#------------------------------------------------------------------------------
#$Date: 2015-04-02 14:22:18 +0300 (Thu, 02 Apr 2015) $
#$Revision: 134621 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/00/4300070.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_4300070
loop_
_publ_author_name
'Udo Brand'
'John R. Shapley'
_publ_section_title
;
Carbidohexarhenate Cluster Cores Bicapped by Mercury with Acetate or
Thiolate Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              32
_journal_page_last               36
_journal_paper_doi               10.1021/ic990722v
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C71 H46 Hg2 O22 P2 Re6'
_chemical_formula_weight         2831.40
_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
_cell_angle_alpha                113.2970(10)
_cell_angle_beta                 92.4060(10)
_cell_angle_gamma                110.7800(10)
_cell_formula_units_Z            1
_cell_length_a                   12.4969(3)
_cell_length_b                   12.8877(3)
_cell_length_c                   13.4070(3)
_cell_measurement_temperature    198(2)
_cell_volume                     1811.96(8)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω 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  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7877
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    14.315
_exptl_absorpt_correction_T_max  0.5823
_exptl_absorpt_correction_T_min  0.1202
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.595
_exptl_crystal_density_meas      ?
_exptl_crystal_description       tabular
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.942
_refine_diff_density_min         -1.878
_refine_diff_density_rms         0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.021
_refine_ls_goodness_of_fit_obs   1.011
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         4660
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_restrained_S_obs      1.011
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_obs          0.0339
_refine_ls_shift/esd_max         0.025
_refine_ls_shift/esd_mean        0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0270P)²+21.8772P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0850
_refine_ls_wR_factor_obs         0.0735
_reflns_number_observed          3966
_reflns_number_total             4715
_reflns_observed_criterion       >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0270P)^2^+21.8772P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0270P)^2^+21.8772P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1811.95(7)
_cod_database_code               4300070
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Hg1 Hg 0.25382(4) 0.25689(4) 0.07385(4) 0.03513(15) Uani 1 d . .
Re1 Re 0.15393(4) 0.04690(4) 0.11331(3) 0.02564(13) Uani 1 d . .
Re2 Re 0.01383(4) 0.18729(4) 0.07784(3) 0.02512(14) Uani 1 d . .
Re3 Re 0.10100(4) 0.03775(4) -0.11643(3) 0.02512(13) Uani 1 d . .
C C 0.0000 0.0000 0.0000 0.022(3) Uani 1 d S .
C11 C 0.2196(9) 0.1715(12) 0.2626(11) 0.035(3) Uani 1 d . .
O11 O 0.2581(7) 0.2458(8) 0.3553(7) 0.048(2) Uani 1 d . .
C12 C 0.1366(9) -0.0756(11) 0.1660(10) 0.032(3) Uani 1 d . .
O12 O 0.1312(7) -0.1446(8) 0.2024(7) 0.040(2) Uani 1 d . .
C13 C 0.3047(10) 0.0526(12) 0.0926(10) 0.040(3) Uani 1 d . .
O13 O 0.3970(8) 0.0511(10) 0.0800(8) 0.059(3) Uani 1 d . .
C21 C 0.0808(9) 0.3136(10) 0.2287(10) 0.030(3) Uani 1 d . .
O21 O 0.1160(8) 0.3900(8) 0.3174(7) 0.048(2) Uani 1 d . .
C22 C -0.1315(10) 0.1988(11) 0.0996(10) 0.036(3) Uani 1 d . .
O22 O -0.2180(8) 0.2119(8) 0.1141(8) 0.058(3) Uani 1 d . .
C23 C 0.0404(10) 0.3089(12) 0.0238(9) 0.036(3) Uani 1 d . .
O23 O 0.0510(8) 0.3841(8) -0.0067(7) 0.049(2) Uani 1 d . .
C31 C 0.0410(10) -0.0838(12) -0.2672(11) 0.036(3) Uani 1 d . .
O31 O 0.0121(7) -0.1542(8) -0.3611(7) 0.047(2) Uani 1 d . .
