# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_111227a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        cis-2a
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H18 O6 Re2 Si2'
_chemical_formula_weight         782.92

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.173(2)
_cell_length_b                   9.475(3)
_cell_length_c                   18.023(5)
_cell_angle_alpha                100.660(5)
_cell_angle_beta                 98.400(4)
_cell_angle_gamma                102.954(5)
_cell_volume                     1150.4(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2467
_cell_measurement_theta_min      0.00
_cell_measurement_theta_max      0.00

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    2.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             728
_exptl_absorpt_coefficient_mu    10.650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2501
_exptl_absorpt_correction_T_max  0.4156
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5801
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.17
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3992
_reflns_number_gt                3275
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0520P)²+52.6312P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3992
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0599
_refine_ls_wR_factor_ref         0.1664
_refine_ls_wR_factor_gt          0.1608
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.59645(10) 0.71539(8) 0.37320(4) 0.0359(2) Uani 1 1 d . . .
Re2 Re 0.17935(11) 0.21205(8) 0.13313(4) 0.0390(2) Uani 1 1 d . . .
Si1 Si 0.6042(7) 0.5392(5) 0.1651(3) 0.0350(11) Uani 1 1 d . . .
Si2 Si 0.5730(8) 0.3008(6) 0.3081(3) 0.0387(11) Uani 1 1 d . . .
O1 O -0.163(3) -0.036(2) 0.1509(16) 0.111(8) Uani 1 1 d . . .
O2 O -0.100(3) 0.262(2) 0.0010(10) 0.076(5) Uani 1 1 d . . .
O3 O 0.071(3) 0.4453(19) 0.2499(10) 0.070(5) Uani 1 1 d . . .
O4 O 0.306(3) 0.847(2) 0.2842(11) 0.075(5) Uani 1 1 d . . .
O5 O 0.713(3) 0.998(2) 0.5013(12) 0.100(7) Uani 1 1 d . . .
O6 O 0.281(3) 0.574(2) 0.4540(11) 0.074(5) Uani 1 1 d . . .
C1 C 0.510(3) 0.332(2) 0.1460(9) 0.038(4) Uani 1 1 d . . .
C2 C 0.491(3) 0.2368(19) 0.1988(10) 0.037(4) Uani 1 1 d . . .
C3 C 0.418(3) 0.090(2) 0.1604(12) 0.049(5) Uani 1 1 d . . .
H3 H 0.3918 0.0090 0.1831 0.058 Uiso 1 1 calc R . .
C4 C 0.388(3) 0.084(2) 0.0780(16) 0.060(6) Uani 1 1 d . . .
H4 H 0.3431 -0.0013 0.0387 0.073 Uiso 1 1 calc R . .
C5 C 0.439(3) 0.233(2) 0.0690(12) 0.046(5) Uani 1 1 d . . .
H5 H 0.4301 0.2623 0.0224 0.056 Uiso 1 1 calc R . .
C6 C 0.417(3) 0.635(2) 0.1309(12) 0.052(5) Uani 1 1 d . . .
H6A H 0.3095 0.6157 0.1570 0.078 Uiso 1 1 calc R . .
H6B H 0.3709 0.5989 0.0764 0.078 Uiso 1 1 calc R . .
H6C H 0.4746 0.7405 0.1420 0.078 Uiso 1 1 calc R . .
C7 C 0.809(3) 0.581(2) 0.1130(12) 0.053(5) Uani 1 1 d . . .
H7A H 0.8619 0.6867 0.1230 0.080 Uiso 1 1 calc R . .
H7B H 0.7616 0.5424 0.0587 0.080 Uiso 1 1 calc R . .
H7C H 0.9089 0.5356 0.1305 0.080 Uiso 1 1 calc R . .
C8 C 0.708(2) 0.5963(19) 0.2690(10) 0.033(4) Uani 1 1 d . . .
C9 C 0.696(3) 0.503(2) 0.3270(10) 0.037(4) Uani 1 1 d . . .
C10 C 0.828(3) 0.587(2) 0.3953(11) 0.046(5) Uani 1 1 d . . .
H10 H 0.8514 0.5562 0.4412 0.055 Uiso 1 1 calc R . .
C11 C 0.914(3) 0.723(2) 0.3809(14) 0.055(6) Uani 1 1 d . . .
H11 H 1.0054 0.7981 0.4176 0.066 Uiso 1 1 calc R . .
C12 C 0.852(3) 0.735(2) 0.3078(12) 0.047(5) Uani 1 1 d . . .
H12 H 0.8944 0.8162 0.2867 0.056 Uiso 1 1 calc R . .
C13 C 0.369(3) 0.253(2) 0.3576(11) 0.056(6) Uani 1 1 d . . .
H13A H 0.3106 0.1476 0.3424 0.084 Uiso 1 1 calc R . .
H13B H 0.2732 0.3048 0.3440 0.084 Uiso 1 1 calc R . .
H13C H 0.4162 0.2808 0.4123 0.084 Uiso 1 1 calc R . .
C14 C 0.756(3) 0.205(3) 0.3379(15) 0.065(7) Uani 1 1 d . . .
H14A H 0.7745 0.2142 0.3926 0.098 Uiso 1 1 calc R . .
H14B H 0.8771 0.2489 0.3246 0.098 Uiso 1 1 calc R . .
H14C H 0.7123 0.1019 0.3123 0.098 Uiso 1 1 calc R . .
C15 C -0.027(3) 0.059(2) 0.1459(16) 0.062(6) Uani 1 1 d . . .
C16 C 0.006(3) 0.243(3) 0.0505(13) 0.056(6) Uani 1 1 d . . .
C17 C 0.105(3) 0.354(2) 0.2044(12) 0.046(5) Uani 1 1 d . . .
C18 C 0.408(3) 0.795(2) 0.3155(12) 0.049(5) Uani 1 1 d . . .
C19 C 0.660(3) 0.890(3) 0.4523(13) 0.059(6) Uani 1 1 d . . .
C20 C 0.395(3) 0.628(2) 0.4211(12) 0.047(5) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C19 1.89(2) . ?
Re1 C20 1.90(2) . ?
Re1 C18 1.95(2) . ?
Re1 C11 2.25(2) . ?
Re1 C10 2.300(19) . ?
Re1 C12 2.314(18) . ?
Re1 C9 2.335(18) . ?
Re1 C8 2.344(16) . ?
Re2 C15 1.90(2) . ?
Re2 C16 1.91(3) . ?
Re2 C17 1.91(2) . ?
Re2 C3 2.31(2) . ?
Re2 C2 2.312(19) . ?
Re2 C5 2.324(18) . ?
Re2 C1 2.345(18) . ?
Re2 C4 2.34(2) . ?
Si1 C8 1.841(19) . ?
Si1 C7 1.86(2) . ?
Si1 C1 1.873(19) . ?
Si1 C6 1.88(2) . ?
Si2 C14 1.83(2) . ?
Si2 C13 1.84(2) . ?
Si2 C9 1.866(19) . ?
Si2 C2 1.912(19) . ?
O1 C15 1.20(3) . ?
O2 C16 1.15(3) . ?
O3 C17 1.17(3) . ?
O4 C18 1.12(2) . ?
O5 C19 1.17(3) . ?
O6 C20 1.16(2) . ?
C1 C2 1.43(2) . ?
C1 C5 1.47(3) . ?
C2 C3 1.38(3) . ?
C3 C4 1.46(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.42(3) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C12 1.46(3) . ?
C8 C9 1.49(2) . ?
C9 C10 1.41(3) . ?
C10 C11 1.39(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.36(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?

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
C19 Re1 C20 89.5(9) . . ?
C19 Re1 C18 89.2(10) . . ?
C20 Re1 C18 88.5(9) . . ?
C19 Re1 C11 90.7(9) . . ?
C20 Re1 C11 135.4(9) . . ?
C18 Re1 C11 136.2(8) . . ?
C19 Re1 C10 108.3(9) . . ?
C20 Re1 C10 103.3(8) . . ?
C18 Re1 C10 158.7(8) . . ?
C11 Re1 C10 35.6(7) . . ?
C19 Re1 C12 106.4(8) . . ?
C20 Re1 C12 159.4(8) . . ?
C18 Re1 C12 104.4(8) . . ?
C11 Re1 C12 34.7(8) . . ?
C10 Re1 C12 59.8(7) . . ?
C19 Re1 C9 143.8(9) . . ?
C20 Re1 C9 98.9(8) . . ?
C18 Re1 C9 125.9(7) . . ?
C11 Re1 C9 58.8(7) . . ?
C10 Re1 C9 35.5(6) . . ?
C12 Re1 C9 60.6(7) . . ?
C19 Re1 C8 142.8(8) . . ?
C20 Re1 C8 126.8(8) . . ?
C18 Re1 C8 98.3(7) . . ?
C11 Re1 C8 59.1(7) . . ?
C10 Re1 C8 60.5(7) . . ?
C12 Re1 C8 36.5(7) . . ?
C9 Re1 C8 37.1(6) . . ?
C15 Re2 C16 88.7(10) . . ?
C15 Re2 C17 90.1(9) . . ?
C16 Re2 C17 90.4(9) . . ?
C15 Re2 C3 94.5(9) . . ?
C16 Re2 C3 142.8(8) . . ?
C17 Re2 C3 126.6(8) . . ?
C15 Re2 C2 118.4(9) . . ?
C16 Re2 C2 151.1(8) . . ?
C17 Re2 C2 99.0(7) . . ?
C3 Re2 C2 34.7(7) . . ?
C15 Re2 C5 137.9(9) . . ?
C16 Re2 C5 93.9(9) . . ?
C17 Re2 C5 131.8(8) . . ?
C3 Re2 C5 60.0(7) . . ?
C2 Re2 C5 59.7(7) . . ?
C15 Re2 C1 153.2(9) . . ?
C16 Re2 C1 115.8(8) . . ?
C17 Re2 C1 99.9(7) . . ?
C3 Re2 C1 59.6(7) . . ?
C2 Re2 C1 35.7(6) . . ?
C5 Re2 C1 36.8(6) . . ?
C15 Re2 C4 104.1(8) . . ?
C16 Re2 C4 107.0(9) . . ?
C17 Re2 C4 157.5(9) . . ?
C3 Re2 C4 36.5(8) . . ?
C2 Re2 C4 59.1(8) . . ?
C5 Re2 C4 35.5(7) . . ?
C1 Re2 C4 60.0(7) . . ?
C8 Si1 C7 107.6(9) . . ?
C8 Si1 C1 104.5(8) . . ?
C7 Si1 C1 108.0(9) . . ?
C8 Si1 C6 115.1(9) . . ?
C7 Si1 C6 107.7(10) . . ?
C1 Si1 C6 113.6(10) . . ?
C14 Si2 C13 108.3(11) . . ?
C14 Si2 C9 107.9(10) . . ?
C13 Si2 C9 115.4(10) . . ?
C14 Si2 C2 107.8(10) . . ?
C13 Si2 C2 111.6(9) . . ?
C9 Si2 C2 105.6(8) . . ?
C2 C1 C5 105.3(16) . . ?
C2 C1 Si1 129.9(13) . . ?
C5 C1 Si1 124.8(14) . . ?
C2 C1 Re2 70.9(10) . . ?
C5 C1 Re2 70.9(10) . . ?
Si1 C1 Re2 123.2(9) . . ?
C3 C2 C1 111.1(17) . . ?
C3 C2 Si2 123.8(14) . . ?
C1 C2 Si2 125.0(13) . . ?
C3 C2 Re2 72.7(12) . . ?
C1 C2 Re2 73.4(11) . . ?
Si2 C2 Re2 124.3(8) . . ?
C2 C3 C4 108.0(18) . . ?
C2 C3 Re2 72.6(11) . . ?
C4 C3 Re2 72.9(12) . . ?
C2 C3 H3 126.0 . . ?
C4 C3 H3 126.0 . . ?
Re2 C3 H3 120.3 . . ?
C5 C4 C3 107.3(19) . . ?
C5 C4 Re2 71.5(11) . . ?
C3 C4 Re2 70.7(11) . . ?
C5 C4 H4 126.3 . . ?
C3 C4 H4 126.3 . . ?
Re2 C4 H4 123.1 . . ?
C4 C5 C1 108.2(19) . . ?
C4 C5 Re2 73.0(11) . . ?
C1 C5 Re2 72.4(10) . . ?
C4 C5 H5 125.9 . . ?
C1 C5 H5 125.9 . . ?
Re2 C5 H5 120.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C12 C8 C9 105.4(16) . . ?
C12 C8 Si1 125.6(13) . . ?
C9 C8 Si1 127.9(13) . . ?
C12 C8 Re1 70.6(10) . . ?
C9 C8 Re1 71.1(9) . . ?
Si1 C8 Re1 131.8(8) . . ?
C10 C9 C8 107.4(16) . . ?
C10 C9 Si2 125.1(14) . . ?
C8 C9 Si2 126.4(13) . . ?
C10 C9 Re1 70.9(11) . . ?
C8 C9 Re1 71.8(9) . . ?
Si2 C9 Re1 132.1(10) . . ?
C11 C10 C9 107.0(17) . . ?
C11 C10 Re1 70.2(11) . . ?
C9 C10 Re1 73.6(10) . . ?
C11 C10 H10 126.5 . . ?
C9 C10 H10 126.5 . . ?
Re1 C10 H10 121.5 . . ?
C12 C11 C10 113.4(18) . . ?
C12 C11 Re1 75.3(12) . . ?
C10 C11 Re1 74.3(11) . . ?
C12 C11 H11 123.3 . . ?
C10 C11 H11 123.3 . . ?
Re1 C11 H11 118.5 . . ?
C11 C12 C8 106.8(17) . . ?
C11 C12 Re1 70.0(12) . . ?
C8 C12 Re1 72.9(10) . . ?
C11 C12 H12 126.6 . . ?
C8 C12 H12 126.6 . . ?
Re1 C12 H12 122.3 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 Re2 177(3) . . ?
O2 C16 Re2 179(2) . . ?
O3 C17 Re2 175.9(18) . . ?
O4 C18 Re1 177(2) . . ?
O5 C19 Re1 175(2) . . ?
O6 C20 Re1 175(2) . . ?

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
C8 Si1 C1 C2 9(2) . . . . ?
C7 Si1 C1 C2 123.0(18) . . . . ?
C6 Si1 C1 C2 -117.6(19) . . . . ?
C8 Si1 C1 C5 -170.5(16) . . . . ?
C7 Si1 C1 C5 -56.2(19) . . . . ?
C6 Si1 C1 C5 63.2(19) . . . . ?
C8 Si1 C1 Re2 100.8(10) . . . . ?
C7 Si1 C1 Re2 -144.9(10) . . . . ?
C6 Si1 C1 Re2 -25.5(13) . . . . ?
C15 Re2 C1 C2 -19(2) . . . . ?
C16 Re2 C1 C2 -173.1(11) . . . . ?
C17 Re2 C1 C2 91.6(11) . . . . ?
C3 Re2 C1 C2 -35.2(10) . . . . ?
C5 Re2 C1 C2 -114.6(16) . . . . ?
C4 Re2 C1 C2 -77.6(12) . . . . ?
C15 Re2 C1 C5 96(2) . . . . ?
C16 Re2 C1 C5 -58.5(14) . . . . ?
C17 Re2 C1 C5 -153.8(12) . . . . ?
C3 Re2 C1 C5 79.4(12) . . . . ?
C2 Re2 C1 C5 114.6(16) . . . . ?
C4 Re2 C1 C5 37.0(12) . . . . ?
C15 Re2 C1 Si1 -144.6(19) . . . . ?
C16 Re2 C1 Si1 61.1(12) . . . . ?
C17 Re2 C1 Si1 -34.1(11) . . . . ?
C3 Re2 C1 Si1 -160.9(12) . . . . ?
C2 Re2 C1 Si1 -125.7(15) . . . . ?
C5 Re2 C1 Si1 119.7(16) . . . . ?
C4 Re2 C1 Si1 156.6(14) . . . . ?
C5 C1 C2 C3 0(2) . . . . ?
Si1 C1 C2 C3 -178.9(15) . . . . ?
Re2 C1 C2 C3 63.4(15) . . . . ?
C5 C1 C2 Si2 176.5(13) . . . . ?
Si1 C1 C2 Si2 -3(3) . . . . ?
Re2 C1 C2 Si2 -120.6(14) . . . . ?
C5 C1 C2 Re2 -62.9(13) . . . . ?
Si1 C1 C2 Re2 117.7(16) . . . . ?
C14 Si2 C2 C3 55.7(19) . . . . ?
C13 Si2 C2 C3 -63.1(19) . . . . ?
C9 Si2 C2 C3 170.8(16) . . . . ?
C14 Si2 C2 C1 -119.9(17) . . . . ?
C13 Si2 C2 C1 121.4(17) . . . . ?
C9 Si2 C2 C1 -4.8(18) . . . . ?
C14 Si2 C2 Re2 147.0(11) . . . . ?
C13 Si2 C2 Re2 28.2(14) . . . . ?
C9 Si2 C2 Re2 -97.9(11) . . . . ?
C15 Re2 C2 C3 51.3(15) . . . . ?
C16 Re2 C2 C3 -106.3(18) . . . . ?
C17 Re2 C2 C3 146.3(12) . . . . ?
C5 Re2 C2 C3 -80.0(12) . . . . ?
C1 Re2 C2 C3 -119.1(16) . . . . ?
C4 Re2 C2 C3 -38.6(11) . . . . ?
C15 Re2 C2 C1 170.5(12) . . . . ?
C16 Re2 C2 C1 13(2) . . . . ?
C17 Re2 C2 C1 -94.5(11) . . . . ?
C3 Re2 C2 C1 119.1(15) . . . . ?
C5 Re2 C2 C1 39.1(10) . . . . ?
C4 Re2 C2 C1 80.5(11) . . . . ?
C15 Re2 C2 Si2 -68.2(13) . . . . ?
C16 Re2 C2 Si2 134.2(15) . . . . ?
C17 Re2 C2 Si2 26.8(12) . . . . ?
C3 Re2 C2 Si2 -119.5(16) . . . . ?
C5 Re2 C2 Si2 160.4(13) . . . . ?
C1 Re2 C2 Si2 121.4(15) . . . . ?
C4 Re2 C2 Si2 -158.1(13) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
Si2 C2 C3 C4 -175.1(14) . . . . ?
Re2 C2 C3 C4 64.8(14) . . . . ?
C1 C2 C3 Re2 -63.8(14) . . . . ?
Si2 C2 C3 Re2 120.1(14) . . . . ?
C15 Re2 C3 C2 -136.5(13) . . . . ?
C16 Re2 C3 C2 129.8(15) . . . . ?
C17 Re2 C3 C2 -43.0(15) . . . . ?
C5 Re2 C3 C2 79.1(12) . . . . ?
C1 Re2 C3 C2 36.3(10) . . . . ?
C4 Re2 C3 C2 115.8(17) . . . . ?
C15 Re2 C3 C4 107.8(14) . . . . ?
C16 Re2 C3 C4 14(2) . . . . ?
C17 Re2 C3 C4 -158.8(12) . . . . ?
C2 Re2 C3 C4 -115.8(17) . . . . ?
C5 Re2 C3 C4 -36.7(12) . . . . ?
C1 Re2 C3 C4 -79.5(12) . . . . ?
C2 C3 C4 C5 -2(2) . . . . ?
Re2 C3 C4 C5 62.5(14) . . . . ?
C2 C3 C4 Re2 -64.6(14) . . . . ?
C15 Re2 C4 C5 165.0(15) . . . . ?
C16 Re2 C4 C5 72.0(15) . . . . ?
C17 Re2 C4 C5 -67(3) . . . . ?
C3 Re2 C4 C5 -116.7(19) . . . . ?
C2 Re2 C4 C5 -80.1(14) . . . . ?
C1 Re2 C4 C5 -38.4(12) . . . . ?
C15 Re2 C4 C3 -78.2(15) . . . . ?
C16 Re2 C4 C3 -171.2(13) . . . . ?
C17 Re2 C4 C3 50(3) . . . . ?
C2 Re2 C4 C3 36.7(12) . . . . ?
C5 Re2 C4 C3 116.7(19) . . . . ?
C1 Re2 C4 C3 78.4(13) . . . . ?
C3 C4 C5 C1 2(2) . . . . ?
Re2 C4 C5 C1 64.3(13) . . . . ?
C3 C4 C5 Re2 -62.0(14) . . . . ?
C2 C1 C5 C4 -2(2) . . . . ?
Si1 C1 C5 C4 177.6(14) . . . . ?
Re2 C1 C5 C4 -64.7(14) . . . . ?
C2 C1 C5 Re2 63.0(12) . . . . ?
Si1 C1 C5 Re2 -117.7(15) . . . . ?
C15 Re2 C5 C4 -22(2) . . . . ?
C16 Re2 C5 C4 -114.3(15) . . . . ?
C17 Re2 C5 C4 151.8(15) . . . . ?
C3 Re2 C5 C4 37.8(14) . . . . ?
C2 Re2 C5 C4 78.1(15) . . . . ?
C1 Re2 C5 C4 116.1(19) . . . . ?
C15 Re2 C5 C1 -138.0(15) . . . . ?
C16 Re2 C5 C1 129.7(13) . . . . ?
C17 Re2 C5 C1 35.7(16) . . . . ?
C3 Re2 C5 C1 -78.3(12) . . . . ?
C2 Re2 C5 C1 -37.9(11) . . . . ?
C4 Re2 C5 C1 -116.1(19) . . . . ?
C7 Si1 C8 C12 44.3(18) . . . . ?
C1 Si1 C8 C12 158.9(15) . . . . ?
C6 Si1 C8 C12 -75.8(17) . . . . ?
C7 Si1 C8 C9 -122.0(16) . . . . ?
C1 Si1 C8 C9 -7.4(17) . . . . ?
C6 Si1 C8 C9 118.0(16) . . . . ?
C7 Si1 C8 Re1 139.5(12) . . . . ?
C1 Si1 C8 Re1 -105.8(12) . . . . ?
C6 Si1 C8 Re1 19.5(15) . . . . ?
C19 Re1 C8 C12 3(2) . . . . ?
C20 Re1 C8 C12 -162.7(12) . . . . ?
C18 Re1 C8 C12 103.0(12) . . . . ?
C11 Re1 C8 C12 -36.7(11) . . . . ?
C10 Re1 C8 C12 -78.0(12) . . . . ?
C9 Re1 C8 C12 -114.7(15) . . . . ?
C19 Re1 C8 C9 118.0(16) . . . . ?
C20 Re1 C8 C9 -48.0(14) . . . . ?
C18 Re1 C8 C9 -142.3(11) . . . . ?
C11 Re1 C8 C9 78.0(11) . . . . ?
C10 Re1 C8 C9 36.6(10) . . . . ?
C12 Re1 C8 C9 114.7(15) . . . . ?
C19 Re1 C8 Si1 -117.6(17) . . . . ?
C20 Re1 C8 Si1 76.5(14) . . . . ?
C18 Re1 C8 Si1 -17.8(13) . . . . ?
C11 Re1 C8 Si1 -157.6(15) . . . . ?
C10 Re1 C8 Si1 161.1(14) . . . . ?
C12 Re1 C8 Si1 -120.9(17) . . . . ?
C9 Re1 C8 Si1 124.5(17) . . . . ?
C12 C8 C9 C10 0(2) . . . . ?
Si1 C8 C9 C10 168.9(14) . . . . ?
Re1 C8 C9 C10 -62.3(13) . . . . ?
C12 C8 C9 Si2 -167.9(14) . . . . ?
Si1 C8 C9 Si2 1(2) . . . . ?
Re1 C8 C9 Si2 129.4(14) . . . . ?
C12 C8 C9 Re1 62.7(11) . . . . ?
Si1 C8 C9 Re1 -128.8(13) . . . . ?
C14 Si2 C9 C10 -45(2) . . . . ?
C13 Si2 C9 C10 76(2) . . . . ?
C2 Si2 C9 C10 -160.4(17) . . . . ?
C14 Si2 C9 C8 120.9(17) . . . . ?
C13 Si2 C9 C8 -117.8(16) . . . . ?
C2 Si2 C9 C8 5.9(18) . . . . ?
C14 Si2 C9 Re1 -140.9(13) . . . . ?
C13 Si2 C9 Re1 -19.6(16) . . . . ?
C2 Si2 C9 Re1 104.1(12) . . . . ?
C19 Re1 C9 C10 1(2) . . . . ?
C20 Re1 C9 C10 -100.5(13) . . . . ?
C18 Re1 C9 C10 164.9(12) . . . . ?
C11 Re1 C9 C10 37.9(13) . . . . ?
C12 Re1 C9 C10 78.2(13) . . . . ?
C8 Re1 C9 C10 116.6(16) . . . . ?
C19 Re1 C9 C8 -115.5(15) . . . . ?
C20 Re1 C9 C8 143.0(11) . . . . ?
C18 Re1 C9 C8 48.4(13) . . . . ?
C11 Re1 C9 C8 -78.7(12) . . . . ?
C10 Re1 C9 C8 -116.6(16) . . . . ?
C12 Re1 C9 C8 -38.4(10) . . . . ?
C19 Re1 C9 Si2 121.5(15) . . . . ?
C20 Re1 C9 Si2 20.0(13) . . . . ?
C18 Re1 C9 Si2 -74.6(15) . . . . ?
C11 Re1 C9 Si2 158.3(16) . . . . ?
C10 Re1 C9 Si2 120.4(18) . . . . ?
C12 Re1 C9 Si2 -161.4(15) . . . . ?
C8 Re1 C9 Si2 -123.0(17) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
Si2 C9 C10 C11 168.8(15) . . . . ?
Re1 C9 C10 C11 -62.7(15) . . . . ?
C8 C9 C10 Re1 62.9(12) . . . . ?
Si2 C9 C10 Re1 -128.6(15) . . . . ?
C19 Re1 C10 C11 -63.9(15) . . . . ?
C20 Re1 C10 C11 -157.9(14) . . . . ?
C18 Re1 C10 C11 80(3) . . . . ?
C12 Re1 C10 C11 34.8(13) . . . . ?
C9 Re1 C10 C11 115.4(18) . . . . ?
C8 Re1 C10 C11 77.1(14) . . . . ?
C19 Re1 C10 C9 -179.3(12) . . . . ?
C20 Re1 C10 C9 86.7(13) . . . . ?
C18 Re1 C10 C9 -35(3) . . . . ?
C11 Re1 C10 C9 -115.4(18) . . . . ?
C12 Re1 C10 C9 -80.7(13) . . . . ?
C8 Re1 C10 C9 -38.3(11) . . . . ?
C9 C10 C11 C12 -1(3) . . . . ?
Re1 C10 C11 C12 -65.9(17) . . . . ?
C9 C10 C11 Re1 65.0(14) . . . . ?
C19 Re1 C11 C12 -118.5(14) . . . . ?
C20 Re1 C11 C12 151.4(14) . . . . ?
C18 Re1 C11 C12 -28.9(18) . . . . ?
C10 Re1 C11 C12 120.0(19) . . . . ?
C9 Re1 C11 C12 82.2(13) . . . . ?
C8 Re1 C11 C12 38.6(12) . . . . ?
C19 Re1 C11 C10 121.5(14) . . . . ?
C20 Re1 C11 C10 31.4(19) . . . . ?
C18 Re1 C11 C10 -148.9(13) . . . . ?
C12 Re1 C11 C10 -120.0(19) . . . . ?
C9 Re1 C11 C10 -37.8(12) . . . . ?
C8 Re1 C11 C10 -81.3(13) . . . . ?
C10 C11 C12 C8 1(3) . . . . ?
Re1 C11 C12 C8 -64.1(13) . . . . ?
C10 C11 C12 Re1 65.3(17) . . . . ?
C9 C8 C12 C11 -1(2) . . . . ?
Si1 C8 C12 C11 -169.7(14) . . . . ?
Re1 C8 C12 C11 62.2(14) . . . . ?
C9 C8 C12 Re1 -63.1(11) . . . . ?
Si1 C8 C12 Re1 128.1(13) . . . . ?
C19 Re1 C12 C11 66.3(15) . . . . ?
C20 Re1 C12 C11 -73(3) . . . . ?
C18 Re1 C12 C11 159.8(13) . . . . ?
C10 Re1 C12 C11 -35.7(12) . . . . ?
C9 Re1 C12 C11 -76.8(13) . . . . ?
C8 Re1 C12 C11 -115.8(17) . . . . ?
C19 Re1 C12 C8 -177.9(12) . . . . ?
C20 Re1 C12 C8 43(3) . . . . ?
C18 Re1 C12 C8 -84.4(12) . . . . ?
C11 Re1 C12 C8 115.8(17) . . . . ?
C10 Re1 C12 C8 80.1(12) . . . . ?
C9 Re1 C12 C8 39.0(10) . . . . ?
C16 Re2 C15 O1 3(40) . . . . ?
C17 Re2 C15 O1 93(40) . . . . ?
C3 Re2 C15 O1 -140(40) . . . . ?
C2 Re2 C15 O1 -167(40) . . . . ?
C5 Re2 C15 O1 -92(40) . . . . ?
C1 Re2 C15 O1 -154(39) . . . . ?
C4 Re2 C15 O1 -105(40) . . . . ?
C15 Re2 C16 O2 88(100) . . . . ?
C17 Re2 C16 O2 -2(100) . . . . ?
C3 Re2 C16 O2 -177(100) . . . . ?
C2 Re2 C16 O2 -112(100) . . . . ?
C5 Re2 C16 O2 -134(100) . . . . ?
C1 Re2 C16 O2 -104(100) . . . . ?
C4 Re2 C16 O2 -168(100) . . . . ?
C15 Re2 C17 O3 138(27) . . . . ?
C16 Re2 C17 O3 -133(27) . . . . ?
C3 Re2 C17 O3 42(27) . . . . ?
C2 Re2 C17 O3 19(27) . . . . ?
C5 Re2 C17 O3 -38(27) . . . . ?
C1 Re2 C17 O3 -17(27) . . . . ?
C4 Re2 C17 O3 8(28) . . . . ?
C19 Re1 C18 O4 28(31) . . . . ?
C20 Re1 C18 O4 117(31) . . . . ?
C11 Re1 C18 O4 -63(31) . . . . ?
C10 Re1 C18 O4 -118(31) . . . . ?
C12 Re1 C18 O4 -79(31) . . . . ?
C9 Re1 C18 O4 -143(31) . . . . ?
C8 Re1 C18 O4 -116(31) . . . . ?
C20 Re1 C19 O5 137(27) . . . . ?
C18 Re1 C19 O5 -135(27) . . . . ?
C11 Re1 C19 O5 1(27) . . . . ?
C10 Re1 C19 O5 33(28) . . . . ?
C12 Re1 C19 O5 -30(28) . . . . ?
C9 Re1 C19 O5 32(28) . . . . ?
C8 Re1 C19 O5 -32(28) . . . . ?
C19 Re1 C20 O6 -75(25) . . . . ?
C18 Re1 C20 O6 -164(25) . . . . ?
C11 Re1 C20 O6 15(26) . . . . ?
C10 Re1 C20 O6 34(25) . . . . ?
C12 Re1 C20 O6 66(26) . . . . ?
C9 Re1 C20 O6 69(25) . . . . ?
C8 Re1 C20 O6 96(25) . . . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         3.461
_refine_diff_density_min         -3.102
_refine_diff_density_rms         0.309
_database_code_depnum_ccdc_archive 'CCDC 1017441'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n110929b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        cis-2b
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H36 O12 Re4 Si2'
_chemical_formula_weight         1533.69

