 Re1 P1 C11 -13.9(5)
C3 Re1 P1 C11 168.5(5)
S1 Re1 P1 C11 -102.3(4)
C2 Re1 P1 Re2 -158.2(4)
C1 Re1 P1 Re2 111.4(4)
C3 Re1 P1 Re2 -66.2(4)
S1 Re1 P1 Re2 22.96(12)
C8 Re2 P1 C21 78.1(6)
C5 Re2 P1 C21 168.7(5)
C6 Re2 P1 C21 -12.5(5)
S2 Re2 P1 C21 -97.2(4)
C8 Re2 P1 C11 -29.0(6)
C5 Re2 P1 C11 61.6(5)
C6 Re2 P1 C11 -119.6(5)
S2 Re2 P1 C11 155.7(4)
C8 Re2 P1 Re1 -156.3(4)
C5 Re2 P1 Re1 -65.6(4)
C6 Re2 P1 Re1 113.1(4)
S2 Re2 P1 Re1 28.42(12)
C31 N1 C9 S2 -172.7(9)
C33 N1 C9 S2 6.5(15)
C31 N1 C9 S1 7.2(16)
C33 N1 C9 S1 -173.7(8)
Re2 S2 C9 N1 -150.3(8)
Re2 S2 C9 S1 29.9(8)
Re1 S1 C9 N1 -126.1(8)
Re1 S1 C9 S2 53.7(8)
C21 P1 C11 C12 -173.7(8)
Re1 P1 C11 C12 71.7(9)
Re2 P1 C11 C12 -58.4(9)
C21 P1 C11 C16 58.0(9)
Re1 P1 C11 C16 -56.6(9)
Re2 P1 C11 C16 173.2(7)
C16 C11 C12 C13 -53.9(13)
P1 C11 C12 C13 175.6(9)
C11 C12 C13 C14 52.3(15)
C12 C13 C14 C15 -53.4(16)
C13 C14 C15 C16 56.1(15)
C14 C15 C16 C11 -57.9(14)
C12 C11 C16 C15 56.3(13)
P1 C11 C16 C15 -173.6(8)
C11 P1 C21 C22 56.2(10)
Re1 P1 C21 C22 173.1(8)
Re2 P1 C21 C22 -56.8(9)
C11 P1 C21 C26 -174.3(8)
Re1 P1 C21 C26 -57.4(8)
Re2 P1 C21 C26 72.7(8)
C26 C21 C22 C23 48.1(14)
P1 C21 C22 C23 178.0(9)
C21 C22 C23 C24 -54.0(14)
C22 C23 C24 C25 59.8(14)
C23 C24 C25 C26 -61.1(14)
C22 C21 C26 C25 -47.2(13)
P1 C21 C26 C25 -177.5(8)
C24 C25 C26 C21 54.9(14)
C9 N1 C31 C32 -95.6(14)
C33 N1 C31 C32 85.2(13)
C9 N1 C33 C34 -88.2(13)
C31 N1 C33 C34 91.0(12)