C32 C 0.1248(10) 0.1588(11) -0.1711(9) 0.033(3) Uani 1 d . .
O32 O 0.1375(9) 0.2289(9) -0.2089(8) 0.057(3) Uani 1 d . .
C33 C 0.2490(10) 0.0360(11) -0.1380(10) 0.035(3) Uani 1 d . .
O33 O 0.3392(8) 0.0295(9) -0.1547(8) 0.058(3) Uani 1 d . .
P1 P 0.7691(2) 0.2436(3) -0.4060(2) 0.0300(7) Uani 1 d . .
C1P C 0.9193(9) 0.3518(9) -0.3601(9) 0.026(2) Uani 1 d . .
C2P C 0.9788(11) 0.3837(11) -0.4359(10) 0.039(3) Uani 1 d . .
H2P H 0.9379(11) 0.3536(11) -0.5096(10) 0.046 Uiso 1 calc R .
C3P C 1.0986(10) 0.4600(10) -0.4042(10) 0.039(3) Uani 1 d . .
H3P H 1.1398(10) 0.4815(10) -0.4559(10) 0.047 Uiso 1 calc R .
C4P C 1.1548(10) 0.5028(11) -0.2976(10) 0.040(3) Uani 1 d . .
H4P H 1.2355(10) 0.5565(11) -0.2754(10) 0.048 Uiso 1 calc R .
C5P C 1.0989(10) 0.4712(11) -0.2202(10) 0.039(3) Uani 1 d . .
H5P H 1.1411(10) 0.5020(11) -0.1468(10) 0.047 Uiso 1 calc R .
C6P C 0.9800(10) 0.3936(11) -0.2514(10) 0.036(3) Uani 1 d . .
H6P H 0.9406(10) 0.3692(11) -0.2002(10) 0.043 Uiso 1 calc R .
C7P C 0.6867(9) 0.2727(11) -0.4973(10) 0.035(3) Uani 1 d . .
C8P C 0.6236(10) 0.3434(12) -0.4582(11) 0.043(3) Uani 1 d . .
H8P H 0.6251(10) 0.3800(12) -0.3809(11) 0.051 Uiso 1 calc R .
C9P C 0.5579(11) 0.3614(15) -0.5309(12) 0.055(4) Uani 1 d . .
H9P H 0.5154(11) 0.4112(15) -0.5036(12) 0.065 Uiso 1 calc R .
C10P C 0.5550(12) 0.3065(14) -0.6428(12) 0.055(4) Uani 1 d . .
H10P H 0.5085(12) 0.3178(14) -0.6923(12) 0.066 Uiso 1 calc R .
C11P C 0.6177(10) 0.2354(13) -0.6855(10) 0.045(3) Uani 1 d . .
H11P H 0.6154(10) 0.1986(13) -0.7630(10) 0.054 Uiso 1 calc R .
C12P C 0.6837(10) 0.2197(11) -0.6118(10) 0.037(3) Uani 1 d . .
H12P H 0.7281(10) 0.1719(11) -0.6392(10) 0.044 Uiso 1 calc R .
C13P C 0.7058(9) 0.2550(10) -0.2872(9) 0.030(3) Uani 1 d . .
C14P C 0.7188(11) 0.3693(12) -0.2043(10) 0.045(3) Uani 1 d . .
H14P H 0.7634(11) 0.4432(12) -0.2096(10) 0.054 Uiso 1 calc R .
C15P C 0.6662(12) 0.3747(14) -0.1140(11) 0.053(4) Uani 1 d . .
H15P H 0.6734(12) 0.4521(14) -0.0585(11) 0.064 Uiso 1 calc R .
C16P C 0.6039(12) 0.2679(15) -0.1053(12) 0.057(4) Uani 1 d . .
H16P H 0.5690(12) 0.2725(15) -0.0429(12) 0.069 Uiso 1 calc R .
C17P C 0.5911(11) 0.1542(13) -0.1856(12) 0.051(4) Uani 1 d . .