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.595(4)
_cell_length_b                   14.692(4)
_cell_length_c                   11.089(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.314(4)
_cell_angle_gamma                90.00
_cell_volume                     2215.0(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5912
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      28.27

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1424
_exptl_absorpt_coefficient_mu    11.008
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.3079
_exptl_absorpt_correction_T_max  0.4730
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10872
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3895
_reflns_number_gt                3521
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0309P)²+3.1536P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3895
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0284
_refine_ls_wR_factor_ref         0.0678
_refine_ls_wR_factor_gt          0.0661
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.560328(18) 0.617522(16) 0.73604(2) 0.01579(9) Uani 1 1 d . . .
Re2 Re 0.835549(18) 0.421880(17) 0.61992(2) 0.01575(9) Uani 1 1 d . . .
Si1 Si 0.75428(13) 0.50791(12) 0.93097(14) 0.0171(4) Uani 1 1 d . . .
O1 O 0.4487(4) 0.4422(3) 0.8005(4) 0.0259(11) Uani 1 1 d . . .
O2 O 0.3634(4) 0.6950(3) 0.6440(5) 0.0373(12) Uani 1 1 d . . .
O3 O 0.5975(3) 0.5474(3) 0.4791(4) 0.0246(10) Uani 1 1 d . . .
O4 O 0.6242(3) 0.3492(3) 0.6466(4) 0.0290(11) Uani 1 1 d . . .
O5 O 0.9022(4) 0.2359(4) 0.5236(5) 0.0501(15) Uani 1 1 d . . .
O6 O 0.7854(4) 0.4825(4) 0.3610(4) 0.0374(13) Uani 1 1 d . . .
C1 C 0.7205(4) 0.6662(4) 0.7762(5) 0.0146(13) Uani 1 1 d . . .
C2 C 0.6895(5) 0.6101(4) 0.8750(5) 0.0161(13) Uani 1 1 d . . .
C3 C 0.6055(5) 0.6580(5) 0.9287(5) 0.0222(14) Uani 1 1 d . . .
H3 H 0.5684 0.6381 0.9961 0.027 Uiso 1 1 calc R . .
C4 C 0.5897(5) 0.7388(5) 0.8624(6) 0.0272(16) Uani 1 1 d . . .
H4 H 0.5397 0.7823 0.8784 0.033 Uiso 1 1 calc R . .
C5 C 0.6597(5) 0.7452(4) 0.7683(6) 0.0223(14) Uani 1 1 d . . .
H5 H 0.6651 0.7930 0.7110 0.027 Uiso 1 1 calc R . .
C6 C 0.8177(4) 0.6580(4) 0.7037(5) 0.0097(11) Uani 1 1 d . . .
C7 C 0.8913(5) 0.7227(4) 0.7653(6) 0.0229(14) Uani 1 1 d . . .
H7A H 0.9524 0.7242 0.7189 0.034 Uiso 1 1 calc R . .
H7B H 0.9053 0.7010 0.8472 0.034 Uiso 1 1 calc R . .
H7C H 0.8631 0.7840 0.7690 0.034 Uiso 1 1 calc R . .
C8 C 0.8051(5) 0.6834(5) 0.5701(5) 0.0254(15) Uani 1 1 d . . .
H8A H 0.7745 0.7437 0.5639 0.038 Uiso 1 1 calc R . .
H8B H 0.7632 0.6383 0.5301 0.038 Uiso 1 1 calc R . .
H8C H 0.8697 0.6847 0.5313 0.038 Uiso 1 1 calc R . .
C9 C 0.8650(4) 0.5608(4) 0.7164(5) 0.0151(13) Uani 1 1 d . . .
C10 C 0.8459(4) 0.4938(4) 0.8075(5) 0.0144(12) Uani 1 1 d . . .
C11 C 0.9227(5) 0.4252(4) 0.8001(5) 0.0185(14) Uani 1 1 d . . .
H11 H 0.9291 0.3725 0.8492 0.022 Uiso 1 1 calc R . .
C12 C 0.9872(5) 0.4524(5) 0.7040(6) 0.0217(14) Uani 1 1 d . . .
H12 H 1.0445 0.4205 0.6794 0.026 Uiso 1 1 calc R . .
C13 C 0.9525(5) 0.5333(4) 0.6527(5) 0.0206(14) Uani 1 1 d . . .
H13 H 0.9815 0.5648 0.5871 0.025 Uiso 1 1 calc R . .
C14 C 0.8244(5) 0.5380(5) 1.0686(6) 0.0250(15) Uani 1 1 d . . .
H14A H 0.8678 0.5896 1.0515 0.037 Uiso 1 1 calc R . .
H14B H 0.8639 0.4856 1.0944 0.037 Uiso 1 1 calc R . .
H14C H 0.7786 0.5546 1.1329 0.037 Uiso 1 1 calc R . .
C15 C 0.6757(5) 0.4075(4) 0.9607(6) 0.0238(15) Uani 1 1 d . . .
H15A H 0.6285 0.4222 1.0242 0.036 Uiso 1 1 calc R . .
H15B H 0.7170 0.3564 0.9868 0.036 Uiso 1 1 calc R . .
H15C H 0.6402 0.3908 0.8869 0.036 Uiso 1 1 calc R . .
C16 C 0.4907(5) 0.5073(5) 0.7745(5) 0.0233(15) Uani 1 1 d . . .
C17 C 0.4370(5) 0.6656(5) 0.6768(6) 0.0253(15) Uani 1 1 d . . .
C18 C 0.5838(5) 0.5719(4) 0.5764(6) 0.0205(14) Uani 1 1 d . . .
C19 C 0.7031(5) 0.3764(4) 0.6372(5) 0.0177(14) Uani 1 1 d . . .
C20 C 0.8733(5) 0.3062(5) 0.5587(6) 0.0292(16) Uani 1 1 d . . .
C21 C 0.8015(5) 0.4586(5) 0.4579(6) 0.0245(15) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C18 1.921(6) . ?
Re1 C16 1.924(7) . ?
Re1 C17 1.932(7) . ?
Re1 C3 2.298(6) . ?
Re1 C4 2.301(6) . ?
Re1 C2 2.332(6) . ?
Re1 C1 2.333(6) . ?
Re1 C5 2.339(6) . ?
Re2 C20 1.903(7) . ?
Re2 C21 1.930(6) . ?
Re2 C19 1.931(7) . ?
Re2 C12 2.303(6) . ?
Re2 C13 2.309(6) . ?
Re2 C11 2.318(6) . ?
Re2 C10 2.337(5) . ?
Re2 C9 2.338(6) . ?
Si1 C2 1.847(6) . ?
Si1 C14 1.848(7) . ?
Si1 C15 1.852(7) . ?
Si1 C10 1.868(6) . ?
O1 C16 1.152(8) . ?
O2 C17 1.147(8) . ?
O3 C18 1.154(7) . ?
O4 C19 1.150(8) . ?
O5 C20 1.171(8) . ?
O6 C21 1.150(8) . ?
C1 C5 1.428(9) . ?
C1 C2 1.436(8) . ?
C1 C6 1.555(8) . ?
C2 C3 1.470(9) . ?
C3 C4 1.412(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.420(9) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C8 1.536(8) . ?
C6 C7 1.538(8) . ?
C6 C9 1.573(8) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.434(8) . ?
C9 C13 1.444(8) . ?
C10 C11 1.455(8) . ?
C11 C12 1.441(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.398(9) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?

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
C18 Re1 C16 89.7(3) . . ?
C18 Re1 C17 87.9(3) . . ?
C16 Re1 C17 87.5(3) . . ?
C18 Re1 C3 154.4(3) . . ?
C16 Re1 C3 98.1(2) . . ?
C17 Re1 C3 116.6(3) . . ?
C18 Re1 C4 143.4(3) . . ?
C16 Re1 C4 126.9(2) . . ?
C17 Re1 C4 94.1(3) . . ?
C3 Re1 C4 35.8(2) . . ?
C18 Re1 C2 117.7(2) . . ?
C16 Re1 C2 100.6(2) . . ?
C17 Re1 C2 153.0(2) . . ?
C3 Re1 C2 37.0(2) . . ?
C4 Re1 C2 60.4(2) . . ?
C18 Re1 C1 97.1(2) . . ?
C16 Re1 C1 132.5(2) . . ?
C17 Re1 C1 139.5(2) . . ?
C3 Re1 C1 59.9(2) . . ?
C4 Re1 C1 59.2(2) . . ?
C2 Re1 C1 35.9(2) . . ?
C18 Re1 C5 108.8(2) . . ?
C16 Re1 C5 157.7(2) . . ?
C17 Re1 C5 105.0(3) . . ?
C3 Re1 C5 59.9(2) . . ?
C4 Re1 C5 35.6(2) . . ?
C2 Re1 C5 60.3(2) . . ?
C1 Re1 C5 35.6(2) . . ?
C20 Re2 C21 88.9(3) . . ?
C20 Re2 C19 88.9(3) . . ?
C21 Re2 C19 88.3(3) . . ?
C20 Re2 C12 94.3(3) . . ?
C21 Re2 C12 122.2(2) . . ?
C19 Re2 C12 149.4(2) . . ?
C20 Re2 C13 120.2(3) . . ?
C21 Re2 C13 96.3(3) . . ?
C19 Re2 C13 150.6(2) . . ?
C12 Re2 C13 35.3(2) . . ?
C20 Re2 C11 100.9(3) . . ?
C21 Re2 C11 156.3(3) . . ?
C19 Re2 C11 113.2(2) . . ?
C12 Re2 C11 36.3(2) . . ?
C13 Re2 C11 60.1(2) . . ?
C20 Re2 C10 135.0(3) . . ?
C21 Re2 C10 135.6(3) . . ?
C19 Re2 C10 96.9(2) . . ?
C12 Re2 C10 60.1(2) . . ?
C13 Re2 C10 60.1(2) . . ?
C11 Re2 C10 36.4(2) . . ?
C20 Re2 C9 153.8(3) . . ?
C21 Re2 C9 102.8(3) . . ?
C19 Re2 C9 114.5(2) . . ?
C12 Re2 C9 59.6(2) . . ?
C13 Re2 C9 36.2(2) . . ?
C11 Re2 C9 60.1(2) . . ?
C10 Re2 C9 35.73(19) . . ?
C2 Si1 C14 109.0(3) . . ?
C2 Si1 C15 115.7(3) . . ?
C14 Si1 C15 109.8(3) . . ?
C2 Si1 C10 99.3(3) . . ?
C14 Si1 C10 106.8(3) . . ?
C15 Si1 C10 115.5(3) . . ?
C5 C1 C2 109.9(5) . . ?
C5 C1 C6 121.6(5) . . ?
C2 C1 C6 127.2(5) . . ?
C5 C1 Re1 72.4(4) . . ?
C2 C1 Re1 72.1(3) . . ?
C6 C1 Re1 132.2(4) . . ?
C1 C2 C3 105.5(5) . . ?
C1 C2 Si1 125.5(5) . . ?
C3 C2 Si1 128.5(5) . . ?
C1 C2 Re1 72.1(3) . . ?
C3 C2 Re1 70.2(3) . . ?
Si1 C2 Re1 128.0(3) . . ?
C4 C3 C2 107.9(5) . . ?
C4 C3 Re1 72.2(4) . . ?
C2 C3 Re1 72.7(3) . . ?
C4 C3 H3 126.0 . . ?
C2 C3 H3 126.0 . . ?
Re1 C3 H3 120.8 . . ?
C3 C4 C5 109.7(6) . . ?
C3 C4 Re1 72.0(4) . . ?
C5 C4 Re1 73.6(4) . . ?
C3 C4 H4 125.1 . . ?
C5 C4 H4 125.1 . . ?
Re1 C4 H4 120.9 . . ?
C4 C5 C1 106.9(6) . . ?
C4 C5 Re1 70.7(4) . . ?
C1 C5 Re1 72.0(3) . . ?
C4 C5 H5 126.5 . . ?
C1 C5 H5 126.5 . . ?
Re1 C5 H5 122.5 . . ?
C8 C6 C7 110.3(5) . . ?
C8 C6 C1 112.9(5) . . ?
C7 C6 C1 106.0(4) . . ?
C8 C6 C9 110.6(5) . . ?
C7 C6 C9 104.8(5) . . ?
C1 C6 C9 111.9(4) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C13 107.8(5) . . ?
C10 C9 C6 127.6(5) . . ?
C13 C9 C6 123.2(5) . . ?
C10 C9 Re2 72.1(3) . . ?
C13 C9 Re2 70.8(3) . . ?
C6 C9 Re2 133.0(4) . . ?
C9 C10 C11 107.6(5) . . ?
C9 C10 Si1 124.4(4) . . ?
C11 C10 Si1 126.8(4) . . ?
C9 C10 Re2 72.2(3) . . ?
C11 C10 Re2 71.1(3) . . ?
Si1 C10 Re2 131.7(3) . . ?
C12 C11 C10 106.8(5) . . ?
C12 C11 Re2 71.3(3) . . ?
C10 C11 Re2 72.5(3) . . ?
C12 C11 H11 126.6 . . ?
C10 C11 H11 126.6 . . ?
Re2 C11 H11 121.4 . . ?
C13 C12 C11 109.4(5) . . ?
C13 C12 Re2 72.6(4) . . ?
C11 C12 Re2 72.4(4) . . ?
C13 C12 H12 125.3 . . ?
C11 C12 H12 125.3 . . ?
Re2 C12 H12 121.3 . . ?
C12 C13 C9 108.4(5) . . ?
C12 C13 Re2 72.1(4) . . ?
C9 C13 Re2 73.0(3) . . ?
C12 C13 H13 125.8 . . ?
C9 C13 H13 125.8 . . ?
Re2 C13 H13 120.9 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O1 C16 Re1 178.2(5) . . ?
O2 C17 Re1 178.6(6) . . ?
O3 C18 Re1 177.8(6) . . ?
O4 C19 Re2 179.5(5) . . ?
O5 C20 Re2 176.0(6) . . ?
O6 C21 Re2 176.8(6) . . ?