H17P H 0.5488(11) 0.0810(13) -0.1783(12) 0.062 Uiso 1 calc R .
C18P C 0.6402(10) 0.1483(12) -0.2756(10) 0.041(3) Uani 1 d . .
H18P H 0.6296(10) 0.0699(12) -0.3319(10) 0.049 Uiso 1 calc R .
C19P C 0.7619(10) 0.0906(11) -0.4770(9) 0.033(3) Uani 1 d . .
C20P C 0.8565(10) 0.0643(11) -0.4516(9) 0.035(3) Uani 1 d . .
H20P H 0.9283(10) 0.1294(11) -0.4051(9) 0.042 Uiso 1 calc R .
C21P C 0.8445(12) -0.0572(12) -0.4947(10) 0.044(3) Uani 1 d . .
H21P H 0.9080(12) -0.0747(12) -0.4757(10) 0.053 Uiso 1 calc R .
C22P C 0.7425(14) -0.1532(13) -0.5647(11) 0.055(4) Uani 1 d . .
H22P H 0.7359(14) -0.2360(13) -0.5940(11) 0.066 Uiso 1 calc R .
C23P C 0.6487(13) -0.1272(12) -0.5919(12) 0.059(4) Uani 1 d . .
H23P H 0.5778(13) -0.1921(12) -0.6405(12) 0.071 Uiso 1 calc R .
C24P C 0.6604(11) -0.0063(11) -0.5474(10) 0.045(3) Uani 1 d . .
H24P H 0.5964(11) 0.0109(11) -0.5658(10) 0.054 Uiso 1 calc R .
O1A O 0.4189(8) 0.3795(9) 0.0606(8) 0.058(3) Uani 1 d . .
O2A O 0.4259(10) 0.4541(10) 0.2369(9) 0.073(3) Uani 1 d . .
C1A C 0.4717(10) 0.4554(12) 0.1599(10) 0.035(3) Uani 1 d . .
C2A C 0.5910(12) 0.5526(14) 0.1739(13) 0.070(5) Uani 1 d . .
H2A1 H 0.5851(12) 0.5923(14) 0.1261(13) 0.105 Uiso 1 calc R .
H2A2 H 0.6463(12) 0.5136(14) 0.1531(13) 0.105 Uiso 1 calc R .
H2A3 H 0.6187(12) 0.6148(14) 0.2517(13) 0.105 Uiso 1 calc R .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
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'
Hg Hg -2.3894 9.2266 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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
O1A Hg1 O2A 51.4(3) . . ?
O1A Hg1 Re2 151.8(3) . . ?
O2A Hg1 Re2 124.0(2) . . ?
O1A Hg1 Re1 142.2(3) . . ?
O2A Hg1 Re1 116.2(2) . . ?
Re2 Hg1 Re1 65.97(2) . . ?
O1A Hg1 Re3 121.1(3) . . ?
O2A Hg1 Re3 170.5(2) . . ?
Re2 Hg1 Re3 65.478(15) . . ?
Re1 Hg1 Re3 65.39(2) . . ?
C13 Re1 C11 90.3(5) . . ?
C13 Re1 C12 88.6(5) . . ?
C11 Re1 C12 88.8(5) . . ?
C13 Re1 C 132.1(4) . . ?
C11 Re1 C 130.7(3) . . ?
C12 Re1 C 112.3(3) . . ?
C13 Re1 Hg1 76.8(4) . . ?
C11 Re1 Hg1 80.2(4) . . ?
C12 Re1 Hg1 161.5(3) . . ?
C Re1 Hg1 86.03(2) . . ?
C13 Re1 Re3 164.0(4) . 2 ?
C11 Re1 Re3 100.6(3) . 2 ?
C12 Re1 Re3 80.0(3) . 2 ?
C Re1 Re3 45.850(11) . 2 ?
Hg1 Re1 Re3 116.48(2) . 2 ?
C13 Re1 Re2 104.9(4) . 2 ?
C11 Re1 Re2 158.8(3) . 2 ?
C12 Re1 Re2 77.1(3) . 2 ?
C Re1 Re2 45.844(12) . 2 ?
Hg1 Re1 Re2 117.28(2) . 2 ?
Re3 Re1 Re2 61.735(14) 2 2 ?
C13 Re1 Re2 133.0(4) . . ?
C11 Re1 Re2 89.8(3) . . ?
C12 Re1 Re2 138.4(3) . . ?
C Re1 Re2 44.559(11) . . ?
Hg1 Re1 Re2 56.993(14) . . ?
Re3 Re1 Re2 59.488(14) 2 . ?
Re2 Re1 Re2 90.40(2) 2 . ?
C13 Re1 Re3 89.9(3) . . ?
C11 Re1 Re3 136.8(4) . . ?
C12 Re1 Re3 134.4(3) . . ?
C Re1 Re3 44.278(11) . . ?
Hg1 Re1 Re3 57.977(15) . . ?
Re3 Re1 Re3 90.13(2) 2 . ?
Re2 Re1 Re3 59.329(14) 2 . ?
Re2 Re1 Re3 60.064(14) . . ?
C22 Re2 C23 86.7(5) . . ?
C22 Re2 C21 87.6(5) . . ?
C23 Re2 C21 91.3(5) . . ?
C22 Re2 C 113.5(4) . . ?
C23 Re2 C 131.8(3) . . ?
C21 Re2 C 130.7(3) . . ?
C22 Re2 Hg1 160.6(4) . . ?
C23 Re2 Hg1 78.7(4) . . ?
C21 Re2 Hg1 80.2(3) . . ?
C Re2 Hg1 85.79(2) . . ?
C22 Re2 Re1 78.8(4) . 2 ?
C23 Re2 Re1 103.7(4) . 2 ?
C21 Re2 Re1 159.0(3) . 2 ?
C Re2 Re1 45.432(12) . 2 ?
Hg1 Re2 Re1 116.80(2) . 2 ?
C22 Re2 Re3 81.0(4) . 2 ?
C23 Re2 Re3 162.2(4) . 2 ?
C21 Re2 Re3 100.9(3) . 2 ?
C Re2 Re3 45.491(11) . 2 ?
Hg1 Re2 Re3 115.92(2) . 2 ?
Re1 Re2 Re3 61.459(14) 2 2 ?
C22 Re2 Re1 138.6(4) . . ?
C23 Re2 Re1 134.8(3) . . ?
C21 Re2 Re1 90.1(3) . . ?
C Re2 Re1 44.165(11) . . ?
Hg1 Re2 Re1 57.039(15) . . ?
Re1 Re2 Re1 89.60(2) 2 . ?
Re3 Re2 Re1 58.888(14) 2 . ?
C22 Re2 Re3 135.5(4) . . ?
C23 Re2 Re3 90.2(3) . . ?
C21 Re2 Re3 136.9(3) . . ?
C Re2 Re3 44.234(11) . . ?
Hg1 Re2 Re3 57.956(14) . . ?
Re1 Re2 Re3 58.892(13) 2 . ?
Re3 Re2 Re3 89.73(2) 2 . ?
Re1 Re2 Re3 59.972(14) . . ?
C33 Re3 C31 86.7(5) . . ?
C33 Re3 C32 91.0(5) . . ?
C31 Re3 C32 87.0(5) . . ?
C33 Re3 C 130.7(4) . . ?
C31 Re3 C 115.5(3) . . ?
C32 Re3 C 131.1(3) . . ?
C33 Re3 Hg1 78.7(4) . . ?
C31 Re3 Hg1 159.7(3) . . ?
C32 Re3 Hg1 79.3(3) . . ?
C Re3 Hg1 84.86(2) . . ?
C33 Re3 Re1 161.5(3) . 2 ?
C31 Re3 Re1 81.5(3) . 2 ?
C32 Re3 Re1 102.6(3) . 2 ?