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
C18 Re1 C1 C5 112.6(4) . . . . ?
C16 Re1 C1 C5 -151.3(4) . . . . ?
C17 Re1 C1 C5 17.5(5) . . . . ?
C3 Re1 C1 C5 -79.3(4) . . . . ?
C4 Re1 C1 C5 -37.6(4) . . . . ?
C2 Re1 C1 C5 -118.6(5) . . . . ?
C18 Re1 C1 C2 -128.8(4) . . . . ?
C16 Re1 C1 C2 -32.7(5) . . . . ?
C17 Re1 C1 C2 136.1(4) . . . . ?
C3 Re1 C1 C2 39.3(4) . . . . ?
C4 Re1 C1 C2 81.0(4) . . . . ?
C5 Re1 C1 C2 118.6(5) . . . . ?
C18 Re1 C1 C6 -4.5(5) . . . . ?
C16 Re1 C1 C6 91.6(6) . . . . ?
C17 Re1 C1 C6 -99.6(6) . . . . ?
C3 Re1 C1 C6 163.6(6) . . . . ?
C4 Re1 C1 C6 -154.7(6) . . . . ?
C2 Re1 C1 C6 124.3(7) . . . . ?
C5 Re1 C1 C6 -117.1(7) . . . . ?
C5 C1 C2 C3 0.2(7) . . . . ?
C6 C1 C2 C3 167.4(5) . . . . ?
Re1 C1 C2 C3 -62.7(4) . . . . ?
C5 C1 C2 Si1 -172.7(4) . . . . ?
C6 C1 C2 Si1 -5.5(9) . . . . ?
Re1 C1 C2 Si1 124.4(5) . . . . ?
C5 C1 C2 Re1 62.9(4) . . . . ?
C6 C1 C2 Re1 -129.9(6) . . . . ?
C14 Si1 C2 C1 101.3(5) . . . . ?
C15 Si1 C2 C1 -134.4(5) . . . . ?
C10 Si1 C2 C1 -10.2(6) . . . . ?
C14 Si1 C2 C3 -69.9(6) . . . . ?
C15 Si1 C2 C3 54.3(6) . . . . ?
C10 Si1 C2 C3 178.6(6) . . . . ?
C14 Si1 C2 Re1 -164.2(3) . . . . ?
C15 Si1 C2 Re1 -39.9(5) . . . . ?
C10 Si1 C2 Re1 84.3(4) . . . . ?
C18 Re1 C2 C1 60.8(4) . . . . ?
C16 Re1 C2 C1 156.1(4) . . . . ?
C17 Re1 C2 C1 -98.4(6) . . . . ?
C3 Re1 C2 C1 -114.5(5) . . . . ?
C4 Re1 C2 C1 -77.3(4) . . . . ?
C5 Re1 C2 C1 -36.1(3) . . . . ?
C18 Re1 C2 C3 175.3(4) . . . . ?
C16 Re1 C2 C3 -89.4(4) . . . . ?
C17 Re1 C2 C3 16.1(7) . . . . ?
C4 Re1 C2 C3 37.2(4) . . . . ?
C1 Re1 C2 C3 114.5(5) . . . . ?
C5 Re1 C2 C3 78.4(4) . . . . ?
C18 Re1 C2 Si1 -60.7(4) . . . . ?
C16 Re1 C2 Si1 34.6(4) . . . . ?
C17 Re1 C2 Si1 140.1(5) . . . . ?
C3 Re1 C2 Si1 124.0(6) . . . . ?
C4 Re1 C2 Si1 161.2(5) . . . . ?
C1 Re1 C2 Si1 -121.5(5) . . . . ?
C5 Re1 C2 Si1 -157.6(5) . . . . ?
C1 C2 C3 C4 -0.1(7) . . . . ?
Si1 C2 C3 C4 172.5(5) . . . . ?
Re1 C2 C3 C4 -64.1(4) . . . . ?
C1 C2 C3 Re1 64.0(4) . . . . ?
Si1 C2 C3 Re1 -123.4(5) . . . . ?
C18 Re1 C3 C4 106.2(6) . . . . ?
C16 Re1 C3 C4 -147.2(4) . . . . ?
C17 Re1 C3 C4 -55.9(5) . . . . ?
C2 Re1 C3 C4 116.0(5) . . . . ?
C1 Re1 C3 C4 77.9(4) . . . . ?
C5 Re1 C3 C4 36.6(4) . . . . ?
C18 Re1 C3 C2 -9.8(8) . . . . ?
C16 Re1 C3 C2 96.9(4) . . . . ?
C17 Re1 C3 C2 -171.9(4) . . . . ?
C4 Re1 C3 C2 -116.0(5) . . . . ?
C1 Re1 C3 C2 -38.0(3) . . . . ?
C5 Re1 C3 C2 -79.4(4) . . . . ?
C2 C3 C4 C5 0.0(7) . . . . ?
Re1 C3 C4 C5 -64.5(5) . . . . ?
C2 C3 C4 Re1 64.5(4) . . . . ?
C18 Re1 C4 C3 -136.0(5) . . . . ?
C16 Re1 C4 C3 42.2(5) . . . . ?
C17 Re1 C4 C3 132.1(4) . . . . ?
C2 Re1 C4 C3 -38.5(4) . . . . ?
C1 Re1 C4 C3 -80.2(4) . . . . ?
C5 Re1 C4 C3 -117.7(6) . . . . ?
C18 Re1 C4 C5 -18.3(6) . . . . ?
C16 Re1 C4 C5 159.9(4) . . . . ?
C17 Re1 C4 C5 -110.2(4) . . . . ?
C3 Re1 C4 C5 117.7(6) . . . . ?
C2 Re1 C4 C5 79.2(4) . . . . ?
C1 Re1 C4 C5 37.5(4) . . . . ?
C3 C4 C5 C1 0.1(7) . . . . ?
Re1 C4 C5 C1 -63.3(4) . . . . ?
C3 C4 C5 Re1 63.4(4) . . . . ?
C2 C1 C5 C4 -0.2(7) . . . . ?
C6 C1 C5 C4 -168.2(5) . . . . ?
Re1 C1 C5 C4 62.5(4) . . . . ?
C2 C1 C5 Re1 -62.7(4) . . . . ?
C6 C1 C5 Re1 129.3(5) . . . . ?
C18 Re1 C5 C4 168.6(4) . . . . ?
C16 Re1 C5 C4 -46.5(8) . . . . ?
C17 Re1 C5 C4 75.7(4) . . . . ?
C3 Re1 C5 C4 -36.7(4) . . . . ?
C2 Re1 C5 C4 -79.7(4) . . . . ?
C1 Re1 C5 C4 -116.0(5) . . . . ?
C18 Re1 C5 C1 -75.4(4) . . . . ?
C16 Re1 C5 C1 69.5(8) . . . . ?
C17 Re1 C5 C1 -168.3(4) . . . . ?
C3 Re1 C5 C1 79.3(4) . . . . ?
C4 Re1 C5 C1 116.0(5) . . . . ?
C2 Re1 C5 C1 36.3(3) . . . . ?
C5 C1 C6 C8 -48.2(7) . . . . ?
C2 C1 C6 C8 146.0(6) . . . . ?
Re1 C1 C6 C8 46.4(7) . . . . ?
C5 C1 C6 C7 72.6(7) . . . . ?
C2 C1 C6 C7 -93.2(7) . . . . ?
Re1 C1 C6 C7 167.2(4) . . . . ?
C5 C1 C6 C9 -173.7(5) . . . . ?
C2 C1 C6 C9 20.5(8) . . . . ?
Re1 C1 C6 C9 -79.1(6) . . . . ?
C8 C6 C9 C10 -145.6(6) . . . . ?
C7 C6 C9 C10 95.6(7) . . . . ?
C1 C6 C9 C10 -18.8(8) . . . . ?
C8 C6 C9 C13 49.5(7) . . . . ?
C7 C6 C9 C13 -69.3(7) . . . . ?
C1 C6 C9 C13 176.3(5) . . . . ?
C8 C6 C9 Re2 -44.7(7) . . . . ?
C7 C6 C9 Re2 -163.5(4) . . . . ?
C1 C6 C9 Re2 82.1(6) . . . . ?
C20 Re2 C9 C10 -85.2(6) . . . . ?
C21 Re2 C9 C10 160.0(4) . . . . ?
C19 Re2 C9 C10 65.9(4) . . . . ?
C12 Re2 C9 C10 -80.1(4) . . . . ?
C13 Re2 C9 C10 -116.9(5) . . . . ?
C11 Re2 C9 C10 -37.8(3) . . . . ?
C20 Re2 C9 C13 31.7(7) . . . . ?
C21 Re2 C9 C13 -83.1(4) . . . . ?
C19 Re2 C9 C13 -177.1(4) . . . . ?
C12 Re2 C9 C13 36.9(4) . . . . ?
C11 Re2 C9 C13 79.1(4) . . . . ?
C10 Re2 C9 C13 116.9(5) . . . . ?
C20 Re2 C9 C6 149.6(6) . . . . ?
C21 Re2 C9 C6 34.8(5) . . . . ?
C19 Re2 C9 C6 -59.2(5) . . . . ?
C12 Re2 C9 C6 154.8(6) . . . . ?
C13 Re2 C9 C6 117.9(6) . . . . ?
C11 Re2 C9 C6 -162.9(6) . . . . ?
C10 Re2 C9 C6 -125.1(7) . . . . ?
C13 C9 C10 C11 0.5(7) . . . . ?
C6 C9 C10 C11 -166.3(5) . . . . ?
Re2 C9 C10 C11 62.7(4) . . . . ?
C13 C9 C10 Si1 168.9(4) . . . . ?
C6 C9 C10 Si1 2.2(9) . . . . ?
Re2 C9 C10 Si1 -128.9(4) . . . . ?
C13 C9 C10 Re2 -62.2(4) . . . . ?
C6 C9 C10 Re2 131.0(6) . . . . ?
C2 Si1 C10 C9 11.6(6) . . . . ?
C14 Si1 C10 C9 -101.6(5) . . . . ?
C15 Si1 C10 C9 136.0(5) . . . . ?
C2 Si1 C10 C11 177.9(5) . . . . ?
C14 Si1 C10 C11 64.6(6) . . . . ?
C15 Si1 C10 C11 -57.8(6) . . . . ?
C2 Si1 C10 Re2 -84.9(4) . . . . ?
C14 Si1 C10 Re2 161.8(4) . . . . ?
C15 Si1 C10 Re2 39.5(5) . . . . ?
C20 Re2 C10 C9 141.6(4) . . . . ?
C21 Re2 C10 C9 -28.6(5) . . . . ?
C19 Re2 C10 C9 -123.2(4) . . . . ?
C12 Re2 C10 C9 78.3(4) . . . . ?
C13 Re2 C10 C9 37.4(3) . . . . ?
C11 Re2 C10 C9 116.5(5) . . . . ?
C20 Re2 C10 C11 25.1(5) . . . . ?
C21 Re2 C10 C11 -145.1(4) . . . . ?
C19 Re2 C10 C11 120.3(4) . . . . ?
C12 Re2 C10 C11 -38.2(4) . . . . ?
C13 Re2 C10 C11 -79.1(4) . . . . ?
C9 Re2 C10 C11 -116.5(5) . . . . ?
C20 Re2 C10 Si1 -97.9(5) . . . . ?
C21 Re2 C10 Si1 92.0(5) . . . . ?
C19 Re2 C10 Si1 -2.6(4) . . . . ?
C12 Re2 C10 Si1 -161.1(5) . . . . ?
C13 Re2 C10 Si1 158.0(5) . . . . ?
C11 Re2 C10 Si1 -122.9(6) . . . . ?
C9 Re2 C10 Si1 120.5(6) . . . . ?
C9 C10 C11 C12 0.1(7) . . . . ?
Si1 C10 C11 C12 -168.0(4) . . . . ?
Re2 C10 C11 C12 63.4(4) . . . . ?
C9 C10 C11 Re2 -63.4(4) . . . . ?
Si1 C10 C11 Re2 128.5(5) . . . . ?
C20 Re2 C11 C12 82.5(4) . . . . ?
C21 Re2 C11 C12 -30.5(8) . . . . ?
C19 Re2 C11 C12 175.9(4) . . . . ?
C13 Re2 C11 C12 -36.2(4) . . . . ?
C10 Re2 C11 C12 -115.3(5) . . . . ?
C9 Re2 C11 C12 -78.2(4) . . . . ?
C20 Re2 C11 C10 -162.2(4) . . . . ?
C21 Re2 C11 C10 84.8(7) . . . . ?
C19 Re2 C11 C10 -68.8(4) . . . . ?
C12 Re2 C11 C10 115.3(5) . . . . ?
C13 Re2 C11 C10 79.1(4) . . . . ?
C9 Re2 C11 C10 37.1(3) . . . . ?
C10 C11 C12 C13 -0.6(7) . . . . ?
Re2 C11 C12 C13 63.7(5) . . . . ?
C10 C11 C12 Re2 -64.3(4) . . . . ?
C20 Re2 C12 C13 139.9(4) . . . . ?
C21 Re2 C12 C13 48.4(4) . . . . ?
C19 Re2 C12 C13 -125.0(5) . . . . ?
C11 Re2 C12 C13 -117.6(5) . . . . ?
C10 Re2 C12 C13 -79.4(4) . . . . ?
C9 Re2 C12 C13 -37.8(3) . . . . ?
C20 Re2 C12 C11 -102.5(4) . . . . ?
C21 Re2 C12 C11 166.1(4) . . . . ?
C19 Re2 C12 C11 -7.4(7) . . . . ?
C13 Re2 C12 C11 117.6(5) . . . . ?
C10 Re2 C12 C11 38.3(3) . . . . ?
C9 Re2 C12 C11 79.8(4) . . . . ?
C11 C12 C13 C9 0.9(7) . . . . ?
Re2 C12 C13 C9 64.4(4) . . . . ?
C11 C12 C13 Re2 -63.5(4) . . . . ?
C10 C9 C13 C12 -0.8(7) . . . . ?
C6 C9 C13 C12 166.7(5) . . . . ?
Re2 C9 C13 C12 -63.9(4) . . . . ?
C10 C9 C13 Re2 63.0(4) . . . . ?
C6 C9 C13 Re2 -129.5(5) . . . . ?
C20 Re2 C13 C12 -48.0(4) . . . . ?
C21 Re2 C13 C12 -140.4(4) . . . . ?
C19 Re2 C13 C12 121.8(5) . . . . ?
C11 Re2 C13 C12 37.3(3) . . . . ?
C10 Re2 C13 C12 79.5(4) . . . . ?
C9 Re2 C13 C12 116.5(5) . . . . ?
C20 Re2 C13 C9 -164.4(4) . . . . ?
C21 Re2 C13 C9 103.1(4) . . . . ?
C19 Re2 C13 C9 5.3(7) . . . . ?
C12 Re2 C13 C9 -116.5(5) . . . . ?
C11 Re2 C13 C9 -79.2(4) . . . . ?
C10 Re2 C13 C9 -36.9(3) . . . . ?
C18 Re1 C16 O1 179(100) . . . . ?
C17 Re1 C16 O1 -93(20) . . . . ?
C3 Re1 C16 O1 23(20) . . . . ?
C4 Re1 C16 O1 0(20) . . . . ?
C2 Re1 C16 O1 61(20) . . . . ?
C1 Re1 C16 O1 80(20) . . . . ?
C5 Re1 C16 O1 32(20) . . . . ?
C18 Re1 C17 O2 -174(100) . . . . ?
C16 Re1 C17 O2 96(26) . . . . ?
C3 Re1 C17 O2 -2(26) . . . . ?
C4 Re1 C17 O2 -31(26) . . . . ?
C2 Re1 C17 O2 -13(26) . . . . ?
C1 Re1 C17 O2 -76(26) . . . . ?
C5 Re1 C17 O2 -65(26) . . . . ?
C16 Re1 C18 O3 143(14) . . . . ?
C17 Re1 C18 O3 55(14) . . . . ?
C3 Re1 C18 O3 -109(14) . . . . ?
C4 Re1 C18 O3 -39(14) . . . . ?
C2 Re1 C18 O3 -115(14) . . . . ?
C1 Re1 C18 O3 -84(14) . . . . ?
C5 Re1 C18 O3 -50(14) . . . . ?
C20 Re2 C19 O4 -60(60) . . . . ?
C21 Re2 C19 O4 29(60) . . . . ?
C12 Re2 C19 O4 -156(100) . . . . ?
C13 Re2 C19 O4 129(60) . . . . ?
C11 Re2 C19 O4 -161(100) . . . . ?
C10 Re2 C19 O4 165(100) . . . . ?
C9 Re2 C19 O4 133(60) . . . . ?
C21 Re2 C20 O5 120(9) . . . . ?
C19 Re2 C20 O5 -152(9) . . . . ?
C12 Re2 C20 O5 -2(9) . . . . ?
C13 Re2 C20 O5 23(9) . . . . ?
C11 Re2 C20 O5 -38(9) . . . . ?
C10 Re2 C20 O5 -53(9) . . . . ?
C9 Re2 C20 O5 2(10) . . . . ?
C20 Re2 C21 O6 -98(12) . . . . ?
C19 Re2 C21 O6 173(12) . . . . ?
C12 Re2 C21 O6 -3(12) . . . . ?
C13 Re2 C21 O6 22(12) . . . . ?
C11 Re2 C21 O6 18(12) . . . . ?
C10 Re2 C21 O6 75(12) . . . . ?
C9 Re2 C21 O6 59(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.950
_refine_diff_density_min         -2.148
_refine_diff_density_rms         0.172
_database_code_depnum_ccdc_archive 'CCDC 1017442'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n111021a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        trans-2b
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H18 O6 Re2 Si'
_chemical_formula_weight         766.84

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.1782(6)
_cell_length_b                   16.3962(10)
_cell_length_c                   13.1427(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.5240(10)
_cell_angle_gamma                90.00
_cell_volume                     2183.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    6888
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      28.39

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1424
_exptl_absorpt_coefficient_mu    11.169
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.2851
_exptl_absorpt_correction_T_max  0.3246
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10814
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.99
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3824
_reflns_number_gt                3526
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0287P)²+2.6487P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3824
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0280
_refine_ls_wR_factor_ref         0.0703
_refine_ls_wR_factor_gt          0.0684
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.18732(2) 0.866663(13) 0.788472(15) 0.01405(9) Uani 1 1 d . . .
Re2 Re -0.23493(2) 0.610710(13) 0.774826(16) 0.01320(9) Uani 1 1 d . . .
Si1 Si 0.03881(15) 0.69702(10) 0.94108(11) 0.0176(3) Uani 1 1 d . . .
O1 O 0.2910(4) 0.9754(3) 0.6234(3) 0.0263(9) Uani 1 1 d . . .
O2 O 0.2966(4) 0.9804(3) 0.9610(3) 0.0308(10) Uani 1 1 d . . .
O3 O 0.4464(4) 0.7697(3) 0.8252(3) 0.0307(10) Uani 1 1 d . . .
O4 O -0.2924(4) 0.7939(3) 0.7531(4) 0.0287(10) Uani 1 1 d . . .
O5 O -0.4452(4) 0.5721(3) 0.5980(3) 0.0338(11) Uani 1 1 d . . .
O6 O -0.4436(4) 0.6005(3) 0.9285(4) 0.0349(11) Uani 1 1 d . . .
C1 C 0.0308(5) 0.7784(3) 0.8418(4) 0.0136(11) Uani 1 1 d . . .
C2 C -0.0154(5) 0.8606(3) 0.8467(4) 0.0181(12) Uani 1 1 d . . .
H2 H -0.0323 0.8882 0.9077 0.022 Uiso 1 1 calc R . .
C3 C -0.0323(5) 0.8951(3) 0.7473(4) 0.0186(12) Uani 1 1 d . . .
H3 H -0.0610 0.9489 0.7298 0.022 Uiso 1 1 calc R . .
C4 C 0.0026(5) 0.8327(4) 0.6783(4) 0.0179(12) Uani 1 1 d . . .
H4 H 0.0011 0.8383 0.6063 0.022 Uiso 1 1 calc R . .
C5 C 0.0397(5) 0.7610(3) 0.7349(4) 0.0142(11) Uani 1 1 d . . .
C6 C 0.2086(6) 0.6761(4) 1.0022(5) 0.0265(14) Uani 1 1 d . . .
H6A H 0.2670 0.6633 0.9493 0.040 Uiso 1 1 calc R . .
H6B H 0.2061 0.6297 1.0490 0.040 Uiso 1 1 calc R . .
H6C H 0.2419 0.7244 1.0405 0.040 Uiso 1 1 calc R . .
C7 C -0.0726(6) 0.7201(4) 1.0402(5) 0.0306(15) Uani 1 1 d . . .
H7A H -0.0405 0.7684 1.0787 0.046 Uiso 1 1 calc R . .
H7B H -0.0746 0.6735 1.0868 0.046 Uiso 1 1 calc R . .
H7C H -0.1617 0.7305 1.0077 0.046 Uiso 1 1 calc R . .
C8 C -0.0229(5) 0.6118(3) 0.8561(4) 0.0146(11) Uani 1 1 d . . .
C9 C -0.0132(5) 0.6121(3) 0.7459(4) 0.0139(11) Uani 1 1 d . . .
C10 C -0.0688(5) 0.5387(3) 0.7057(4) 0.0177(12) Uani 1 1 d . . .
H10 H -0.0748 0.5232 0.6357 0.021 Uiso 1 1 calc R . .
C11 C -0.1143(5) 0.4916(4) 0.7859(4) 0.0214(13) Uani 1 1 d . . .
H11 H -0.1559 0.4397 0.7794 0.026 Uiso 1 1 calc R . .
C12 C -0.0862(5) 0.5365(3) 0.8776(4) 0.0177(12) Uani 1 1 d . . .
H12 H -0.1063 0.5194 0.9434 0.021 Uiso 1 1 calc R . .
C13 C 0.2574(5) 0.9341(4) 0.6882(4) 0.0196(12) Uani 1 1 d . . .
C14 C 0.2581(5) 0.9376(3) 0.8953(4) 0.0198(12) Uani 1 1 d . . .
C15 C 0.3496(5) 0.8075(3) 0.8102(4) 0.0178(12) Uani 1 1 d . . .
C16 C 0.0665(5) 0.6755(3) 0.6888(4) 0.0113(11) Uani 1 1 d . . .
C17 C 0.0227(6) 0.6746(4) 0.5744(4) 0.0231(13) Uani 1 1 d . . .
H17A H 0.0708 0.7167 0.5402 0.035 Uiso 1 1 calc R . .
H17B H -0.0723 0.6855 0.5634 0.035 Uiso 1 1 calc R . .
H17C H 0.0415 0.6210 0.5461 0.035 Uiso 1 1 calc R . .
C18 C 0.2113(6) 0.6498(4) 0.7081(4) 0.0208(12) Uani 1 1 d . . .
H18A H 0.2221 0.5948 0.6807 0.031 Uiso 1 1 calc R . .
H18B H 0.2379 0.6498 0.7818 0.031 Uiso 1 1 calc R . .
H18C H 0.2666 0.6882 0.6742 0.031 Uiso 1 1 calc R . .
C19 C -0.2713(5) 0.7253(4) 0.7604(4) 0.0201(12) Uani 1 1 d . . .
C20 C -0.3681(6) 0.5891(4) 0.6639(4) 0.0205(12) Uani 1 1 d . . .
C21 C -0.3669(6) 0.6056(4) 0.8694(5) 0.0225(13) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C14 1.910(6) . ?
Re1 C13 1.910(6) . ?
Re1 C15 1.913(6) . ?
Re1 C2 2.271(6) . ?
Re1 C3 2.296(6) . ?
Re1 C1 2.311(5) . ?
Re1 C4 2.328(5) . ?
Re1 C5 2.357(5) . ?
Re2 C21 1.918(6) . ?
Re2 C19 1.921(6) . ?
Re2 C20 1.926(6) . ?
Re2 C12 2.281(5) . ?
Re2 C11 2.304(6) . ?
Re2 C8 2.314(5) . ?
Re2 C10 2.319(5) . ?
Re2 C9 2.325(5) . ?
Si1 C7 1.846(6) . ?
Si1 C8 1.860(6) . ?
Si1 C1 1.862(5) . ?
Si1 C6 1.866(6) . ?
O1 C13 1.165(7) . ?
O2 C14 1.152(7) . ?
O3 C15 1.164(7) . ?
O4 C19 1.148(7) . ?
O5 C20 1.146(7) . ?
O6 C21 1.157(7) . ?
C1 C2 1.431(7) . ?
C1 C5 1.445(7) . ?
C2 C3 1.419(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.434(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.423(8) . ?
C4 H4 0.9500 . ?
C5 C16 1.561(7) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C12 1.433(7) . ?
C8 C9 1.460(7) . ?
C9 C10 1.412(8) . ?
C9 C16 1.555(7) . ?
C10 C11 1.420(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.418(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C16 C17 1.527(7) . ?
C16 C18 1.530(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?

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
C14 Re1 C13 90.9(2) . . ?
C14 Re1 C15 86.6(2) . . ?
C13 Re1 C15 91.3(2) . . ?
C14 Re1 C2 94.0(2) . . ?
C13 Re1 C2 132.0(2) . . ?
C15 Re1 C2 136.6(2) . . ?
C14 Re1 C3 109.8(2) . . ?
C13 Re1 C3 98.0(2) . . ?
C15 Re1 C3 160.9(2) . . ?
C2 Re1 C3 36.2(2) . . ?
C14 Re1 C1 112.4(2) . . ?
C13 Re1 C1 152.4(2) . . ?
C15 Re1 C1 104.3(2) . . ?
C2 Re1 C1 36.39(18) . . ?
C3 Re1 C1 60.97(19) . . ?
C14 Re1 C4 145.9(2) . . ?
C13 Re1 C4 92.4(2) . . ?
C15 Re1 C4 127.2(2) . . ?
C2 Re1 C4 59.6(2) . . ?
C3 Re1 C4 36.1(2) . . ?
C1 Re1 C4 59.97(19) . . ?
C14 Re1 C5 148.4(2) . . ?
C13 Re1 C5 119.3(2) . . ?
C15 Re1 C5 100.8(2) . . ?
C2 Re1 C5 59.63(18) . . ?
C3 Re1 C5 60.03(19) . . ?
C1 Re1 C5 36.06(18) . . ?
C4 Re1 C5 35.36(19) . . ?
C21 Re2 C19 88.1(2) . . ?
C21 Re2 C20 89.8(2) . . ?
C19 Re2 C20 89.4(2) . . ?
C21 Re2 C12 93.4(2) . . ?
C19 Re2 C12 133.7(2) . . ?
C20 Re2 C12 136.8(2) . . ?
C21 Re2 C11 108.9(2) . . ?
C19 Re2 C11 158.7(2) . . ?
C20 Re2 C11 102.9(2) . . ?
C12 Re2 C11 36.04(19) . . ?
C21 Re2 C8 112.4(2) . . ?
C19 Re2 C8 101.5(2) . . ?
C20 Re2 C8 155.2(2) . . ?
C12 Re2 C8 36.33(18) . . ?
C11 Re2 C8 60.65(19) . . ?
C21 Re2 C10 144.6(2) . . ?
C19 Re2 C10 126.9(2) . . ?
C20 Re2 C10 95.5(2) . . ?
C12 Re2 C10 59.5(2) . . ?
C11 Re2 C10 35.79(19) . . ?
C8 Re2 C10 60.12(19) . . ?
C21 Re2 C9 149.1(2) . . ?
C19 Re2 C9 98.9(2) . . ?
C20 Re2 C9 120.1(2) . . ?
C12 Re2 C9 60.17(19) . . ?
C11 Re2 C9 59.95(19) . . ?
C8 Re2 C9 36.70(18) . . ?
C10 Re2 C9 35.40(19) . . ?
C7 Si1 C8 112.5(3) . . ?
C7 Si1 C1 111.0(3) . . ?
C8 Si1 C1 97.4(2) . . ?
C7 Si1 C6 109.9(3) . . ?
C8 Si1 C6 111.5(3) . . ?
C1 Si1 C6 114.2(3) . . ?
C2 C1 C5 106.3(5) . . ?
C2 C1 Si1 129.5(4) . . ?
C5 C1 Si1 122.4(4) . . ?
C2 C1 Re1 70.3(3) . . ?
C5 C1 Re1 73.7(3) . . ?
Si1 C1 Re1 132.5(3) . . ?
C3 C2 C1 110.2(5) . . ?
C3 C2 Re1 72.9(3) . . ?
C1 C2 Re1 73.3(3) . . ?
C3 C2 H2 124.9 . . ?
C1 C2 H2 124.9 . . ?
Re1 C2 H2 120.5 . . ?
C2 C3 C4 106.4(5) . . ?
C2 C3 Re1 70.9(3) . . ?
C4 C3 Re1 73.1(3) . . ?
C2 C3 H3 126.8 . . ?
C4 C3 H3 126.8 . . ?
Re1 C3 H3 121.0 . . ?
C5 C4 C3 109.2(5) . . ?
C5 C4 Re1 73.4(3) . . ?
C3 C4 Re1 70.7(3) . . ?
C5 C4 H4 125.4 . . ?
C3 C4 H4 125.4 . . ?
Re1 C4 H4 122.1 . . ?
C4 C5 C1 107.9(5) . . ?
C4 C5 C16 125.9(5) . . ?
C1 C5 C16 125.8(5) . . ?
C4 C5 Re1 71.2(3) . . ?
C1 C5 Re1 70.2(3) . . ?
C16 C5 Re1 130.2(3) . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C12 C8 C9 105.9(5) . . ?
C12 C8 Si1 131.4(4) . . ?
C9 C8 Si1 122.8(4) . . ?
C12 C8 Re2 70.5(3) . . ?
C9 C8 Re2 72.0(3) . . ?
Si1 C8 Re2 121.9(3) . . ?
C10 C9 C8 107.8(5) . . ?
C10 C9 C16 126.7(5) . . ?
C8 C9 C16 124.7(5) . . ?
C10 C9 Re2 72.1(3) . . ?
C8 C9 Re2 71.3(3) . . ?
C16 C9 Re2 130.2(3) . . ?
C9 C10 C11 109.5(5) . . ?
C9 C10 Re2 72.5(3) . . ?
C11 C10 Re2 71.5(3) . . ?
C9 C10 H10 125.3 . . ?
C11 C10 H10 125.3 . . ?
Re2 C10 H10 122.3 . . ?
C12 C11 C10 107.1(5) . . ?
C12 C11 Re2 71.1(3) . . ?
C10 C11 Re2 72.7(3) . . ?
C12 C11 H11 126.4 . . ?
C10 C11 H11 126.4 . . ?
Re2 C11 H11 121.6 . . ?
C11 C12 C8 109.7(5) . . ?
C11 C12 Re2 72.9(3) . . ?
C8 C12 Re2 73.1(3) . . ?
C11 C12 H12 125.1 . . ?
C8 C12 H12 125.1 . . ?
Re2 C12 H12 120.5 . . ?
O1 C13 Re1 175.1(5) . . ?
O2 C14 Re1 177.7(5) . . ?
O3 C15 Re1 177.8(5) . . ?
C17 C16 C18 110.2(5) . . ?
C17 C16 C9 110.7(4) . . ?
C18 C16 C9 105.9(4) . . ?
C17 C16 C5 110.2(4) . . ?
C18 C16 C5 112.6(4) . . ?
C9 C16 C5 107.1(4) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O4 C19 Re2 179.1(5) . . ?
O5 C20 Re2 176.4(5) . . ?
O6 C21 Re2 177.5(5) . . ?

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
C7 Si1 C1 C2 19.4(6) . . . . ?
C8 Si1 C1 C2 137.0(5) . . . . ?
C6 Si1 C1 C2 -105.5(5) . . . . ?
C7 Si1 C1 C5 -143.6(4) . . . . ?
C8 Si1 C1 C5 -26.0(5) . . . . ?
C6 Si1 C1 C5 91.5(5) . . . . ?
C7 Si1 C1 Re1 118.8(4) . . . . ?
C8 Si1 C1 Re1 -123.6(4) . . . . ?
C6 Si1 C1 Re1 -6.1(5) . . . . ?
C14 Re1 C1 C2 64.4(4) . . . . ?
C13 Re1 C1 C2 -80.8(5) . . . . ?
C15 Re1 C1 C2 156.6(3) . . . . ?
C3 Re1 C1 C2 -36.6(3) . . . . ?
C4 Re1 C1 C2 -78.3(3) . . . . ?
C5 Re1 C1 C2 -114.6(4) . . . . ?
C14 Re1 C1 C5 179.0(3) . . . . ?
C13 Re1 C1 C5 33.8(6) . . . . ?
C15 Re1 C1 C5 -88.8(3) . . . . ?
C2 Re1 C1 C5 114.6(4) . . . . ?
C3 Re1 C1 C5 78.0(3) . . . . ?
C4 Re1 C1 C5 36.2(3) . . . . ?
C14 Re1 C1 Si1 -61.6(4) . . . . ?
C13 Re1 C1 Si1 153.1(4) . . . . ?
C15 Re1 C1 Si1 30.6(4) . . . . ?
C2 Re1 C1 Si1 -126.1(5) . . . . ?
C3 Re1 C1 Si1 -162.7(4) . . . . ?
C4 Re1 C1 Si1 155.6(4) . . . . ?
C5 Re1 C1 Si1 119.4(5) . . . . ?
C5 C1 C2 C3 -1.4(6) . . . . ?
Si1 C1 C2 C3 -166.5(4) . . . . ?
Re1 C1 C2 C3 64.1(4) . . . . ?
C5 C1 C2 Re1 -65.4(3) . . . . ?
Si1 C1 C2 Re1 129.5(4) . . . . ?
C14 Re1 C2 C3 118.8(3) . . . . ?
C13 Re1 C2 C3 24.0(4) . . . . ?
C15 Re1 C2 C3 -152.0(4) . . . . ?
C1 Re1 C2 C3 -118.0(5) . . . . ?
C4 Re1 C2 C3 -38.4(3) . . . . ?
C5 Re1 C2 C3 -79.7(3) . . . . ?
C14 Re1 C2 C1 -123.2(3) . . . . ?
C13 Re1 C2 C1 142.0(3) . . . . ?
C15 Re1 C2 C1 -34.0(5) . . . . ?
C3 Re1 C2 C1 118.0(5) . . . . ?
C4 Re1 C2 C1 79.6(3) . . . . ?
C5 Re1 C2 C1 38.3(3) . . . . ?
C1 C2 C3 C4 0.7(6) . . . . ?
Re1 C2 C3 C4 65.1(4) . . . . ?
C1 C2 C3 Re1 -64.3(4) . . . . ?
C14 Re1 C3 C2 -68.4(4) . . . . ?
C13 Re1 C3 C2 -162.2(3) . . . . ?
C15 Re1 C3 C2 79.5(7) . . . . ?
C1 Re1 C3 C2 36.8(3) . . . . ?
C4 Re1 C3 C2 114.7(5) . . . . ?
C5 Re1 C3 C2 78.4(3) . . . . ?
C14 Re1 C3 C4 177.0(3) . . . . ?
C13 Re1 C3 C4 83.1(4) . . . . ?
C15 Re1 C3 C4 -35.2(8) . . . . ?
C2 Re1 C3 C4 -114.7(5) . . . . ?
C1 Re1 C3 C4 -77.8(3) . . . . ?
C5 Re1 C3 C4 -36.2(3) . . . . ?
C2 C3 C4 C5 0.3(6) . . . . ?
Re1 C3 C4 C5 63.8(4) . . . . ?
C2 C3 C4 Re1 -63.6(4) . . . . ?
C14 Re1 C4 C5 -122.9(4) . . . . ?
C13 Re1 C4 C5 141.9(3) . . . . ?
C15 Re1 C4 C5 48.4(4) . . . . ?
C2 Re1 C4 C5 -79.3(3) . . . . ?
C3 Re1 C4 C5 -117.8(5) . . . . ?
C1 Re1 C4 C5 -37.0(3) . . . . ?
C14 Re1 C4 C3 -5.1(6) . . . . ?
C13 Re1 C4 C3 -100.3(4) . . . . ?
C15 Re1 C4 C3 166.3(3) . . . . ?
C2 Re1 C4 C3 38.5(3) . . . . ?
C1 Re1 C4 C3 80.9(3) . . . . ?
C5 Re1 C4 C3 117.8(5) . . . . ?
C3 C4 C5 C1 -1.1(6) . . . . ?
Re1 C4 C5 C1 61.0(4) . . . . ?
C3 C4 C5 C16 171.4(5) . . . . ?
Re1 C4 C5 C16 -126.5(5) . . . . ?
C3 C4 C5 Re1 -62.1(4) . . . . ?
C2 C1 C5 C4 1.5(6) . . . . ?
Si1 C1 C5 C4 167.9(4) . . . . ?
Re1 C1 C5 C4 -61.6(4) . . . . ?
C2 C1 C5 C16 -171.0(5) . . . . ?
Si1 C1 C5 C16 -4.5(7) . . . . ?
Re1 C1 C5 C16 125.9(5) . . . . ?
C2 C1 C5 Re1 63.1(3) . . . . ?
Si1 C1 C5 Re1 -130.5(4) . . . . ?
C14 Re1 C5 C4 116.1(4) . . . . ?
C13 Re1 C5 C4 -45.0(4) . . . . ?
C15 Re1 C5 C4 -142.7(3) . . . . ?
C2 Re1 C5 C4 79.1(3) . . . . ?
C3 Re1 C5 C4 37.0(3) . . . . ?
C1 Re1 C5 C4 117.8(4) . . . . ?
C14 Re1 C5 C1 -1.7(5) . . . . ?
C13 Re1 C5 C1 -162.8(3) . . . . ?
C15 Re1 C5 C1 99.5(3) . . . . ?
C2 Re1 C5 C1 -38.7(3) . . . . ?
C3 Re1 C5 C1 -80.8(3) . . . . ?
C4 Re1 C5 C1 -117.8(4) . . . . ?
C14 Re1 C5 C16 -122.4(5) . . . . ?
C13 Re1 C5 C16 76.5(5) . . . . ?
C15 Re1 C5 C16 -21.1(5) . . . . ?
C2 Re1 C5 C16 -159.4(5) . . . . ?
C3 Re1 C5 C16 158.5(5) . . . . ?
C1 Re1 C5 C16 -120.7(6) . . . . ?
C4 Re1 C5 C16 121.5(6) . . . . ?
C7 Si1 C8 C12 -39.6(6) . . . . ?
C1 Si1 C8 C12 -156.0(5) . . . . ?
C6 Si1 C8 C12 84.3(6) . . . . ?
C7 Si1 C8 C9 140.1(5) . . . . ?
C1 Si1 C8 C9 23.7(5) . . . . ?
C6 Si1 C8 C9 -96.0(5) . . . . ?
C7 Si1 C8 Re2 51.9(4) . . . . ?
C1 Si1 C8 Re2 -64.6(3) . . . . ?
C6 Si1 C8 Re2 175.8(3) . . . . ?
C21 Re2 C8 C12 63.1(4) . . . . ?
C19 Re2 C8 C12 155.8(3) . . . . ?
C20 Re2 C8 C12 -89.4(6) . . . . ?
C11 Re2 C8 C12 -36.7(3) . . . . ?
C10 Re2 C8 C12 -78.1(3) . . . . ?
C9 Re2 C8 C12 -114.8(4) . . . . ?
C21 Re2 C8 C9 177.9(3) . . . . ?
C19 Re2 C8 C9 -89.4(3) . . . . ?
C20 Re2 C8 C9 25.4(6) . . . . ?
C12 Re2 C8 C9 114.8(4) . . . . ?
C11 Re2 C8 C9 78.1(3) . . . . ?
C10 Re2 C8 C9 36.7(3) . . . . ?
C21 Re2 C8 Si1 -64.2(4) . . . . ?
C19 Re2 C8 Si1 28.5(4) . . . . ?
C20 Re2 C8 Si1 143.3(4) . . . . ?
C12 Re2 C8 Si1 -127.3(5) . . . . ?
C11 Re2 C8 Si1 -164.0(4) . . . . ?
C10 Re2 C8 Si1 154.6(4) . . . . ?
C9 Re2 C8 Si1 117.9(4) . . . . ?
C12 C8 C9 C10 -0.4(6) . . . . ?
Si1 C8 C9 C10 179.9(4) . . . . ?
Re2 C8 C9 C10 -63.2(4) . . . . ?
C12 C8 C9 C16 -170.7(5) . . . . ?
Si1 C8 C9 C16 9.6(7) . . . . ?
Re2 C8 C9 C16 126.4(5) . . . . ?
C12 C8 C9 Re2 62.9(4) . . . . ?
Si1 C8 C9 Re2 -116.9(4) . . . . ?
C21 Re2 C9 C10 112.8(5) . . . . ?
C19 Re2 C9 C10 -145.9(3) . . . . ?
C20 Re2 C9 C10 -51.4(4) . . . . ?
C12 Re2 C9 C10 78.3(3) . . . . ?
C11 Re2 C9 C10 36.5(3) . . . . ?
C8 Re2 C9 C10 116.7(4) . . . . ?
C21 Re2 C9 C8 -3.8(6) . . . . ?
C19 Re2 C9 C8 97.4(3) . . . . ?
C20 Re2 C9 C8 -168.0(3) . . . . ?
C12 Re2 C9 C8 -38.3(3) . . . . ?
C11 Re2 C9 C8 -80.1(3) . . . . ?
C10 Re2 C9 C8 -116.7(4) . . . . ?
C21 Re2 C9 C16 -123.9(5) . . . . ?
C19 Re2 C9 C16 -22.6(5) . . . . ?
C20 Re2 C9 C16 71.9(5) . . . . ?
C12 Re2 C9 C16 -158.3(5) . . . . ?
C11 Re2 C9 C16 159.8(5) . . . . ?
C8 Re2 C9 C16 -120.0(6) . . . . ?
C10 Re2 C9 C16 123.3(6) . . . . ?
C8 C9 C10 C11 0.3(6) . . . . ?
C16 C9 C10 C11 170.4(5) . . . . ?
Re2 C9 C10 C11 -62.4(4) . . . . ?
C8 C9 C10 Re2 62.7(4) . . . . ?
C16 C9 C10 Re2 -127.2(5) . . . . ?
C21 Re2 C10 C9 -125.3(4) . . . . ?
C19 Re2 C10 C9 43.8(4) . . . . ?
C20 Re2 C10 C9 137.3(3) . . . . ?
C12 Re2 C10 C9 -80.3(3) . . . . ?
C11 Re2 C10 C9 -118.3(5) . . . . ?
C8 Re2 C10 C9 -38.0(3) . . . . ?
C21 Re2 C10 C11 -7.0(5) . . . . ?
C19 Re2 C10 C11 162.1(3) . . . . ?
C20 Re2 C10 C11 -104.5(3) . . . . ?
C12 Re2 C10 C11 38.0(3) . . . . ?
C8 Re2 C10 C11 80.2(3) . . . . ?
C9 Re2 C10 C11 118.3(5) . . . . ?
C9 C10 C11 C12 -0.2(6) . . . . ?
Re2 C10 C11 C12 -63.2(4) . . . . ?
C9 C10 C11 Re2 63.0(4) . . . . ?
C21 Re2 C11 C12 -68.6(4) . . . . ?
C19 Re2 C11 C12 72.9(7) . . . . ?
C20 Re2 C11 C12 -162.9(3) . . . . ?
C8 Re2 C11 C12 37.0(3) . . . . ?
C10 Re2 C11 C12 115.7(5) . . . . ?
C9 Re2 C11 C12 79.5(3) . . . . ?
C21 Re2 C11 C10 175.7(3) . . . . ?
C19 Re2 C11 C10 -42.8(7) . . . . ?
C20 Re2 C11 C10 81.4(3) . . . . ?
C12 Re2 C11 C10 -115.7(5) . . . . ?
C8 Re2 C11 C10 -78.6(3) . . . . ?
C9 Re2 C11 C10 -36.1(3) . . . . ?
C10 C11 C12 C8 -0.1(6) . . . . ?
Re2 C11 C12 C8 -64.3(4) . . . . ?
C10 C11 C12 Re2 64.2(4) . . . . ?
C9 C8 C12 C11 0.3(6) . . . . ?
Si1 C8 C12 C11 -180.0(4) . . . . ?
Re2 C8 C12 C11 64.2(4) . . . . ?
C9 C8 C12 Re2 -63.9(4) . . . . ?
Si1 C8 C12 Re2 115.9(5) . . . . ?
C21 Re2 C12 C11 118.1(3) . . . . ?
C19 Re2 C12 C11 -151.3(3) . . . . ?
C20 Re2 C12 C11 24.7(5) . . . . ?
C8 Re2 C12 C11 -117.6(5) . . . . ?
C10 Re2 C12 C11 -37.7(3) . . . . ?
C9 Re2 C12 C11 -78.9(3) . . . . ?
C21 Re2 C12 C8 -124.4(3) . . . . ?
C19 Re2 C12 C8 -33.8(4) . . . . ?
C20 Re2 C12 C8 142.3(4) . . . . ?
C11 Re2 C12 C8 117.6(5) . . . . ?
C10 Re2 C12 C8 79.9(3) . . . . ?
C9 Re2 C12 C8 38.7(3) . . . . ?
C14 Re1 C13 O1 -127(6) . . . . ?
C15 Re1 C13 O1 146(6) . . . . ?
C2 Re1 C13 O1 -31(6) . . . . ?
C3 Re1 C13 O1 -17(6) . . . . ?
C1 Re1 C13 O1 21(6) . . . . ?
C4 Re1 C13 O1 19(6) . . . . ?
C5 Re1 C13 O1 43(6) . . . . ?
C13 Re1 C14 O2 130(12) . . . . ?
C15 Re1 C14 O2 -139(12) . . . . ?
C2 Re1 C14 O2 -2(12) . . . . ?
C3 Re1 C14 O2 31(12) . . . . ?
C1 Re1 C14 O2 -35(12) . . . . ?
C4 Re1 C14 O2 34(12) . . . . ?
C5 Re1 C14 O2 -34(12) . . . . ?
C14 Re1 C15 O3 98(14) . . . . ?
C13 Re1 C15 O3 -171(14) . . . . ?
C2 Re1 C15 O3 6(14) . . . . ?
C3 Re1 C15 O3 -52(14) . . . . ?
C1 Re1 C15 O3 -14(14) . . . . ?
C4 Re1 C15 O3 -77(14) . . . . ?
C5 Re1 C15 O3 -51(14) . . . . ?
C10 C9 C16 C17 28.9(7) . . . . ?
C8 C9 C16 C17 -162.6(5) . . . . ?
Re2 C9 C16 C17 -68.4(6) . . . . ?
C10 C9 C16 C18 -90.6(6) . . . . ?
C8 C9 C16 C18 77.9(6) . . . . ?
Re2 C9 C16 C18 172.1(4) . . . . ?
C10 C9 C16 C5 149.0(5) . . . . ?
C8 C9 C16 C5 -42.5(6) . . . . ?
Re2 C9 C16 C5 51.7(6) . . . . ?
C4 C5 C16 C17 -10.6(7) . . . . ?
C1 C5 C16 C17 160.5(5) . . . . ?
Re1 C5 C16 C17 -105.8(5) . . . . ?
C4 C5 C16 C18 112.9(6) . . . . ?
C1 C5 C16 C18 -75.9(6) . . . . ?
Re1 C5 C16 C18 17.7(6) . . . . ?
C4 C5 C16 C9 -131.0(5) . . . . ?
C1 C5 C16 C9 40.1(6) . . . . ?
Re1 C5 C16 C9 133.8(4) . . . . ?
C21 Re2 C19 O4 63(30) . . . . ?
C20 Re2 C19 O4 153(30) . . . . ?
C12 Re2 C19 O4 -29(30) . . . . ?
C11 Re2 C19 O4 -80(30) . . . . ?
C8 Re2 C19 O4 -49(30) . . . . ?
C10 Re2 C19 O4 -110(30) . . . . ?
C9 Re2 C19 O4 -86(30) . . . . ?
C21 Re2 C20 O5 -100(8) . . . . ?
C19 Re2 C20 O5 172(8) . . . . ?
C12 Re2 C20 O5 -5(8) . . . . ?
C11 Re2 C20 O5 10(8) . . . . ?
C8 Re2 C20 O5 55(8) . . . . ?
C10 Re2 C20 O5 45(8) . . . . ?
C9 Re2 C20 O5 72(8) . . . . ?
C19 Re2 C21 O6 -142(12) . . . . ?
C20 Re2 C21 O6 128(12) . . . . ?
C12 Re2 C21 O6 -9(12) . . . . ?
C11 Re2 C21 O6 25(12) . . . . ?
C8 Re2 C21 O6 -41(12) . . . . ?
C10 Re2 C21 O6 29(13) . . . . ?
C9 Re2 C21 O6 -38(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.194
_refine_diff_density_min         -1.496
_refine_diff_density_rms         0.197
_database_code_depnum_ccdc_archive 'CCDC 1017443'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_111115a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        3b
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H28 O12 Re4'
_chemical_formula_weight         1421.40

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'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.9128(7)
_cell_length_b                   11.5018(10)
_cell_length_c                   12.3133(10)
_cell_angle_alpha                63.2580(10)
_cell_angle_beta                 73.7350(10)
_cell_angle_gamma                74.9240(10)
_cell_volume                     948.91(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3789
_cell_measurement_theta_min      2.87
_cell_measurement_theta_max      28.30