C Re3 Re1 45.718(11) . 2 ?
Hg1 Re3 Re1 115.90(2) . 2 ?
C33 Re3 Re2 102.5(4) . 2 ?
C31 Re3 Re2 81.0(4) . 2 ?
C32 Re3 Re2 161.3(3) . 2 ?
C Re3 Re2 45.772(11) . 2 ?
Hg1 Re3 Re2 115.82(2) . 2 ?
Re1 Re3 Re2 61.624(14) 2 2 ?
C33 Re3 Re1 89.3(4) . . ?
C31 Re3 Re1 138.0(4) . . ?
C32 Re3 Re1 134.9(3) . . ?
C Re3 Re1 44.154(11) . . ?
Hg1 Re3 Re1 56.632(15) . . ?
Re1 Re3 Re1 89.87(2) 2 . ?
Re2 Re3 Re1 59.212(14) 2 . ?
C33 Re3 Re2 134.3(4) . . ?
C31 Re3 Re2 138.9(3) . . ?
C32 Re3 Re2 89.4(3) . . ?
C Re3 Re2 44.503(11) . . ?
Hg1 Re3 Re2 56.567(14) . . ?
Re1 Re3 Re2 59.374(14) 2 . ?
Re2 Re3 Re2 90.27(2) 2 . ?
Re1 Re3 Re2 59.964(14) . . ?
Re1 C Re1 180.0 . 2 ?
Re1 C Re3 88.43(2) . 2 ?
Re1 C Re3 91.57(2) 2 2 ?
Re1 C Re3 91.57(2) . . ?
Re1 C Re3 88.43(2) 2 . ?
Re3 C Re3 180.0 2 . ?
Re1 C Re2 91.28(2) . . ?
Re1 C Re2 88.72(2) 2 . ?
Re3 C Re2 88.74(2) 2 . ?
Re3 C Re2 91.26(2) . . ?
Re1 C Re2 88.72(2) . 2 ?
Re1 C Re2 91.28(2) 2 2 ?
Re3 C Re2 91.26(2) 2 2 ?
Re3 C Re2 88.74(2) . 2 ?
Re2 C Re2 180.0 . 2 ?
O11 C11 Re1 178.1(10) . . ?
O12 C12 Re1 176.3(10) . . ?
O13 C13 Re1 177.0(11) . . ?
O21 C21 Re2 176.6(10) . . ?
O22 C22 Re2 176.6(10) . . ?
O23 C23 Re2 175.9(10) . . ?
O31 C31 Re3 175.0(10) . . ?
O32 C32 Re3 177.2(10) . . ?
O33 C33 Re3 177.1(11) . . ?
C1P P1 C13P 108.7(5) . . ?
C1P P1 C19P 109.4(5) . . ?
C13P P1 C19P 108.5(5) . . ?
C1P P1 C7P 111.8(5) . . ?
C13P P1 C7P 109.2(5) . . ?
C19P P1 C7P 109.1(5) . . ?
C2P C1P C6P 120.1(10) . . ?
C2P C1P P1 119.4(8) . . ?
C6P C1P P1 120.1(8) . . ?
C1P C2P C3P 120.4(11) . . ?
C4P C3P C2P 118.5(11) . . ?
C3P C4P C5P 122.7(11) . . ?
C6P C5P C4P 119.2(11) . . ?
C5P C6P C1P 119.0(10) . . ?
C8P C7P C12P 118.8(11) . . ?
C8P C7P P1 121.6(9) . . ?
C12P C7P P1 119.6(9) . . ?
C7P C8P C9P 120.4(12) . . ?
C10P C9P C8P 119.4(13) . . ?
C11P C10P C9P 122.0(13) . . ?
C12P C11P C10P 117.8(12) . . ?
C11P C12P C7P 121.5(11) . . ?
C14P C13P C18P 118.2(11) . . ?
C14P C13P P1 121.3(9) . . ?
C18P C13P P1 120.4(9) . . ?
C13P C14P C15P 119.9(13) . . ?