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             652
_exptl_absorpt_coefficient_mu    12.777
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.2502
_exptl_absorpt_correction_T_max  0.2874
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4872
_diffrn_reflns_av_R_equivalents  0.0125
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.89
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3321
_reflns_number_gt                2948
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0252P)²+1.2961P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    CONSTR
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0119(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3321
_refine_ls_number_parameters     247
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0230
_refine_ls_R_factor_gt           0.0196
_refine_ls_wR_factor_ref         0.0507
_refine_ls_wR_factor_gt          0.0490
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.23223(2) 0.176069(18) 0.553550(18) 0.03765(9) Uani 1 1 d . . .
Re2 Re 0.35692(2) 0.434693(19) 0.843343(16) 0.03690(9) Uani 1 1 d . . .
O1 O 0.6355(5) 0.1702(4) 0.4877(4) 0.0574(10) Uani 1 1 d . . .
O2 O 0.2403(8) 0.1241(5) 0.3303(4) 0.0860(15) Uani 1 1 d . . .
O3 O 0.1878(6) 0.4736(4) 0.4038(5) 0.0746(13) Uani 1 1 d . . .
O4 O 0.7010(6) 0.2778(5) 0.9342(5) 0.0829(15) Uani 1 1 d . . .
O5 O 0.1575(7) 0.3875(7) 1.1067(4) 0.109(2) Uani 1 1 d . . .
O6 O 0.4536(9) 0.6906(5) 0.8106(5) 0.0968(18) Uani 1 1 d . . .
C1 C 0.1775(6) 0.1225(5) 0.7637(4) 0.0381(11) Uani 1 1 d . . .
C2 C 0.2215(8) 0.0028(5) 0.7452(5) 0.0501(13) Uani 1 1 d . . .
H2 H 0.3198 -0.0621 0.7660 0.060 Uiso 1 1 calc R . .
C3 C 0.0881(8) 0.0009(6) 0.6893(6) 0.0598(16) Uani 1 1 d . . .
H3 H 0.0838 -0.0656 0.6673 0.072 Uiso 1 1 calc R . .
C4 C -0.0367(8) 0.1173(6) 0.6731(6) 0.0583(15) Uani 1 1 d . . .
H4 H -0.1375 0.1411 0.6384 0.070 Uiso 1 1 calc R . .
C5 C 0.0179(6) 0.1904(6) 0.7183(5) 0.0468(12) Uani 1 1 d . . .
H5 H -0.0415 0.2715 0.7186 0.056 Uiso 1 1 calc R . .
C6 C 0.2700(6) 0.1566(5) 0.8363(4) 0.0371(10) Uani 1 1 d . . .
C7 C 0.4617(7) 0.0814(5) 0.8375(5) 0.0497(13) Uani 1 1 d . . .
H7A H 0.4587 -0.0116 0.8802 0.075 Uiso 1 1 calc R . .
H7B H 0.5208 0.1077 0.8791 0.075 Uiso 1 1 calc R . .
H7C H 0.5251 0.1012 0.7539 0.075 Uiso 1 1 calc R . .
C8 C 0.1651(8) 0.1128(6) 0.9706(5) 0.0517(13) Uani 1 1 d . . .
H8A H 0.0443 0.1575 0.9709 0.078 Uiso 1 1 calc R . .
H8B H 0.2196 0.1343 1.0183 0.078 Uiso 1 1 calc R . .
H8C H 0.1660 0.0193 1.0062 0.078 Uiso 1 1 calc R . .
C9 C 0.2704(6) 0.3045(5) 0.7764(4) 0.0350(10) Uani 1 1 d . . .
C10 C 0.4097(7) 0.3702(5) 0.6843(4) 0.0436(12) Uani 1 1 d . . .
H10 H 0.5217 0.3297 0.6584 0.052 Uiso 1 1 calc R . .
C11 C 0.3487(9) 0.5066(6) 0.6393(5) 0.0530(14) Uani 1 1 d . . .
H11 H 0.4138 0.5717 0.5788 0.064 Uiso 1 1 calc R . .
C12 C 0.1732(8) 0.5284(5) 0.7010(5) 0.0531(14) Uani 1 1 d . . .
H12 H 0.1013 0.6098 0.6882 0.064 Uiso 1 1 calc R . .
C13 C 0.1256(7) 0.4042(5) 0.7861(5) 0.0446(12) Uani 1 1 d . . .
H13 H 0.0167 0.3901 0.8399 0.054 Uiso 1 1 calc R . .
C14 C 0.4836(7) 0.1718(5) 0.5102(4) 0.0397(11) Uani 1 1 d . . .
C15 C 0.2399(8) 0.1477(6) 0.4111(5) 0.0537(14) Uani 1 1 d . . .
C16 C 0.2051(7) 0.3623(5) 0.4577(5) 0.0477(12) Uani 1 1 d . . .
C17 C 0.5709(7) 0.3378(6) 0.9036(5) 0.0515(14) Uani 1 1 d . . .
C18 C 0.2368(8) 0.4054(7) 1.0078(6) 0.0641(17) Uani 1 1 d . . .
C19 C 0.4180(9) 0.5926(6) 0.8274(5) 0.0611(16) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C14 1.903(5) . ?
Re1 C15 1.906(6) . ?
Re1 C16 1.912(6) . ?
Re1 C5 2.290(5) . ?
Re1 C4 2.291(6) . ?
Re1 C3 2.292(5) . ?
Re1 C2 2.300(5) . ?
Re1 C1 2.311(5) . ?
Re2 C18 1.896(6) . ?
Re2 C17 1.907(6) . ?
Re2 C19 1.912(6) . ?
Re2 C11 2.279(5) . ?
Re2 C13 2.291(5) . ?
Re2 C10 2.291(5) . ?
Re2 C12 2.293(5) . ?
Re2 C9 2.313(5) . ?
O1 C14 1.152(6) . ?
O2 C15 1.142(7) . ?
O3 C16 1.138(6) . ?
O4 C17 1.137(6) . ?
O5 C18 1.154(7) . ?
O6 C19 1.146(7) . ?
C1 C5 1.417(7) . ?
C1 C2 1.435(7) . ?
C1 C6 1.522(7) . ?
C2 C3 1.421(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.410(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.396(8) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C9 1.521(7) . ?
C6 C7 1.538(7) . ?
C6 C8 1.542(7) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C13 1.416(7) . ?
C9 C10 1.426(7) . ?
C10 C11 1.406(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.403(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.411(7) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?

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
C14 Re1 C15 89.5(2) . . ?
C14 Re1 C16 88.5(2) . . ?
C15 Re1 C16 90.3(2) . . ?
C14 Re1 C5 134.53(19) . . ?
C15 Re1 C5 135.8(2) . . ?
C16 Re1 C5 94.3(2) . . ?
C14 Re1 C4 157.9(2) . . ?
C15 Re1 C4 102.3(2) . . ?
C16 Re1 C4 109.8(2) . . ?
C5 Re1 C4 35.5(2) . . ?
C14 Re1 C3 125.6(2) . . ?
C15 Re1 C3 94.5(2) . . ?
C16 Re1 C3 145.5(2) . . ?
C5 Re1 C3 59.3(2) . . ?
C4 Re1 C3 35.8(2) . . ?
C14 Re1 C2 98.0(2) . . ?
C15 Re1 C2 120.3(2) . . ?
C16 Re1 C2 148.6(2) . . ?
C5 Re1 C2 59.6(2) . . ?
C4 Re1 C2 59.9(2) . . ?
C3 Re1 C2 36.0(2) . . ?
C14 Re1 C1 102.17(19) . . ?
C15 Re1 C1 154.5(2) . . ?
C16 Re1 C1 112.4(2) . . ?
C5 Re1 C1 35.86(18) . . ?
C4 Re1 C1 60.00(19) . . ?
C3 Re1 C1 60.19(19) . . ?
C2 Re1 C1 36.25(18) . . ?
C18 Re2 C17 89.5(2) . . ?
C18 Re2 C19 89.2(3) . . ?
C17 Re2 C19 89.7(3) . . ?
C18 Re2 C11 149.9(2) . . ?
C17 Re2 C11 120.1(2) . . ?
C19 Re2 C11 95.6(2) . . ?
C18 Re2 C13 95.1(2) . . ?
C17 Re2 C13 139.7(2) . . ?
C19 Re2 C13 130.3(2) . . ?
C11 Re2 C13 59.5(2) . . ?
C18 Re2 C10 145.7(3) . . ?
C17 Re2 C10 96.2(2) . . ?
C19 Re2 C10 124.5(2) . . ?
C11 Re2 C10 35.8(2) . . ?
C13 Re2 C10 59.59(19) . . ?
C18 Re2 C12 114.2(2) . . ?
C17 Re2 C12 154.9(2) . . ?
C19 Re2 C12 98.4(2) . . ?
C11 Re2 C12 35.7(2) . . ?
C13 Re2 C12 35.85(19) . . ?
C10 Re2 C12 59.7(2) . . ?
C18 Re2 C9 109.9(3) . . ?
C17 Re2 C9 105.5(2) . . ?
C19 Re2 C9 155.3(2) . . ?
C11 Re2 C9 59.98(18) . . ?
C13 Re2 C9 35.82(17) . . ?
C10 Re2 C9 36.08(17) . . ?
C12 Re2 C9 59.98(18) . . ?
C5 C1 C2 106.3(5) . . ?
C5 C1 C6 127.5(5) . . ?
C2 C1 C6 125.5(4) . . ?
C5 C1 Re1 71.3(3) . . ?
C2 C1 Re1 71.5(3) . . ?
C6 C1 Re1 129.2(3) . . ?
C3 C2 C1 107.8(5) . . ?
C3 C2 Re1 71.6(3) . . ?
C1 C2 Re1 72.3(3) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Re1 C2 H2 121.7 . . ?
C4 C3 C2 108.2(5) . . ?
C4 C3 Re1 72.1(3) . . ?
C2 C3 Re1 72.3(3) . . ?
C4 C3 H3 125.9 . . ?
C2 C3 H3 125.9 . . ?
Re1 C3 H3 121.4 . . ?
C5 C4 C3 107.8(5) . . ?
C5 C4 Re1 72.2(3) . . ?
C3 C4 Re1 72.1(3) . . ?
C5 C4 H4 126.1 . . ?
C3 C4 H4 126.1 . . ?
Re1 C4 H4 121.4 . . ?
C4 C5 C1 109.8(5) . . ?
C4 C5 Re1 72.3(3) . . ?
C1 C5 Re1 72.9(3) . . ?
C4 C5 H5 125.1 . . ?
C1 C5 H5 125.1 . . ?
Re1 C5 H5 121.4 . . ?
C9 C6 C1 108.6(4) . . ?
C9 C6 C7 110.6(4) . . ?
C1 C6 C7 110.3(4) . . ?
C9 C6 C8 111.0(4) . . ?
C1 C6 C8 107.7(4) . . ?
C7 C6 C8 108.7(4) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 C9 C10 106.5(4) . . ?
C13 C9 C6 127.2(4) . . ?
C10 C9 C6 125.7(4) . . ?
C13 C9 Re2 71.3(3) . . ?
C10 C9 Re2 71.1(3) . . ?
C6 C9 Re2 129.6(3) . . ?
C11 C10 C9 108.3(5) . . ?
C11 C10 Re2 71.6(3) . . ?
C9 C10 Re2 72.8(3) . . ?
C11 C10 H10 125.9 . . ?
C9 C10 H10 125.9 . . ?
Re2 C10 H10 121.5 . . ?
C12 C11 C10 108.7(5) . . ?
C12 C11 Re2 72.7(3) . . ?
C10 C11 Re2 72.6(3) . . ?
C12 C11 H11 125.7 . . ?
C10 C11 H11 125.7 . . ?
Re2 C11 H11 120.8 . . ?
C11 C12 C13 107.5(5) . . ?
C11 C12 Re2 71.6(3) . . ?
C13 C12 Re2 72.0(3) . . ?
C11 C12 H12 126.3 . . ?
C13 C12 H12 126.3 . . ?
Re2 C12 H12 121.9 . . ?
C12 C13 C9 109.1(5) . . ?
C12 C13 Re2 72.2(3) . . ?
C9 C13 Re2 72.9(3) . . ?
C12 C13 H13 125.5 . . ?
C9 C13 H13 125.5 . . ?
Re2 C13 H13 121.1 . . ?
O1 C14 Re1 177.5(5) . . ?
O2 C15 Re1 176.0(5) . . ?
O3 C16 Re1 178.0(5) . . ?
O4 C17 Re2 176.2(5) . . ?
O5 C18 Re2 177.2(6) . . ?
O6 C19 Re2 175.9(5) . . ?

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
C14 Re1 C1 C5 157.9(3) . . . . ?
C15 Re1 C1 C5 -86.7(6) . . . . ?
C16 Re1 C1 C5 64.4(3) . . . . ?
C4 Re1 C1 C5 -36.3(3) . . . . ?
C3 Re1 C1 C5 -77.8(4) . . . . ?
C2 Re1 C1 C5 -115.2(4) . . . . ?
C14 Re1 C1 C2 -86.9(3) . . . . ?
C15 Re1 C1 C2 28.6(6) . . . . ?
C16 Re1 C1 C2 179.7(3) . . . . ?
C5 Re1 C1 C2 115.2(4) . . . . ?
C4 Re1 C1 C2 79.0(3) . . . . ?
C3 Re1 C1 C2 37.4(3) . . . . ?
C14 Re1 C1 C6 34.3(5) . . . . ?
C15 Re1 C1 C6 149.8(5) . . . . ?
C16 Re1 C1 C6 -59.2(5) . . . . ?
C5 Re1 C1 C6 -123.6(6) . . . . ?
C4 Re1 C1 C6 -159.8(5) . . . . ?
C3 Re1 C1 C6 158.6(5) . . . . ?
C2 Re1 C1 C6 121.2(6) . . . . ?
C5 C1 C2 C3 -0.1(6) . . . . ?
C6 C1 C2 C3 171.4(5) . . . . ?
Re1 C1 C2 C3 -63.2(4) . . . . ?
C5 C1 C2 Re1 63.2(3) . . . . ?
C6 C1 C2 Re1 -125.4(5) . . . . ?
C14 Re1 C2 C3 -143.9(4) . . . . ?
C15 Re1 C2 C3 -49.8(4) . . . . ?
C16 Re1 C2 C3 115.8(5) . . . . ?
C5 Re1 C2 C3 78.5(4) . . . . ?
C4 Re1 C2 C3 37.2(4) . . . . ?
C1 Re1 C2 C3 116.4(5) . . . . ?
C14 Re1 C2 C1 99.7(3) . . . . ?
C15 Re1 C2 C1 -166.2(3) . . . . ?
C16 Re1 C2 C1 -0.6(6) . . . . ?
C5 Re1 C2 C1 -37.9(3) . . . . ?
C4 Re1 C2 C1 -79.2(3) . . . . ?
C3 Re1 C2 C1 -116.4(5) . . . . ?
C1 C2 C3 C4 0.1(6) . . . . ?
Re1 C2 C3 C4 -63.6(4) . . . . ?
C1 C2 C3 Re1 63.7(3) . . . . ?
C14 Re1 C3 C4 162.6(3) . . . . ?
C15 Re1 C3 C4 -104.8(4) . . . . ?
C16 Re1 C3 C4 -7.6(6) . . . . ?
C5 Re1 C3 C4 37.3(3) . . . . ?
C2 Re1 C3 C4 116.6(5) . . . . ?
C1 Re1 C3 C4 79.0(4) . . . . ?
C14 Re1 C3 C2 46.0(4) . . . . ?
C15 Re1 C3 C2 138.6(4) . . . . ?
C16 Re1 C3 C2 -124.2(4) . . . . ?
C5 Re1 C3 C2 -79.4(4) . . . . ?
C4 Re1 C3 C2 -116.6(5) . . . . ?
C1 Re1 C3 C2 -37.6(3) . . . . ?
C2 C3 C4 C5 -0.1(7) . . . . ?
Re1 C3 C4 C5 -63.8(4) . . . . ?
C2 C3 C4 Re1 63.7(4) . . . . ?
C14 Re1 C4 C5 75.9(7) . . . . ?
C15 Re1 C4 C5 -163.2(4) . . . . ?
C16 Re1 C4 C5 -68.4(4) . . . . ?
C3 Re1 C4 C5 116.2(5) . . . . ?
C2 Re1 C4 C5 78.8(4) . . . . ?
C1 Re1 C4 C5 36.6(3) . . . . ?
C14 Re1 C4 C3 -40.3(7) . . . . ?
C15 Re1 C4 C3 80.6(4) . . . . ?
C16 Re1 C4 C3 175.4(4) . . . . ?
C5 Re1 C4 C3 -116.2(5) . . . . ?
C2 Re1 C4 C3 -37.4(3) . . . . ?
C1 Re1 C4 C3 -79.6(4) . . . . ?
C3 C4 C5 C1 0.1(7) . . . . ?
Re1 C4 C5 C1 -63.7(4) . . . . ?
C3 C4 C5 Re1 63.7(4) . . . . ?
C2 C1 C5 C4 0.0(6) . . . . ?
C6 C1 C5 C4 -171.2(5) . . . . ?
Re1 C1 C5 C4 63.3(4) . . . . ?
C2 C1 C5 Re1 -63.3(3) . . . . ?
C6 C1 C5 Re1 125.5(5) . . . . ?
C14 Re1 C5 C4 -149.2(4) . . . . ?
C15 Re1 C5 C4 23.9(5) . . . . ?
C16 Re1 C5 C4 118.7(4) . . . . ?
C3 Re1 C5 C4 -37.6(4) . . . . ?
C2 Re1 C5 C4 -79.7(4) . . . . ?
C1 Re1 C5 C4 -118.1(5) . . . . ?
C14 Re1 C5 C1 -31.1(4) . . . . ?
C15 Re1 C5 C1 141.9(3) . . . . ?
C16 Re1 C5 C1 -123.2(3) . . . . ?
C4 Re1 C5 C1 118.1(5) . . . . ?
C3 Re1 C5 C1 80.4(3) . . . . ?
C2 Re1 C5 C1 38.3(3) . . . . ?
C5 C1 C6 C9 -43.7(6) . . . . ?
C2 C1 C6 C9 146.7(5) . . . . ?
Re1 C1 C6 C9 52.2(5) . . . . ?
C5 C1 C6 C7 -165.0(5) . . . . ?
C2 C1 C6 C7 25.4(6) . . . . ?
Re1 C1 C6 C7 -69.1(5) . . . . ?
C5 C1 C6 C8 76.6(6) . . . . ?
C2 C1 C6 C8 -93.0(6) . . . . ?
Re1 C1 C6 C8 172.5(4) . . . . ?
C1 C6 C9 C13 76.6(6) . . . . ?
C7 C6 C9 C13 -162.3(5) . . . . ?
C8 C6 C9 C13 -41.6(6) . . . . ?
C1 C6 C9 C10 -93.0(5) . . . . ?
C7 C6 C9 C10 28.2(6) . . . . ?
C8 C6 C9 C10 148.8(5) . . . . ?
C1 C6 C9 Re2 172.5(3) . . . . ?
C7 C6 C9 Re2 -66.3(5) . . . . ?
C8 C6 C9 Re2 54.4(5) . . . . ?
C18 Re2 C9 C13 70.1(3) . . . . ?
C17 Re2 C9 C13 165.4(3) . . . . ?
C19 Re2 C9 C13 -68.5(7) . . . . ?
C11 Re2 C9 C13 -78.5(3) . . . . ?
C10 Re2 C9 C13 -115.6(4) . . . . ?
C12 Re2 C9 C13 -37.0(3) . . . . ?
C18 Re2 C9 C10 -174.3(3) . . . . ?
C17 Re2 C9 C10 -79.0(3) . . . . ?
C19 Re2 C9 C10 47.2(7) . . . . ?
C11 Re2 C9 C10 37.2(3) . . . . ?
C13 Re2 C9 C10 115.6(4) . . . . ?
C12 Re2 C9 C10 78.7(3) . . . . ?
C18 Re2 C9 C6 -53.1(5) . . . . ?
C17 Re2 C9 C6 42.2(4) . . . . ?
C19 Re2 C9 C6 168.3(6) . . . . ?
C11 Re2 C9 C6 158.3(5) . . . . ?
C13 Re2 C9 C6 -123.2(5) . . . . ?
C10 Re2 C9 C6 121.2(5) . . . . ?
C12 Re2 C9 C6 -160.2(5) . . . . ?
C13 C9 C10 C11 -0.3(5) . . . . ?
C6 C9 C10 C11 171.1(4) . . . . ?
Re2 C9 C10 C11 -63.2(3) . . . . ?
C13 C9 C10 Re2 62.9(3) . . . . ?
C6 C9 C10 Re2 -125.7(4) . . . . ?
C18 Re2 C10 C11 126.3(4) . . . . ?
C17 Re2 C10 C11 -135.4(4) . . . . ?
C19 Re2 C10 C11 -41.4(5) . . . . ?
C13 Re2 C10 C11 79.0(4) . . . . ?
C12 Re2 C10 C11 37.2(3) . . . . ?
C9 Re2 C10 C11 116.7(5) . . . . ?
C18 Re2 C10 C9 9.6(5) . . . . ?
C17 Re2 C10 C9 107.9(3) . . . . ?
C19 Re2 C10 C9 -158.1(3) . . . . ?
C11 Re2 C10 C9 -116.7(5) . . . . ?
C13 Re2 C10 C9 -37.7(3) . . . . ?
C12 Re2 C10 C9 -79.5(3) . . . . ?
C9 C10 C11 C12 -0.2(6) . . . . ?
Re2 C10 C11 C12 -64.2(4) . . . . ?
C9 C10 C11 Re2 64.0(3) . . . . ?
C18 Re2 C11 C12 1.6(7) . . . . ?
C17 Re2 C11 C12 170.5(3) . . . . ?
C19 Re2 C11 C12 -96.5(4) . . . . ?
C13 Re2 C11 C12 37.6(3) . . . . ?
C10 Re2 C11 C12 116.7(5) . . . . ?
C9 Re2 C11 C12 79.3(3) . . . . ?
C18 Re2 C11 C10 -115.1(6) . . . . ?
C17 Re2 C11 C10 53.9(4) . . . . ?
C19 Re2 C11 C10 146.8(4) . . . . ?
C13 Re2 C11 C10 -79.1(3) . . . . ?
C12 Re2 C11 C10 -116.7(5) . . . . ?
C9 Re2 C11 C10 -37.4(3) . . . . ?
C10 C11 C12 C13 0.7(6) . . . . ?
Re2 C11 C12 C13 -63.5(4) . . . . ?
C10 C11 C12 Re2 64.1(4) . . . . ?
C18 Re2 C12 C11 -179.1(4) . . . . ?
C17 Re2 C12 C11 -19.6(7) . . . . ?
C19 Re2 C12 C11 88.0(4) . . . . ?
C13 Re2 C12 C11 -116.2(5) . . . . ?
C10 Re2 C12 C11 -37.3(3) . . . . ?
C9 Re2 C12 C11 -79.3(3) . . . . ?
C18 Re2 C12 C13 -62.9(4) . . . . ?
C17 Re2 C12 C13 96.6(6) . . . . ?
C19 Re2 C12 C13 -155.8(4) . . . . ?
C11 Re2 C12 C13 116.2(5) . . . . ?
C10 Re2 C12 C13 78.9(3) . . . . ?
C9 Re2 C12 C13 36.9(3) . . . . ?
C11 C12 C13 C9 -0.9(6) . . . . ?
Re2 C12 C13 C9 -64.1(3) . . . . ?
C11 C12 C13 Re2 63.2(4) . . . . ?
C10 C9 C13 C12 0.7(6) . . . . ?
C6 C9 C13 C12 -170.5(4) . . . . ?
Re2 C9 C13 C12 63.6(4) . . . . ?
C10 C9 C13 Re2 -62.8(3) . . . . ?
C6 C9 C13 Re2 126.0(5) . . . . ?
C18 Re2 C13 C12 125.3(4) . . . . ?
C17 Re2 C13 C12 -139.4(4) . . . . ?
C19 Re2 C13 C12 32.1(5) . . . . ?
C11 Re2 C13 C12 -37.4(3) . . . . ?
C10 Re2 C13 C12 -79.2(4) . . . . ?
C9 Re2 C13 C12 -117.2(5) . . . . ?
C18 Re2 C13 C9 -117.4(3) . . . . ?
C17 Re2 C13 C9 -22.1(5) . . . . ?
C19 Re2 C13 C9 149.3(3) . . . . ?
C11 Re2 C13 C9 79.8(3) . . . . ?
C10 Re2 C13 C9 38.0(3) . . . . ?
C12 Re2 C13 C9 117.2(5) . . . . ?
C15 Re1 C14 O1 179(100) . . . . ?
C16 Re1 C14 O1 88(10) . . . . ?
C5 Re1 C14 O1 -6(10) . . . . ?
C4 Re1 C14 O1 -58(10) . . . . ?
C3 Re1 C14 O1 -86(10) . . . . ?
C2 Re1 C14 O1 -61(10) . . . . ?
C1 Re1 C14 O1 -24(10) . . . . ?
C14 Re1 C15 O2 121(9) . . . . ?
C16 Re1 C15 O2 -151(9) . . . . ?
C5 Re1 C15 O2 -54(9) . . . . ?
C4 Re1 C15 O2 -40(9) . . . . ?
C3 Re1 C15 O2 -5(9) . . . . ?
C2 Re1 C15 O2 22(9) . . . . ?
C1 Re1 C15 O2 3(9) . . . . ?
C14 Re1 C16 O3 -101(13) . . . . ?
C15 Re1 C16 O3 169(13) . . . . ?
C5 Re1 C16 O3 33(13) . . . . ?
C4 Re1 C16 O3 66(13) . . . . ?
C3 Re1 C16 O3 71(13) . . . . ?
C2 Re1 C16 O3 2(13) . . . . ?
C1 Re1 C16 O3 1(13) . . . . ?
C18 Re2 C17 O4 148(9) . . . . ?
C19 Re2 C17 O4 -122(9) . . . . ?
C11 Re2 C17 O4 -26(9) . . . . ?
C13 Re2 C17 O4 51(9) . . . . ?
C10 Re2 C17 O4 2(9) . . . . ?
C12 Re2 C17 O4 -13(9) . . . . ?
C9 Re2 C17 O4 38(9) . . . . ?
C17 Re2 C18 O5 -147(14) . . . . ?
C19 Re2 C18 O5 123(14) . . . . ?
C11 Re2 C18 O5 23(14) . . . . ?
C13 Re2 C18 O5 -7(14) . . . . ?
C10 Re2 C18 O5 -47(14) . . . . ?
C12 Re2 C18 O5 24(14) . . . . ?
C9 Re2 C18 O5 -41(14) . . . . ?
C18 Re2 C19 O6 -146(9) . . . . ?
C17 Re2 C19 O6 125(9) . . . . ?
C11 Re2 C19 O6 5(9) . . . . ?
C13 Re2 C19 O6 -50(9) . . . . ?
C10 Re2 C19 O6 28(9) . . . . ?
C12 Re2 C19 O6 -31(9) . . . . ?
C9 Re2 C19 O6 -4(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.292
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.100
_database_code_depnum_ccdc_archive 'CCDC 1017444'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n130729a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        6
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H18 Br2 O5 Re2 Si'
_chemical_formula_weight         898.65

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.0866(14)
_cell_length_b                   14.1531(16)
_cell_length_c                   13.5893(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.256(2)
_cell_angle_gamma                90.00
_cell_volume                     2312.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    4841
_cell_measurement_theta_min      2.88
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    2.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1648
_exptl_absorpt_coefficient_mu    13.996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1873
_exptl_absorpt_correction_T_max  0.2634
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11592
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_av_unetI/netI     0.0618
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4077
_reflns_number_gt                3733
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
TITL n130729a in P2(1)/c
CELL 0.71073  13.0866  14.1531  13.5893  90.000 113.256  90.000
ZERR    4.00   0.0014   0.0016   0.0015   0.000   0.002   0.000
LATT 1
SYMM -X, 0.5+Y, 0.5-Z
SFAC C  H  O  Si Br Re
UNIT 80 72 20 4 8 8
OMIT  -3.00  50.02
L.S. 100
ACTA
BOND $h
FMAP 2
PLAN 20
dfix 3.06 0.01 c9 c10 c9' c10'
dfix 1.50 0.01 c1 c2 c1 c3  c1' c2' c1' c3'
dfix 1.80 0.01 si1 c9 si1 c10 si1' c9' si1' c10'
dfix 1.63 0.01 c1 c12 c1 c4 c1' c5 c1' c11
dfix 1.84 0.01 si1 c11 si1 c5 si1' c4 si1' c12
dfix 2.50 0.01 c2 c3 c2' c3'
eadp si1 si1' c1 c1'
eadp c2 c2'
eadp c3 c3'
eadp c9 c9'
eadp c10 c10'
size 0.18 0.14 0.13
htab
simu 0.001 c1' c2' c3'
isor 0.005 c5
conf
BIND C1'  C5
BIND C1'  C11
TEMP -100
WGHT    0.000000   30.457184
FVAR       0.04741   0.81860
RE1   6    0.187096    0.473259    0.429539    11.00000    0.01754    0.01060 =
         0.01306    0.00011    0.00918   -0.00156
RE2   6    0.388548    0.566866    0.118310    11.00000    0.02963    0.02438 =
         0.01358   -0.00172    0.01142   -0.01461
BR1   5    0.085951    0.619940    0.460163    11.00000    0.02866    0.01848 =
         0.02982   -0.00589    0.01681    0.00207
BR2   5    0.183096    0.289998    0.434466    11.00000    0.04762    0.01081 =
         0.02886    0.00514    0.02134   -0.00034
O1    3   -0.058745    0.426081    0.288490    11.00000    0.02890    0.03529 =
         0.02626   -0.00793    0.00764   -0.00727
O2    3    0.212399    0.433732    0.662471    11.00000    0.04468    0.04119 =
         0.01750    0.01074    0.01819    0.00324
O3    3    0.510475    0.706420    0.031192    11.00000    0.08246    0.08396 =
         0.02805   -0.00915    0.02385   -0.06693
O4    3    0.495902    0.648237    0.344697    11.00000    0.03967    0.05627 =
         0.01927   -0.01211    0.00941   -0.02426
O5    3    0.581931    0.426515    0.180242    11.00000    0.04989    0.06277 =
         0.05571   -0.01213    0.01985   -0.00332
PART 1  21
SI1   4    0.239695    0.379308    0.197027    21.00000    0.02459    0.00408 =
         0.01776    0.00313    0.01148    0.00290
C1    1    0.171373    0.607993    0.202528    21.00000    0.02459    0.00408 =
         0.01776    0.00313    0.01148    0.00290
C2    1    0.190286    0.713325    0.222090    21.00000    0.02675    0.00578 =
         0.01958    0.00309    0.01068    0.00296
AFIX 137
H2A   2    0.146819    0.747791    0.156236    21.00000   -1.20000
H2B   2    0.269456    0.727503    0.243471    21.00000   -1.20000
H2C   2    0.166798    0.732711    0.279199    21.00000   -1.20000
AFIX   0
C3    1    0.047104    0.586886    0.162133    21.00000    0.02550    0.00663 =
         0.01917    0.00328    0.01006    0.00363
AFIX 137
H3A   2    0.019232    0.606697    0.216086    21.00000   -1.20000
H3B   2    0.034748    0.518921    0.149028    21.00000   -1.20000
H3C   2    0.007554    0.621490    0.095352    21.00000   -1.20000
AFIX   0
C9    1    0.104598    0.321522    0.149911    21.00000    0.03704    0.01467 =
         0.01855   -0.00050    0.01862    0.00307
AFIX 137
H9A   2    0.089996    0.290523    0.081181    21.00000   -1.20000
H9B   2    0.046717    0.368698    0.140706    21.00000   -1.20000
H9C   2    0.104318    0.274220    0.202469    21.00000   -1.20000
AFIX   0
C10   1    0.354556    0.297567    0.222665    21.00000    0.03590    0.01189 =
         0.01807    0.01230    0.01357    0.01571
AFIX 137
H10A  2    0.350861    0.247447    0.270910    21.00000   -1.20000
H10B  2    0.425170    0.331591    0.255968    21.00000   -1.20000
H10C  2    0.349548    0.269605    0.154936    21.00000   -1.20000
PART 2  -21
AFIX   0
SI1'  4    0.172033    0.633283    0.204854   -21.00000    0.02459    0.00408 =
         0.01776    0.00313    0.01148    0.00290
C1'   1    0.245880    0.402552    0.201355   -21.00000    0.02459    0.00408 =
         0.01776    0.00313    0.01148    0.00290
C9'   1    0.233133    0.748914    0.238940   -21.00000    0.03704    0.01467 =
         0.01855   -0.00050    0.01862    0.00307
AFIX 137
H9'1  2    0.306412    0.749087    0.235227   -21.00000   -1.20000
H9'2  2    0.241244    0.765171    0.311756   -21.00000   -1.20000
H9'3  2    0.185010    0.795440    0.188397   -21.00000   -1.20000
AFIX   0
C10'  1    0.023336    0.626187    0.159601   -21.00000    0.03590    0.01189 =
         0.01807    0.01230    0.01357    0.01571
AFIX 137
H10D  2   -0.011529    0.659412    0.091102   -21.00000   -1.20000
H10E  2    0.000096    0.655524    0.212767   -21.00000   -1.20000
H10F  2    0.000359    0.559755    0.150257   -21.00000   -1.20000
AFIX   0
C2'   1    0.128244    0.368528    0.167637   -21.00000    0.02675    0.00578 =
         0.01958    0.00309    0.01068    0.00296
AFIX 137
H2'1  2    0.127186    0.299292    0.167554   -21.00000   -1.20000
H2'2  2    0.083452    0.391872    0.095478   -21.00000   -1.20000
H2'3  2    0.097319    0.392216    0.217874   -21.00000   -1.20000
AFIX   0
C3'   1    0.327753    0.322399    0.227511   -21.00000    0.02550    0.00663 =
         0.01917    0.00328    0.01006    0.00363
AFIX 137
H3'1  2    0.296352    0.266785    0.248342   -21.00000   -1.20000
H3'2  2    0.396889    0.340886    0.286789   -21.00000   -1.20000
H3'3  2    0.343385    0.307280    0.164452   -21.00000   -1.20000
PART 0
AFIX   0
C4    1    0.243673    0.552805    0.313206    11.00000    0.02822    0.00482 =
         0.02300   -0.00622    0.02174   -0.00318
C5    1    0.273576    0.455429    0.315953    11.00000    0.01411    0.00924 =
         0.01365    0.00349    0.00829   -0.00271
C6    1    0.352504    0.440325    0.425115    11.00000    0.02199    0.02924 =
         0.02225    0.00289    0.01540   -0.00136
AFIX  13
H6    2    0.395427    0.380737    0.452450    11.00000   -1.20000
AFIX   0
C7    1    0.367874    0.525245    0.484056    11.00000    0.01632    0.06081 =
         0.01871   -0.01106    0.01274   -0.01407
AFIX  13
H7    2    0.421525    0.535800    0.559601    11.00000   -1.20000
AFIX   0
C8    1    0.299880    0.592499    0.415397    11.00000    0.03302    0.01293 =
         0.04126   -0.00409    0.03057   -0.00754
AFIX  13
H8    2    0.295142    0.660186    0.434284    11.00000   -1.20000
AFIX   0
C11   1    0.237571    0.474548    0.104362    11.00000    0.02994    0.01470 =
         0.02412   -0.01044    0.01646   -0.00041
C12   1    0.212218    0.569157    0.111899    11.00000    0.02938    0.01897 =
         0.01627    0.01025    0.00542   -0.00140
C13   1    0.208853    0.622723    0.024712    11.00000    0.03028    0.04043 =
         0.03614    0.02305    0.00600    0.00175
AFIX  13
H13   2    0.185855    0.690408    0.010336    11.00000   -1.20000
AFIX   0
C14   1    0.236127    0.563589   -0.040989    11.00000    0.03350    0.06300 =
         0.02660    0.01969    0.00301   -0.02200
AFIX  13
H14   2    0.236032    0.581279   -0.112269    11.00000   -1.20000
AFIX   0
C15   1    0.253815    0.471259    0.003071    11.00000    0.02569    0.08662 =
         0.04192   -0.04621    0.02463   -0.02877
AFIX  13
H15   2    0.266610    0.413057   -0.032220    11.00000   -1.20000
AFIX   0
C16   1    0.031433    0.441036    0.342184    11.00000    0.03111    0.00493 =
         0.02270    0.00981    0.01492    0.00624
C17   1    0.197869    0.447938    0.575669    11.00000    0.02114    0.01508 =
         0.03633   -0.00307    0.01573   -0.00027
C18   1    0.456995    0.619405    0.259867    11.00000    0.03546    0.03258 =
         0.02204    0.00411    0.01334   -0.00903
C19   1    0.468294    0.653052    0.067321    11.00000    0.02995    0.04496 =
         0.01795   -0.00849    0.01039   -0.02370
C20   1    0.509389    0.479657    0.154967    11.00000    0.03677    0.05558 =
         0.03968   -0.02082    0.01570   -0.00348
HKLF 4
 
REM  n130729a in P2(1)/c
REM R1 =  0.0437 for   3733 Fo > 4sig(Fo)  and  0.0483 for all   4077 data
REM    292 parameters refined using     38 restraints
 
END  
     
WGHT      0.0000     31.3032 
REM Highest difference peak  2.411,  deepest hole -2.554,  1-sigma level  0.238
Q1    1   0.4395  0.5306  0.1378  11.00000  0.05    2.41
Q2    1   0.1110  0.4680  0.4272  11.00000  0.05    1.79
Q3    1   0.2575  0.4830  0.4290  11.00000  0.05    1.72
Q4    1   0.2221  0.4295  0.4864  11.00000  0.05    1.52
Q5    1   0.1603  0.6202  0.4741  11.00000  0.05    1.29
Q6    1   0.2979  0.5837  0.1206  11.00000  0.05    1.22
Q7    1   0.1423  0.4256  0.3606  11.00000  0.05    1.08
Q8    1   0.1860  0.3650  0.4160  11.00000  0.05    1.05
Q9    1   0.2782  0.4996 -0.0340  11.00000  0.05    1.03
Q10   1   0.2353  0.3179  0.4861  11.00000  0.05    1.00
Q11   1   0.2179  0.5125  0.4804  11.00000  0.05    0.97
Q12   1   0.4198  0.6056  0.1769  11.00000  0.05    0.96
Q13   1   0.3780  0.6727  0.1054  11.00000  0.05    0.94
Q14   1   0.3481  0.5232  0.0569  11.00000  0.05    0.93
Q15   1   0.2561  0.2984  0.4472  11.00000  0.05    0.90
Q16   1   0.3176  0.6217  0.0429  11.00000  0.05    0.88
Q17   1   0.1415  0.5166  0.3596  11.00000  0.05    0.87
Q18   1   0.0525  0.6619  0.3851  11.00000  0.05    0.85
Q19   1   0.2442  0.8171  0.0976  11.00000  0.05    0.83
Q20   1   0.3366  0.4660  0.5195  11.00000  0.05    0.82

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+30.4572P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4077
_refine_ls_number_parameters     292
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0437
_refine_ls_wR_factor_ref         0.0980
_refine_ls_wR_factor_gt          0.0960
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_restrained_S_all      1.168
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.18710(3) 0.47326(3) 0.42954(3) 0.01276(12) Uani 1 1 d . A .
Re2 Re 0.38855(4) 0.56687(3) 0.11831(3) 0.02163(14) Uani 1 1 d . A .
Br1 Br 0.08595(9) 0.61994(8) 0.46016(9) 0.0240(3) Uani 1 1 d . . .
Br2 Br 0.18310(10) 0.29000(8) 0.43447(9) 0.0272(3) Uani 1 1 d . . .
O1 O -0.0587(7) 0.4261(6) 0.2885(6) 0.0312(19) Uani 1 1 d . A .
O2 O 0.2124(7) 0.4337(6) 0.6625(6) 0.033(2) Uani 1 1 d . A .
O3 O 0.5105(9) 0.7064(8) 0.0312(7) 0.064(4) Uani 1 1 d . A .
O4 O 0.4959(7) 0.6482(7) 0.3447(6) 0.039(2) Uani 1 1 d . A .
O5 O 0.5819(9) 0.4265(8) 0.1802(8) 0.056(3) Uani 1 1 d . A .
Si1 Si 0.2397(3) 0.3793(2) 0.1970(3) 0.0145(7) Uani 0.819(7) 1 d PD A 1
C1 C 0.1714(8) 0.6080(7) 0.2025(7) 0.0145(7) Uani 0.819(7) 1 d PD A 1
C2 C 0.1903(10) 0.7133(7) 0.2221(10) 0.0169(14) Uani 0.819(7) 1 d PD A 1
H2A H 0.1468 0.7478 0.1562 0.020 Uiso 0.819(7) 1 calc PR A 1
H2B H 0.2695 0.7275 0.2435 0.020 Uiso 0.819(7) 1 calc PR A 1
H2C H 0.1668 0.7327 0.2792 0.020 Uiso 0.819(7) 1 calc PR A 1
C3 C 0.0471(8) 0.5869(8) 0.1621(10) 0.0167(14) Uani 0.819(7) 1 d PD A 1
H3A H 0.0192 0.6067 0.2161 0.020 Uiso 0.819(7) 1 calc PR A 1
H3B H 0.0347 0.5189 0.1490 0.020 Uiso 0.819(7) 1 calc PR A 1
H3C H 0.0076 0.6215 0.0954 0.020 Uiso 0.819(7) 1 calc PR A 1
C9 C 0.1046(7) 0.3215(9) 0.1499(10) 0.021(3) Uani 0.819(7) 1 d PD A 1
H9A H 0.0900 0.2905 0.0812 0.025 Uiso 0.819(7) 1 calc PR A 1
H9B H 0.0467 0.3687 0.1407 0.025 Uiso 0.819(7) 1 calc PR A 1
H9C H 0.1043 0.2742 0.2025 0.025 Uiso 0.819(7) 1 calc PR A 1
C10 C 0.3546(8) 0.2976(9) 0.2227(11) 0.021(3) Uani 0.819(7) 1 d PD A 1
H10A H 0.3509 0.2474 0.2709 0.025 Uiso 0.819(7) 1 calc PR A 1
H10B H 0.4252 0.3316 0.2560 0.025 Uiso 0.819(7) 1 calc PR A 1
H10C H 0.3495 0.2696 0.1549 0.025 Uiso 0.819(7) 1 calc PR A 1
Si1' Si 0.1720(12) 0.6333(9) 0.2049(8) 0.0145(7) Uani 0.181(7) 1 d PD A 2
C1' C 0.246(4) 0.4026(12) 0.2014(13) 0.0145(7) Uani 0.181(7) 1 d PDU A 2
C9' C 0.233(4) 0.749(2) 0.239(5) 0.021(3) Uani 0.181(7) 1 d PD A 2
H9'1 H 0.3064 0.7491 0.2352 0.025 Uiso 0.181(7) 1 calc PR A 2
H9'2 H 0.2412 0.7652 0.3118 0.025 Uiso 0.181(7) 1 calc PR A 2
H9'3 H 0.1850 0.7954 0.1884 0.025 Uiso 0.181(7) 1 calc PR A 2
C10' C 0.0233(16) 0.626(3) 0.160(5) 0.021(3) Uani 0.181(7) 1 d PD A 2
H10D H -0.0115 0.6594 0.0911 0.025 Uiso 0.181(7) 1 calc PR A 2
H10E H 0.0001 0.6555 0.2128 0.025 Uiso 0.181(7) 1 calc PR A 2
H10F H 0.0004 0.5598 0.1503 0.025 Uiso 0.181(7) 1 calc PR A 2
C2' C 0.128(4) 0.369(4) 0.168(5) 0.0169(14) Uani 0.181(7) 1 d PDU A 2
H2'1 H 0.1272 0.2993 0.1676 0.020 Uiso 0.181(7) 1 calc PR A 2
H2'2 H 0.0835 0.3919 0.0955 0.020 Uiso 0.181(7) 1 calc PR A 2
H2'3 H 0.0973 0.3922 0.2179 0.020 Uiso 0.181(7) 1 calc PR A 2
C3' C 0.328(4) 0.322(3) 0.228(6) 0.0167(14) Uani 0.181(7) 1 d PDU A 2
H3'1 H 0.2964 0.2668 0.2483 0.020 Uiso 0.181(7) 1 calc PR A 2
H3'2 H 0.3969 0.3409 0.2868 0.020 Uiso 0.181(7) 1 calc PR A 2
H3'3 H 0.3434 0.3073 0.1645 0.020 Uiso 0.181(7) 1 calc PR A 2
C4 C 0.2437(8) 0.5528(6) 0.3132(7) 0.015(2) Uani 1 1 d D . .
C5 C 0.2736(8) 0.4554(6) 0.3160(6) 0.011(2) Uani 1 1 d DU A .
C6 C 0.3525(9) 0.4403(9) 0.4251(8) 0.022(2) Uani 1 1 d . . .
H6 H 0.3954 0.3807 0.4525 0.027 Uiso 1 1 calc R A .
C7 C 0.3679(9) 0.5252(10) 0.4841(9) 0.030(3) Uani 1 1 d . A .
H7 H 0.4215 0.5358 0.5596 0.036 Uiso 1 1 calc R . .
C8 C 0.2999(9) 0.5925(8) 0.4154(9) 0.024(3) Uani 1 1 d . A .
H8 H 0.2951 0.6602 0.4343 0.029 Uiso 1 1 calc R . .
C11 C 0.2376(9) 0.4745(6) 0.1044(8) 0.021(2) Uani 1 1 d D . .
C12 C 0.2122(9) 0.5692(7) 0.1119(7) 0.023(2) Uani 1 1 d D A .
C13 C 0.2089(10) 0.6227(10) 0.0247(10) 0.038(3) Uani 1 1 d . . .
H13 H 0.1859 0.6904 0.0103 0.045 Uiso 1 1 calc R A .
C14 C 0.2361(11) 0.5636(11) -0.0410(10) 0.044(4) Uani 1 1 d . A .
H14 H 0.2360 0.5813 -0.1123 0.053 Uiso 1 1 calc R . .
C15 C 0.2538(10) 0.4713(12) 0.0031(11) 0.048(4) Uani 1 1 d . A .
H15 H 0.2666 0.4131 -0.0322 0.057 Uiso 1 1 calc R . .
C16 C 0.0314(10) 0.4410(7) 0.3422(9) 0.018(2) Uani 1 1 d . . .
C17 C 0.1979(9) 0.4479(8) 0.5757(10) 0.023(2) Uani 1 1 d . . .
C18 C 0.4570(10) 0.6194(9) 0.2599(9) 0.029(3) Uani 1 1 d . . .
C19 C 0.4683(10) 0.6531(10) 0.0673(9) 0.031(3) Uani 1 1 d . . .
C20 C 0.5094(12) 0.4797(11) 0.1550(11) 0.044(4) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C16 1.964(12) . ?
Re1 C17 1.967(12) . ?
Re1 C6 2.238(10) . ?
Re1 C5 2.260(8) . ?
Re1 C4 2.289(8) . ?
Re1 C8 2.299(10) . ?
Re1 C7 2.303(10) . ?
Re1 Br1 2.5826(11) . ?
Re1 Br2 2.5956(12) . ?
Re2 C19 1.905(11) . ?
Re2 C20 1.911(16) . ?
Re2 C18 1.922(12) . ?
Re2 C12 2.275(10) . ?
Re2 C15 2.283(12) . ?
Re2 C14 2.293(13) . ?
Re2 C11 2.313(10) . ?
Re2 C13 2.326(12) . ?
O1 C16 1.136(13) . ?
O2 C17 1.136(13) . ?
O3 C19 1.153(14) . ?
O4 C18 1.136(14) . ?
O5 C20 1.152(17) . ?
Si1 C10 1.818(8) . ?
Si1 C9 1.820(8) . ?
Si1 C11 1.837(8) . ?
Si1 C5 1.845(7) . ?
C1 C2 1.517(9) . ?
C1 C3 1.527(9) . ?
C1 C12 1.620(9) . ?
C1 C4 1.626(9) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
Si1' C12 1.795(9) . ?
Si1' C10' 1.797(10) . ?
Si1' C9' 1.800(10) . ?
Si1' C4 1.804(9) . ?
C1' C2' 1.502(10) . ?
C1' C3' 1.504(10) . ?
C1' C5 1.634(10) . ?
C1' C11 1.635(10) . ?
C9' H9'1 0.9800 . ?
C9' H9'2 0.9800 . ?
C9' H9'3 0.9800 . ?
C10' H10D 0.9800 . ?
C10' H10E 0.9800 . ?
C10' H10F 0.9800 . ?
C2' H2'1 0.9800 . ?
C2' H2'2 0.9800 . ?
C2' H2'3 0.9800 . ?
C3' H3'1 0.9800 . ?
C3' H3'2 0.9800 . ?
C3' H3'3 0.9800 . ?
C4 C8 1.407(15) . ?
C4 C5 1.429(12) . ?
C5 C6 1.450(14) . ?
C6 C7 1.414(17) . ?
C6 H6 1.0000 . ?
C7 C8 1.383(17) . ?
C7 H7 1.0000 . ?
C8 H8 1.0000 . ?
C11 C12 1.393(13) . ?
C11 C15 1.474(14) . ?
C12 C13 1.393(15) . ?
C13 C14 1.37(2) . ?
C13 H13 1.0000 . ?
C14 C15 1.42(2) . ?
C14 H14 1.0000 . ?
C15 H15 1.0000 . ?