C16P C15P C14P 120.0(13) . . ?
C15P C16P C17P 121.1(12) . . ?
C18P C17P C16P 119.1(13) . . ?
C17P C18P C13P 121.8(12) . . ?
C24P C19P C20P 118.4(11) . . ?
C24P C19P P1 121.6(9) . . ?
C20P C19P P1 119.6(9) . . ?
C19P C20P C21P 119.5(11) . . ?
C22P C21P C20P 121.5(12) . . ?
C21P C22P C23P 119.1(12) . . ?
C24P C23P C22P 119.1(13) . . ?
C23P C24P C19P 122.3(12) . . ?
C1A O1A Hg1 105.0(7) . . ?
C1A O2A Hg1 82.1(8) . . ?
O2A C1A O1A 121.4(12) . . ?
O2A C1A C2A 122.8(12) . . ?
O1A C1A C2A 115.6(11) . . ?
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
Hg1 O1A 2.174(9) . ?
Hg1 O2A 2.682(11) . ?
Hg1 Re2 2.8186(6) . ?
Hg1 Re1 2.8201(6) . ?
Hg1 Re3 2.8629(6) . ?
Re1 C13 1.897(12) . ?
Re1 C11 1.909(13) . ?
Re1 C12 1.922(13) . ?
Re1 C 2.1393(4) . ?
Re1 Re3 2.9871(6) 2 ?
Re1 Re2 3.0022(6) 2 ?
Re1 Re2 3.0698(6) . ?
Re1 Re3 3.0700(6) . ?
Re2 C22 1.899(11) . ?
Re2 C23 1.908(12) . ?
Re2 C21 1.930(12) . ?
Re2 C 2.1544(4) . ?
Re2 Re1 3.0022(6) 2 ?
Re2 Re3 3.0058(6) 2 ?
Re2 Re3 3.0729(6) . ?
Re3 C33 1.891(12) . ?
Re3 C31 1.907(13) . ?
Re3 C32 1.912(13) . ?
Re3 C 2.1441(4) . ?
Re3 Re1 2.9871(6) 2 ?
Re3 Re2 3.0058(6) 2 ?
C Re1 2.1393(4) 2 ?
C Re3 2.1441(4) 2 ?
C Re2 2.1544(4) 2 ?
C11 O11 1.172(14) . ?
C12 O12 1.156(13) . ?
C13 O13 1.178(14) . ?
C21 O21 1.140(13) . ?
C22 O22 1.165(13) . ?
C23 O23 1.162(14) . ?
C31 O31 1.167(14) . ?
C32 O32 1.168(14) . ?
C33 O33 1.183(13) . ?
P1 C1P 1.792(10) . ?
P1 C13P 1.785(11) . ?
P1 C19P 1.785(12) . ?
P1 C7P 1.798(12) . ?
C1P C2P 1.39(2) . ?
C1P C6P 1.41(2) . ?
C2P C3P 1.40(2) . ?
C3P C4P 1.36(2) . ?
C4P C5P 1.39(2) . ?
C5P C6P 1.39(2) . ?
C7P C8P 1.38(2) . ?
C7P C12P 1.41(2) . ?
C8P C9P 1.39(2) . ?
C9P C10P 1.37(2) . ?
C10P C11P 1.38(2) . ?
C11P C12P 1.38(2) . ?
C13P C14P 1.40(2) . ?
C13P C18P 1.40(2) . ?
C14P C15P 1.39(2) . ?
C15P C16P 1.37(2) . ?
C16P C17P 1.38(2) . ?
C17P C18P 1.36(2) . ?
C19P C24P 1.38(2) . ?
C19P C20P 1.40(2) . ?
C20P C21P 1.39(2) . ?
C21P C22P 1.38(2) . ?
C22P C23P 1.40(2) . ?
C23P C24P 1.38(2) . ?
O1A C1A 1.266(14) . ?
O2A C1A 1.204(14) . ?
C1A C2A 1.51(2) . ?