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
C16 Re1 C17 102.2(4) . . ?
C16 Re1 C6 136.0(4) . . ?
C17 Re1 C6 107.7(4) . . ?
C16 Re1 C5 103.9(4) . . ?
C17 Re1 C5 144.4(4) . . ?
C6 Re1 C5 37.6(4) . . ?
C16 Re1 C4 103.8(4) . . ?
C17 Re1 C4 150.8(4) . . ?
C6 Re1 C4 60.3(4) . . ?
C5 Re1 C4 36.6(3) . . ?
C16 Re1 C8 131.8(4) . . ?
C17 Re1 C8 115.2(4) . . ?
C6 Re1 C8 59.4(4) . . ?
C5 Re1 C8 60.9(3) . . ?
C4 Re1 C8 35.7(4) . . ?
C16 Re1 C7 163.2(4) . . ?
C17 Re1 C7 94.5(4) . . ?
C6 Re1 C7 36.2(4) . . ?
C5 Re1 C7 61.8(3) . . ?
C4 Re1 C7 59.6(4) . . ?
C8 Re1 C7 35.0(4) . . ?
C16 Re1 Br1 79.0(3) . . ?
C17 Re1 Br1 79.7(3) . . ?
C6 Re1 Br1 137.3(3) . . ?
C5 Re1 Br1 128.8(2) . . ?
C4 Re1 Br1 92.4(2) . . ?
C8 Re1 Br1 79.1(3) . . ?
C7 Re1 Br1 102.6(3) . . ?
C16 Re1 Br2 75.9(3) . . ?
C17 Re1 Br2 77.6(3) . . ?
C6 Re1 Br2 79.8(3) . . ?
C5 Re1 Br2 85.8(2) . . ?
C4 Re1 Br2 121.6(2) . . ?
C8 Re1 Br2 139.1(3) . . ?
C7 Re1 Br2 109.9(3) . . ?
Br1 Re1 Br2 141.47(4) . . ?
C19 Re2 C20 89.6(6) . . ?
C19 Re2 C18 90.6(5) . . ?
C20 Re2 C18 88.8(6) . . ?
C19 Re2 C12 132.1(5) . . ?
C20 Re2 C12 137.9(5) . . ?
C18 Re2 C12 95.6(4) . . ?
C19 Re2 C15 121.0(5) . . ?
C20 Re2 C15 97.6(6) . . ?
C18 Re2 C15 147.6(5) . . ?
C12 Re2 C15 59.0(4) . . ?
C19 Re2 C14 93.8(5) . . ?
C20 Re2 C14 123.7(6) . . ?
C18 Re2 C14 147.2(6) . . ?
C12 Re2 C14 58.2(4) . . ?
C15 Re2 C14 36.1(5) . . ?
C19 Re2 C11 154.8(4) . . ?
C20 Re2 C11 104.4(5) . . ?
C18 Re2 C11 110.2(4) . . ?
C12 Re2 C11 35.3(4) . . ?
C15 Re2 C11 37.4(4) . . ?
C14 Re2 C11 61.0(4) . . ?
C19 Re2 C13 99.5(5) . . ?
C20 Re2 C13 156.4(6) . . ?
C18 Re2 C13 112.8(5) . . ?
C12 Re2 C13 35.2(4) . . ?
C15 Re2 C13 59.1(6) . . ?
C14 Re2 C13 34.5(5) . . ?
C11 Re2 C13 60.1(4) . . ?
C10 Si1 C9 113.4(5) . . ?
C10 Si1 C11 112.7(6) . . ?
C9 Si1 C11 109.8(6) . . ?
C10 Si1 C5 108.0(5) . . ?
C9 Si1 C5 115.8(5) . . ?
C11 Si1 C5 96.0(5) . . ?
C2 C1 C3 109.4(7) . . ?
C2 C1 C12 112.7(8) . . ?
C3 C1 C12 106.5(8) . . ?
C2 C1 C4 108.3(8) . . ?
C3 C1 C4 112.8(8) . . ?
C12 C1 C4 107.1(7) . . ?
C12 Si1' C10' 108(2) . . ?
C12 Si1' C9' 114.7(19) . . ?
C10' Si1' C9' 116.7(9) . . ?
C12 Si1' C4 93.0(6) . . ?
C10' Si1' C4 112.8(19) . . ?
C9' Si1' C4 109(2) . . ?
C2' C1' C3' 112.3(11) . . ?
C2' C1' C5 105(3) . . ?
C3' C1' C5 105(3) . . ?
C2' C1' C11 103(3) . . ?
C3' C1' C11 118(4) . . ?
C5 C1' C11 113.7(10) . . ?
Si1' C9' H9'1 109.5 . . ?
Si1' C9' H9'2 109.5 . . ?
H9'1 C9' H9'2 109.5 . . ?
Si1' C9' H9'3 109.5 . . ?
H9'1 C9' H9'3 109.5 . . ?
H9'2 C9' H9'3 109.5 . . ?
Si1' C10' H10D 109.5 . . ?
Si1' C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
Si1' C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
C1' C2' H2'1 109.5 . . ?
C1' C2' H2'2 109.5 . . ?
H2'1 C2' H2'2 109.5 . . ?
C1' C2' H2'3 109.5 . . ?
H2'1 C2' H2'3 109.5 . . ?
H2'2 C2' H2'3 109.5 . . ?
C1' C3' H3'1 109.5 . . ?
C1' C3' H3'2 109.5 . . ?
H3'1 C3' H3'2 109.5 . . ?
C1' C3' H3'3 109.5 . . ?
H3'1 C3' H3'3 109.5 . . ?
H3'2 C3' H3'3 109.5 . . ?
C8 C4 C5 109.2(8) . . ?
C8 C4 C1 127.4(8) . . ?
C5 C4 C1 122.7(8) . . ?
C8 C4 Si1' 117.0(8) . . ?
C5 C4 Si1' 132.8(8) . . ?
C1 C4 Si1' 10.4(6) . . ?
C8 C4 Re1 72.6(5) . . ?
C5 C4 Re1 70.6(5) . . ?
C1 C4 Re1 130.3(6) . . ?
Si1' C4 Re1 132.0(7) . . ?
C4 C5 C6 104.2(8) . . ?
C4 C5 C1' 117.5(12) . . ?
C6 C5 C1' 135.0(16) . . ?
C4 C5 Si1 124.9(7) . . ?
C6 C5 Si1 129.6(8) . . ?
C1' C5 Si1 8.7(5) . . ?
C4 C5 Re1 72.8(5) . . ?
C6 C5 Re1 70.4(5) . . ?
C1' C5 Re1 136.0(17) . . ?
Si1 C5 Re1 130.7(5) . . ?
C7 C6 C5 109.8(10) . . ?
C7 C6 Re1 74.4(6) . . ?
C5 C6 Re1 72.0(5) . . ?
C7 C6 H6 125.0 . . ?
C5 C6 H6 125.0 . . ?
Re1 C6 H6 125.0 . . ?
C8 C7 C6 107.0(10) . . ?
C8 C7 Re1 72.4(6) . . ?
C6 C7 Re1 69.4(6) . . ?
C8 C7 H7 126.4 . . ?
C6 C7 H7 126.4 . . ?
Re1 C7 H7 126.4 . . ?
C7 C8 C4 109.7(10) . . ?
C7 C8 Re1 72.6(6) . . ?
C4 C8 Re1 71.7(6) . . ?
C7 C8 H8 125.1 . . ?
C4 C8 H8 125.1 . . ?
Re1 C8 H8 125.1 . . ?
C12 C11 C15 103.0(9) . . ?
C12 C11 C1' 118.8(12) . . ?
C15 C11 C1' 138.1(13) . . ?
C12 C11 Si1 126.5(7) . . ?
C15 C11 Si1 130.4(9) . . ?
C1' C11 Si1 9.0(5) . . ?
C12 C11 Re2 70.8(6) . . ?
C15 C11 Re2 70.2(6) . . ?
C1' C11 Re2 120.2(17) . . ?
Si1 C11 Re2 125.2(6) . . ?
C13 C12 C11 112.9(9) . . ?
C13 C12 C1 123.6(10) . . ?
C11 C12 C1 122.8(8) . . ?
C13 C12 Si1' 113.8(9) . . ?
C11 C12 Si1' 133.0(8) . . ?
C1 C12 Si1' 10.6(6) . . ?
C13 C12 Re2 74.4(7) . . ?
C11 C12 Re2 73.8(6) . . ?
C1 C12 Re2 127.6(7) . . ?
Si1' C12 Re2 123.7(7) . . ?
C14 C13 C12 107.0(12) . . ?
C14 C13 Re2 71.4(8) . . ?
C12 C13 Re2 70.4(7) . . ?
C14 C13 H13 126.4 . . ?
C12 C13 H13 126.4 . . ?
Re2 C13 H13 126.4 . . ?
C13 C14 C15 109.2(11) . . ?
C13 C14 Re2 74.1(8) . . ?
C15 C14 Re2 71.6(7) . . ?
C13 C14 H14 125.3 . . ?
C15 C14 H14 125.3 . . ?
Re2 C14 H14 125.3 . . ?
C14 C15 C11 107.8(12) . . ?
C14 C15 Re2 72.3(8) . . ?
C11 C15 Re2 72.4(6) . . ?
C14 C15 H15 125.9 . . ?
C11 C15 H15 125.9 . . ?
Re2 C15 H15 125.9 . . ?
O1 C16 Re1 176.6(9) . . ?
O2 C17 Re1 174.9(10) . . ?
O4 C18 Re2 177.8(10) . . ?
O3 C19 Re2 175.8(11) . . ?
O5 C20 Re2 177.7(13) . . ?

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
C2 C1 C4 C8 10.0(13) . . . . ?
C3 C1 C4 C8 -111.3(11) . . . . ?
C12 C1 C4 C8 131.9(10) . . . . ?
C2 C1 C4 C5 -159.7(9) . . . . ?
C3 C1 C4 C5 79.1(11) . . . . ?
C12 C1 C4 C5 -37.8(12) . . . . ?
C2 C1 C4 Si1' 5(3) . . . . ?
C3 C1 C4 Si1' -116(4) . . . . ?
C12 C1 C4 Si1' 127(4) . . . . ?
C2 C1 C4 Re1 108.8(9) . . . . ?
C3 C1 C4 Re1 -12.4(11) . . . . ?
C12 C1 C4 Re1 -129.3(8) . . . . ?
C12 Si1' C4 C8 140.7(9) . . . . ?
C10' Si1' C4 C8 -108(2) . . . . ?
C9' Si1' C4 C8 23(2) . . . . ?
C12 Si1' C4 C5 -26.1(14) . . . . ?
C10' Si1' C4 C5 85(2) . . . . ?
C9' Si1' C4 C5 -143.5(19) . . . . ?
C12 Si1' C4 C1 -44(3) . . . . ?
C10' Si1' C4 C1 67(4) . . . . ?
C9' Si1' C4 C1 -161(4) . . . . ?
C12 Si1' C4 Re1 -128.9(8) . . . . ?
C10' Si1' C4 Re1 -18(2) . . . . ?
C9' Si1' C4 Re1 113.6(19) . . . . ?
C16 Re1 C4 C8 146.7(6) . . . . ?
C17 Re1 C4 C8 -5.6(11) . . . . ?
C6 Re1 C4 C8 -77.9(7) . . . . ?
C5 Re1 C4 C8 -118.4(8) . . . . ?
C7 Re1 C4 C8 -35.8(6) . . . . ?
Br1 Re1 C4 C8 67.4(6) . . . . ?
Br2 Re1 C4 C8 -131.6(6) . . . . ?
C16 Re1 C4 C5 -94.9(6) . . . . ?
C17 Re1 C4 C5 112.8(9) . . . . ?
C6 Re1 C4 C5 40.5(5) . . . . ?
C8 Re1 C4 C5 118.4(8) . . . . ?
C7 Re1 C4 C5 82.6(6) . . . . ?
Br1 Re1 C4 C5 -174.2(5) . . . . ?
Br2 Re1 C4 C5 -13.2(6) . . . . ?
C16 Re1 C4 C1 22.0(9) . . . . ?
C17 Re1 C4 C1 -130.3(9) . . . . ?
C6 Re1 C4 C1 157.4(9) . . . . ?
C5 Re1 C4 C1 116.9(10) . . . . ?
C8 Re1 C4 C1 -124.7(11) . . . . ?
C7 Re1 C4 C1 -160.5(10) . . . . ?
Br1 Re1 C4 C1 -57.3(8) . . . . ?
Br2 Re1 C4 C1 103.8(7) . . . . ?
C16 Re1 C4 Si1' 35.7(9) . . . . ?
C17 Re1 C4 Si1' -116.6(10) . . . . ?
C6 Re1 C4 Si1' 171.1(10) . . . . ?
C5 Re1 C4 Si1' 130.6(11) . . . . ?
C8 Re1 C4 Si1' -111.0(11) . . . . ?
C7 Re1 C4 Si1' -146.8(10) . . . . ?
Br1 Re1 C4 Si1' -43.6(8) . . . . ?
Br2 Re1 C4 Si1' 117.5(8) . . . . ?
C8 C4 C5 C6 -1.2(10) . . . . ?
C1 C4 C5 C6 170.1(8) . . . . ?
Si1' C4 C5 C6 166.4(10) . . . . ?
Re1 C4 C5 C6 -63.8(6) . . . . ?
C8 C4 C5 C1' -164(2) . . . . ?
C1 C4 C5 C1' 7(2) . . . . ?
Si1' C4 C5 C1' 4(2) . . . . ?
Re1 C4 C5 C1' 133(2) . . . . ?
C8 C4 C5 Si1 -169.3(7) . . . . ?
C1 C4 C5 Si1 2.0(13) . . . . ?
Si1' C4 C5 Si1 -1.8(15) . . . . ?
Re1 C4 C5 Si1 128.0(7) . . . . ?
C8 C4 C5 Re1 62.7(7) . . . . ?
C1 C4 C5 Re1 -126.0(8) . . . . ?
Si1' C4 C5 Re1 -129.8(11) . . . . ?
C2' C1' C5 C4 -87(2) . . . . ?
C3' C1' C5 C4 155(2) . . . . ?
C11 C1' C5 C4 25(4) . . . . ?
C2' C1' C5 C6 118(3) . . . . ?
C3' C1' C5 C6 -1(4) . . . . ?
C11 C1' C5 C6 -131(2) . . . . ?
C2' C1' C5 Si1 63(12) . . . . ?
C3' C1' C5 Si1 -56(11) . . . . ?
C11 C1' C5 Si1 174(15) . . . . ?
C2' C1' C5 Re1 7(3) . . . . ?
C3' C1' C5 Re1 -111(3) . . . . ?
C11 C1' C5 Re1 118(2) . . . . ?
C10 Si1 C5 C4 145.0(8) . . . . ?
C9 Si1 C5 C4 -86.7(9) . . . . ?
C11 Si1 C5 C4 28.7(9) . . . . ?
C10 Si1 C5 C6 -20.1(10) . . . . ?
C9 Si1 C5 C6 108.2(10) . . . . ?
C11 Si1 C5 C6 -136.3(9) . . . . ?
C10 Si1 C5 C1' 111(13) . . . . ?
C9 Si1 C5 C1' -120(13) . . . . ?
C11 Si1 C5 C1' -5(13) . . . . ?
C10 Si1 C5 Re1 -117.9(7) . . . . ?
C9 Si1 C5 Re1 10.4(9) . . . . ?
C11 Si1 C5 Re1 125.8(7) . . . . ?
C16 Re1 C5 C4 94.4(6) . . . . ?
C17 Re1 C5 C4 -129.4(7) . . . . ?
C6 Re1 C5 C4 -112.6(8) . . . . ?
C8 Re1 C5 C4 -36.0(6) . . . . ?
C7 Re1 C5 C4 -76.0(6) . . . . ?
Br1 Re1 C5 C4 7.5(6) . . . . ?
Br2 Re1 C5 C4 168.8(5) . . . . ?
C16 Re1 C5 C6 -153.0(6) . . . . ?
C17 Re1 C5 C6 -16.8(10) . . . . ?
C4 Re1 C5 C6 112.6(8) . . . . ?
C8 Re1 C5 C6 76.6(7) . . . . ?
C7 Re1 C5 C6 36.5(7) . . . . ?
Br1 Re1 C5 C6 120.0(6) . . . . ?
Br2 Re1 C5 C6 -78.7(6) . . . . ?
C16 Re1 C5 C1' -17.6(17) . . . . ?
C17 Re1 C5 C1' 118.6(17) . . . . ?
C6 Re1 C5 C1' 135.4(18) . . . . ?
C4 Re1 C5 C1' -112.0(18) . . . . ?
C8 Re1 C5 C1' -148.0(17) . . . . ?
C7 Re1 C5 C1' 172.0(17) . . . . ?
Br1 Re1 C5 C1' -104.5(16) . . . . ?
Br2 Re1 C5 C1' 56.8(16) . . . . ?
C16 Re1 C5 Si1 -27.1(7) . . . . ?
C17 Re1 C5 Si1 109.1(8) . . . . ?
C6 Re1 C5 Si1 125.9(10) . . . . ?
C4 Re1 C5 Si1 -121.5(9) . . . . ?
C8 Re1 C5 Si1 -157.5(8) . . . . ?
C7 Re1 C5 Si1 162.5(8) . . . . ?
Br1 Re1 C5 Si1 -114.1(6) . . . . ?
Br2 Re1 C5 Si1 47.3(6) . . . . ?
C4 C5 C6 C7 0.2(11) . . . . ?
C1' C5 C6 C7 158(2) . . . . ?
Si1 C5 C6 C7 167.6(7) . . . . ?
Re1 C5 C6 C7 -65.3(7) . . . . ?
C4 C5 C6 Re1 65.5(6) . . . . ?
C1' C5 C6 Re1 -136(2) . . . . ?
Si1 C5 C6 Re1 -127.1(8) . . . . ?
C16 Re1 C6 C7 156.7(7) . . . . ?
C17 Re1 C6 C7 -72.7(8) . . . . ?
C5 Re1 C6 C7 117.4(10) . . . . ?
C4 Re1 C6 C7 78.1(7) . . . . ?
C8 Re1 C6 C7 36.5(7) . . . . ?
Br1 Re1 C6 C7 21.2(9) . . . . ?
Br2 Re1 C6 C7 -146.1(7) . . . . ?
C16 Re1 C6 C5 39.3(9) . . . . ?
C17 Re1 C6 C5 169.8(6) . . . . ?
C4 Re1 C6 C5 -39.4(5) . . . . ?
C8 Re1 C6 C5 -80.9(6) . . . . ?
C7 Re1 C6 C5 -117.4(10) . . . . ?
Br1 Re1 C6 C5 -96.2(6) . . . . ?
Br2 Re1 C6 C5 96.5(6) . . . . ?
C5 C6 C7 C8 0.8(11) . . . . ?
Re1 C6 C7 C8 -63.0(7) . . . . ?
C5 C6 C7 Re1 63.8(7) . . . . ?
C16 Re1 C7 C8 44.8(18) . . . . ?
C17 Re1 C7 C8 -129.2(7) . . . . ?
C6 Re1 C7 C8 116.6(9) . . . . ?
C5 Re1 C7 C8 78.7(6) . . . . ?
C4 Re1 C7 C8 36.5(6) . . . . ?
Br1 Re1 C7 C8 -48.8(6) . . . . ?
Br2 Re1 C7 C8 152.3(6) . . . . ?
C16 Re1 C7 C6 -71.9(18) . . . . ?
C17 Re1 C7 C6 114.2(7) . . . . ?
C5 Re1 C7 C6 -37.9(6) . . . . ?
C4 Re1 C7 C6 -80.1(7) . . . . ?
C8 Re1 C7 C6 -116.6(9) . . . . ?
Br1 Re1 C7 C6 -165.4(6) . . . . ?
Br2 Re1 C7 C6 35.7(7) . . . . ?
C6 C7 C8 C4 -1.5(11) . . . . ?
Re1 C7 C8 C4 -62.6(7) . . . . ?
C6 C7 C8 Re1 61.1(7) . . . . ?
C5 C4 C8 C7 1.7(11) . . . . ?
C1 C4 C8 C7 -169.1(9) . . . . ?
Si1' C4 C8 C7 -168.1(9) . . . . ?
Re1 C4 C8 C7 63.1(7) . . . . ?
C5 C4 C8 Re1 -61.4(6) . . . . ?
C1 C4 C8 Re1 127.8(9) . . . . ?
Si1' C4 C8 Re1 128.8(8) . . . . ?
C16 Re1 C8 C7 -164.1(6) . . . . ?
C17 Re1 C8 C7 58.6(7) . . . . ?
C6 Re1 C8 C7 -37.9(6) . . . . ?
C5 Re1 C8 C7 -81.5(7) . . . . ?
C4 Re1 C8 C7 -118.4(9) . . . . ?
Br1 Re1 C8 C7 131.6(6) . . . . ?
Br2 Re1 C8 C7 -41.9(8) . . . . ?
C16 Re1 C8 C4 -45.8(8) . . . . ?
C17 Re1 C8 C4 177.0(6) . . . . ?
C6 Re1 C8 C4 80.5(6) . . . . ?
C5 Re1 C8 C4 36.9(5) . . . . ?
C7 Re1 C8 C4 118.4(9) . . . . ?
Br1 Re1 C8 C4 -110.0(6) . . . . ?
Br2 Re1 C8 C4 76.5(7) . . . . ?
C2' C1' C11 C12 89(2) . . . . ?
C3' C1' C11 C12 -147(3) . . . . ?
C5 C1' C11 C12 -24(4) . . . . ?
C2' C1' C11 C15 -94(4) . . . . ?
C3' C1' C11 C15 30(4) . . . . ?
C5 C1' C11 C15 153.2(16) . . . . ?
C2' C1' C11 Si1 -62(11) . . . . ?
C3' C1' C11 Si1 63(11) . . . . ?
C5 C1' C11 Si1 -174(15) . . . . ?
C2' C1' C11 Re2 172(2) . . . . ?
C3' C1' C11 Re2 -64(3) . . . . ?
C5 C1' C11 Re2 60(3) . . . . ?
C10 Si1 C11 C12 -140.3(11) . . . . ?
C9 Si1 C11 C12 92.3(11) . . . . ?
C5 Si1 C11 C12 -27.9(11) . . . . ?
C10 Si1 C11 C15 44.1(13) . . . . ?
C9 Si1 C11 C15 -83.3(12) . . . . ?
C5 Si1 C11 C15 156.5(11) . . . . ?
C10 Si1 C11 C1' -107(12) . . . . ?
C9 Si1 C11 C1' 125(12) . . . . ?
C5 Si1 C11 C1' 5(12) . . . . ?
C10 Si1 C11 Re2 -49.1(8) . . . . ?
C9 Si1 C11 Re2 -176.5(6) . . . . ?
C5 Si1 C11 Re2 63.3(6) . . . . ?
C19 Re2 C11 C12 -74.0(12) . . . . ?
C20 Re2 C11 C12 164.2(6) . . . . ?
C18 Re2 C11 C12 70.1(7) . . . . ?
C15 Re2 C11 C12 -112.3(10) . . . . ?
C14 Re2 C11 C12 -75.0(7) . . . . ?
C13 Re2 C11 C12 -35.1(6) . . . . ?
C19 Re2 C11 C15 38.3(14) . . . . ?
C20 Re2 C11 C15 -83.6(9) . . . . ?
C18 Re2 C11 C15 -177.6(9) . . . . ?
C12 Re2 C11 C15 112.3(10) . . . . ?
C14 Re2 C11 C15 37.3(9) . . . . ?
C13 Re2 C11 C15 77.1(9) . . . . ?
C19 Re2 C11 C1' 173.2(15) . . . . ?
C20 Re2 C11 C1' 51.4(14) . . . . ?
C18 Re2 C11 C1' -42.7(14) . . . . ?
C12 Re2 C11 C1' -112.8(15) . . . . ?
C15 Re2 C11 C1' 134.9(16) . . . . ?
C14 Re2 C11 C1' 172.2(15) . . . . ?
C13 Re2 C11 C1' -148.0(14) . . . . ?
C19 Re2 C11 Si1 164.4(10) . . . . ?
C20 Re2 C11 Si1 42.5(7) . . . . ?
C18 Re2 C11 Si1 -51.5(7) . . . . ?
C12 Re2 C11 Si1 -121.7(9) . . . . ?
C15 Re2 C11 Si1 126.1(11) . . . . ?
C14 Re2 C11 Si1 163.4(8) . . . . ?
C13 Re2 C11 Si1 -156.8(8) . . . . ?
C15 C11 C12 C13 1.4(13) . . . . ?
C1' C11 C12 C13 179(2) . . . . ?
Si1 C11 C12 C13 -175.1(9) . . . . ?
Re2 C11 C12 C13 64.8(9) . . . . ?
C15 C11 C12 C1 172.0(9) . . . . ?
C1' C11 C12 C1 -10(2) . . . . ?
Si1 C11 C12 C1 -4.5(16) . . . . ?
Re2 C11 C12 C1 -124.7(10) . . . . ?
C15 C11 C12 Si1' 175.3(12) . . . . ?
C1' C11 C12 Si1' -7(3) . . . . ?
Si1 C11 C12 Si1' -1.2(19) . . . . ?
Re2 C11 C12 Si1' -121.3(13) . . . . ?
C15 C11 C12 Re2 -63.3(7) . . . . ?
C1' C11 C12 Re2 115(2) . . . . ?
Si1 C11 C12 Re2 120.2(9) . . . . ?
C2 C1 C12 C13 -32.0(14) . . . . ?
C3 C1 C12 C13 88.0(12) . . . . ?
C4 C1 C12 C13 -151.1(11) . . . . ?
C2 C1 C12 C11 158.4(10) . . . . ?
C3 C1 C12 C11 -81.6(12) . . . . ?
C4 C1 C12 C11 39.3(13) . . . . ?
C2 C1 C12 Si1' -8(3) . . . . ?
C3 C1 C12 Si1' 112(4) . . . . ?
C4 C1 C12 Si1' -127(4) . . . . ?
C2 C1 C12 Re2 63.9(11) . . . . ?
C3 C1 C12 Re2 -176.1(7) . . . . ?
C4 C1 C12 Re2 -55.2(11) . . . . ?
C10' Si1' C12 C13 87(2) . . . . ?
C9' Si1' C12 C13 -45(2) . . . . ?
C4 Si1' C12 C13 -158.2(10) . . . . ?
C10' Si1' C12 C11 -87(2) . . . . ?
C9' Si1' C12 C11 141(2) . . . . ?
C4 Si1' C12 C11 27.9(16) . . . . ?
C10' Si1' C12 C1 -72(4) . . . . ?
C9' Si1' C12 C1 156(4) . . . . ?
C4 Si1' C12 C1 43(3) . . . . ?
C10' Si1' C12 Re2 173.2(19) . . . . ?
C9' Si1' C12 Re2 41(2) . . . . ?
C4 Si1' C12 Re2 -71.6(9) . . . . ?
C19 Re2 C12 C13 26.4(9) . . . . ?
C20 Re2 C12 C13 -143.3(9) . . . . ?
C18 Re2 C12 C13 122.3(8) . . . . ?
C15 Re2 C12 C13 -79.1(9) . . . . ?
C14 Re2 C12 C13 -36.6(8) . . . . ?
C11 Re2 C12 C13 -120.1(9) . . . . ?
C19 Re2 C12 C11 146.5(6) . . . . ?
C20 Re2 C12 C11 -23.2(9) . . . . ?
C18 Re2 C12 C11 -117.6(6) . . . . ?
C15 Re2 C12 C11 41.0(7) . . . . ?
C14 Re2 C12 C11 83.5(7) . . . . ?
C13 Re2 C12 C11 120.1(9) . . . . ?
C19 Re2 C12 C1 -94.2(9) . . . . ?
C20 Re2 C12 C1 96.1(10) . . . . ?
C18 Re2 C12 C1 1.7(9) . . . . ?
C15 Re2 C12 C1 160.2(11) . . . . ?
C14 Re2 C12 C1 -157.2(11) . . . . ?
C11 Re2 C12 C1 119.3(11) . . . . ?
C13 Re2 C12 C1 -120.6(12) . . . . ?
C19 Re2 C12 Si1' -82.1(9) . . . . ?
C20 Re2 C12 Si1' 108.2(9) . . . . ?
C18 Re2 C12 Si1' 13.8(8) . . . . ?
C15 Re2 C12 Si1' 172.3(10) . . . . ?
C14 Re2 C12 Si1' -145.1(10) . . . . ?
C11 Re2 C12 Si1' 131.4(10) . . . . ?
C13 Re2 C12 Si1' -108.5(11) . . . . ?
C11 C12 C13 C14 -2.0(15) . . . . ?
C1 C12 C13 C14 -172.5(10) . . . . ?
Si1' C12 C13 C14 -177.1(10) . . . . ?
Re2 C12 C13 C14 62.4(9) . . . . ?
C11 C12 C13 Re2 -64.4(9) . . . . ?
C1 C12 C13 Re2 125.1(10) . . . . ?
Si1' C12 C13 Re2 120.4(9) . . . . ?
C19 Re2 C13 C14 83.0(8) . . . . ?
C20 Re2 C13 C14 -28.3(17) . . . . ?
C18 Re2 C13 C14 177.6(8) . . . . ?
C12 Re2 C13 C14 -116.6(11) . . . . ?
C15 Re2 C13 C14 -37.7(7) . . . . ?
C11 Re2 C13 C14 -81.3(8) . . . . ?
C19 Re2 C13 C12 -160.4(7) . . . . ?
C20 Re2 C13 C12 88.4(15) . . . . ?
C18 Re2 C13 C12 -65.8(8) . . . . ?
C15 Re2 C13 C12 78.9(8) . . . . ?
C14 Re2 C13 C12 116.6(11) . . . . ?
C11 Re2 C13 C12 35.3(6) . . . . ?
C12 C13 C14 C15 1.7(15) . . . . ?
Re2 C13 C14 C15 63.4(9) . . . . ?
C12 C13 C14 Re2 -61.7(9) . . . . ?
C19 Re2 C14 C13 -101.1(8) . . . . ?
C20 Re2 C14 C13 166.8(8) . . . . ?
C18 Re2 C14 C13 -4.0(13) . . . . ?
C12 Re2 C14 C13 37.3(7) . . . . ?
C15 Re2 C14 C13 117.1(10) . . . . ?
C11 Re2 C14 C13 78.4(8) . . . . ?
C19 Re2 C14 C15 141.8(8) . . . . ?
C20 Re2 C14 C15 49.7(10) . . . . ?
C18 Re2 C14 C15 -121.1(10) . . . . ?
C12 Re2 C14 C15 -79.8(7) . . . . ?
C11 Re2 C14 C15 -38.7(6) . . . . ?
C13 Re2 C14 C15 -117.1(10) . . . . ?
C13 C14 C15 C11 -0.8(14) . . . . ?
Re2 C14 C15 C11 64.2(8) . . . . ?
C13 C14 C15 Re2 -65.0(9) . . . . ?
C12 C11 C15 C14 -0.4(13) . . . . ?
C1' C11 C15 C14 -178(3) . . . . ?
Si1 C11 C15 C14 176.0(9) . . . . ?
Re2 C11 C15 C14 -64.1(8) . . . . ?
C12 C11 C15 Re2 63.8(8) . . . . ?
C1' C11 C15 Re2 -114(3) . . . . ?
Si1 C11 C15 Re2 -119.9(10) . . . . ?
C19 Re2 C15 C14 -46.1(10) . . . . ?
C20 Re2 C15 C14 -140.2(9) . . . . ?
C18 Re2 C15 C14 120.1(11) . . . . ?
C12 Re2 C15 C14 77.3(9) . . . . ?
C11 Re2 C15 C14 115.9(11) . . . . ?
C13 Re2 C15 C14 36.0(8) . . . . ?
C19 Re2 C15 C11 -162.1(7) . . . . ?
C20 Re2 C15 C11 103.9(8) . . . . ?
C18 Re2 C15 C11 4.2(15) . . . . ?
C12 Re2 C15 C11 -38.6(6) . . . . ?
C14 Re2 C15 C11 -115.9(11) . . . . ?
C13 Re2 C15 C11 -79.9(7) . . . . ?
C17 Re1 C16 O1 142(16) . . . . ?
C6 Re1 C16 O1 -86(16) . . . . ?
C5 Re1 C16 O1 -62(16) . . . . ?
C4 Re1 C16 O1 -25(16) . . . . ?
C8 Re1 C16 O1 1(16) . . . . ?
C7 Re1 C16 O1 -32(17) . . . . ?
Br1 Re1 C16 O1 65(16) . . . . ?
Br2 Re1 C16 O1 -144(16) . . . . ?
C16 Re1 C17 O2 167(11) . . . . ?
C6 Re1 C17 O2 19(11) . . . . ?
C5 Re1 C17 O2 30(12) . . . . ?
C4 Re1 C17 O2 -41(12) . . . . ?
C8 Re1 C17 O2 -45(11) . . . . ?
C7 Re1 C17 O2 -15(11) . . . . ?
Br1 Re1 C17 O2 -117(11) . . . . ?
Br2 Re1 C17 O2 94(11) . . . . ?
C19 Re2 C18 O4 -174(32) . . . . ?
C20 Re2 C18 O4 -84(32) . . . . ?
C12 Re2 C18 O4 54(32) . . . . ?
C15 Re2 C18 O4 18(33) . . . . ?
C14 Re2 C18 O4 88(32) . . . . ?
C11 Re2 C18 O4 21(33) . . . . ?
C13 Re2 C18 O4 86(32) . . . . ?
C20 Re2 C19 O3 139(16) . . . . ?
C18 Re2 C19 O3 -133(16) . . . . ?
C12 Re2 C19 O3 -34(16) . . . . ?
C15 Re2 C19 O3 40(16) . . . . ?
C14 Re2 C19 O3 15(16) . . . . ?
C11 Re2 C19 O3 14(17) . . . . ?
C13 Re2 C19 O3 -19(16) . . . . ?
C19 Re2 C20 O5 136(33) . . . . ?
C18 Re2 C20 O5 46(33) . . . . ?
C12 Re2 C20 O5 -51(34) . . . . ?
C15 Re2 C20 O5 -102(33) . . . . ?
C14 Re2 C20 O5 -129(33) . . . . ?
C11 Re2 C20 O5 -65(33) . . . . ?
C13 Re2 C20 O5 -111(33) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         2.411
_refine_diff_density_min         -2.554
_refine_diff_density_rms         0.238
_database_code_depnum_ccdc_archive 'CCDC 1017445'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n130830c

_audit_creation_method           SHELXL-97
_chemical_name_systematic        8
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H18 Cl2 O5 Re2 Si2'
_chemical_formula_weight         825.81

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'
Si Si 0.0817 0.0704 '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'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.3579(10)
_cell_length_b                   14.0354(10)
_cell_length_c                   13.3278(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.9670(10)
_cell_angle_gamma                90.00
_cell_volume                     2300.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    6642
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      28.28

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536
_exptl_absorpt_coefficient_mu    10.878
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.2449
_exptl_absorpt_correction_T_max  0.2922
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13079
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4040
_reflns_number_gt                3649
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0161P)²+1.2380P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4040
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0188
_refine_ls_wR_factor_ref         0.0403
_refine_ls_wR_factor_gt          0.0387
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.194508(13) 0.527431(11) 0.446223(13) 0.01189(5) Uani 1 1 d . . .
Re2 Re 0.385327(13) 0.435547(12) 0.111244(13) 0.01355(5) Uani 1 1 d . . .
Si1 Si 0.16905(9) 0.37366(8) 0.20722(9) 0.0148(3) Uani 1 1 d . . .
Si2 Si 0.24366(9) 0.61925(8) 0.20620(9) 0.0125(2) Uani 1 1 d . . .
Cl1 Cl 0.19320(9) 0.70160(8) 0.45332(8) 0.0238(3) Uani 1 1 d . . .
Cl2 Cl 0.09787(9) 0.38519(8) 0.46583(9) 0.0231(2) Uani 1 1 d . . .
O1 O -0.0427(3) 0.5739(2) 0.2949(3) 0.0304(8) Uani 1 1 d . . .
O2 O 0.2021(3) 0.5640(2) 0.6788(3) 0.0341(8) Uani 1 1 d . . .
O3 O 0.5792(3) 0.5725(2) 0.1951(3) 0.0371(9) Uani 1 1 d . . .
O4 O 0.5100(3) 0.3015(3) 0.0194(2) 0.0408(10) Uani 1 1 d . . .
O5 O 0.4797(3) 0.3405(2) 0.3363(2) 0.0257(7) Uani 1 1 d . . .
C1 C 0.2808(3) 0.5432(3) 0.3322(3) 0.0116(9) Uani 1 1 d . . .
C2 C 0.2502(3) 0.4445(3) 0.3330(3) 0.0117(9) Uani 1 1 d . . .
C3 C 0.3093(3) 0.4090(3) 0.4419(3) 0.0149(9) Uani 1 1 d . . .
H3 H 0.3073 0.3419 0.4661 0.018 Uiso 1 1 calc R . .
C4 C 0.3762(3) 0.4818(3) 0.5067(3) 0.0166(9) Uani 1 1 d . . .
H4 H 0.4282 0.4758 0.5843 0.020 Uiso 1 1 calc R . .
C5 C 0.3577(3) 0.5645(3) 0.4412(3) 0.0159(9) Uani 1 1 d . . .
H5 H 0.3965 0.6266 0.4650 0.019 Uiso 1 1 calc R . .
C6 C 0.0199(3) 0.3875(3) 0.1618(4) 0.0241(11) Uani 1 1 d . . .
H6A H -0.0168 0.3475 0.0976 0.036 Uiso 1 1 calc R . .
H6B H 0.0001 0.4543 0.1431 0.036 Uiso 1 1 calc R . .
H6C H -0.0024 0.3680 0.2206 0.036 Uiso 1 1 calc R . .
C7 C 0.2104(4) 0.2473(3) 0.2339(4) 0.0280(11) Uani 1 1 d . . .
H7A H 0.1816 0.2205 0.2851 0.042 Uiso 1 1 calc R . .
H7B H 0.2899 0.2431 0.2653 0.042 Uiso 1 1 calc R . .
H7C H 0.1816 0.2115 0.1654 0.042 Uiso 1 1 calc R . .
C8 C 0.2101(3) 0.4294(3) 0.1013(3) 0.0138(9) Uani 1 1 d . . .
C9 C 0.2405(3) 0.5296(3) 0.1008(3) 0.0132(9) Uani 1 1 d . . .
C10 C 0.2604(3) 0.5439(3) 0.0034(3) 0.0149(9) Uani 1 1 d . . .
H10 H 0.2787 0.6064 -0.0212 0.018 Uiso 1 1 calc R . .
C11 C 0.2434(3) 0.4584(3) -0.0553(3) 0.0174(10) Uani 1 1 d . . .
H11 H 0.2467 0.4499 -0.1284 0.021 Uiso 1 1 calc R . .
C12 C 0.2113(3) 0.3874(3) 0.0039(3) 0.0164(9) Uani 1 1 d . . .
H12 H 0.1888 0.3207 -0.0212 0.020 Uiso 1 1 calc R . .
C13 C 0.3521(4) 0.7089(3) 0.2307(3) 0.0245(11) Uani 1 1 d . . .
H13A H 0.3479 0.7346 0.1608 0.037 Uiso 1 1 calc R . .
H13B H 0.4232 0.6789 0.2687 0.037 Uiso 1 1 calc R . .
H13C H 0.3426 0.7606 0.2755 0.037 Uiso 1 1 calc R . .
C14 C 0.1068(3) 0.6755(3) 0.1613(3) 0.0191(10) Uani 1 1 d . . .
H14A H 0.1025 0.7140 0.2208 0.029 Uiso 1 1 calc R . .
H14B H 0.0509 0.6257 0.1414 0.029 Uiso 1 1 calc R . .
H14C H 0.0949 0.7163 0.0980 0.029 Uiso 1 1 calc R . .
C15 C 0.0438(4) 0.5576(3) 0.3539(4) 0.0187(10) Uani 1 1 d . . .
C16 C 0.1949(4) 0.5502(3) 0.5920(4) 0.0205(10) Uani 1 1 d . . .
C17 C 0.5070(4) 0.5203(3) 0.1623(4) 0.0230(10) Uani 1 1 d . . .
C18 C 0.4653(4) 0.3515(3) 0.0561(3) 0.0232(11) Uani 1 1 d . . .
C19 C 0.4463(3) 0.3757(3) 0.2514(4) 0.0181(10) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C15 1.953(5) . ?
Re1 C16 1.967(5) . ?
Re1 C1 2.249(4) . ?
Re1 C2 2.250(4) . ?
Re1 C5 2.268(4) . ?
Re1 C3 2.277(4) . ?
Re1 C4 2.328(4) . ?
Re1 Cl2 2.4462(11) . ?
Re1 Cl1 2.4467(11) . ?
Re2 C17 1.912(5) . ?
Re2 C19 1.916(5) . ?
Re2 C18 1.920(5) . ?
Re2 C8 2.294(4) . ?
Re2 C10 2.301(4) . ?
Re2 C9 2.301(4) . ?
Re2 C12 2.305(4) . ?
Re2 C11 2.311(4) . ?
Si1 C7 1.850(4) . ?
Si1 C6 1.853(4) . ?
Si1 C8 1.873(4) . ?
Si1 C2 1.886(4) . ?
Si2 C13 1.848(4) . ?
Si2 C14 1.863(4) . ?
Si2 C9 1.874(4) . ?
Si2 C1 1.885(4) . ?
O1 C15 1.138(5) . ?
O2 C16 1.139(5) . ?
O3 C17 1.153(5) . ?
O4 C18 1.148(5) . ?
O5 C19 1.153(5) . ?
C1 C2 1.446(5) . ?
C1 C5 1.446(5) . ?
C2 C3 1.444(5) . ?
C3 C4 1.409(6) . ?
C3 H3 1.0000 . ?
C4 C5 1.415(6) . ?
C4 H4 1.0000 . ?
C5 H5 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C12 1.432(6) . ?
C8 C9 1.464(6) . ?
C9 C10 1.437(6) . ?
C10 C11 1.402(6) . ?
C10 H10 1.0000 . ?
C11 C12 1.437(6) . ?
C11 H11 1.0000 . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?

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
C15 Re1 C16 101.08(18) . . ?
C15 Re1 C1 103.11(16) . . ?
C16 Re1 C1 147.92(17) . . ?
C15 Re1 C2 102.64(16) . . ?
C16 Re1 C2 150.74(16) . . ?
C1 Re1 C2 37.49(14) . . ?
C15 Re1 C5 134.27(17) . . ?
C16 Re1 C5 111.09(17) . . ?
C1 Re1 C5 37.35(14) . . ?
C2 Re1 C5 61.67(14) . . ?
C15 Re1 C3 132.93(16) . . ?
C16 Re1 C3 113.65(16) . . ?
C1 Re1 C3 61.77(14) . . ?
C2 Re1 C3 37.19(14) . . ?
C5 Re1 C3 60.15(15) . . ?
C15 Re1 C4 163.06(16) . . ?
C16 Re1 C4 95.86(17) . . ?
C1 Re1 C4 61.39(14) . . ?
C2 Re1 C4 61.12(14) . . ?
C5 Re1 C4 35.83(14) . . ?
C3 Re1 C4 35.61(14) . . ?
C15 Re1 Cl2 77.71(13) . . ?
C16 Re1 Cl2 79.92(13) . . ?
C1 Re1 Cl2 125.72(10) . . ?
C2 Re1 Cl2 88.63(10) . . ?
C5 Re1 Cl2 138.08(11) . . ?
C3 Re1 Cl2 78.21(11) . . ?
C4 Re1 Cl2 105.12(11) . . ?
C15 Re1 Cl1 77.68(13) . . ?
C16 Re1 Cl1 78.29(13) . . ?
C1 Re1 Cl1 86.61(10) . . ?
C2 Re1 Cl1 123.49(10) . . ?
C5 Re1 Cl1 78.06(11) . . ?
C3 Re1 Cl1 138.17(11) . . ?
C4 Re1 Cl1 106.46(11) . . ?
Cl2 Re1 Cl1 143.06(4) . . ?
C17 Re2 C19 86.94(18) . . ?
C17 Re2 C18 89.8(2) . . ?
C19 Re2 C18 90.88(17) . . ?
C17 Re2 C8 138.64(17) . . ?
C19 Re2 C8 94.36(16) . . ?
C18 Re2 C8 131.47(17) . . ?
C17 Re2 C10 96.89(17) . . ?
C19 Re2 C10 145.86(16) . . ?
C18 Re2 C10 122.93(16) . . ?
C8 Re2 C10 60.89(15) . . ?
C17 Re2 C9 104.06(17) . . ?
C19 Re2 C9 109.76(16) . . ?
C18 Re2 C9 155.45(15) . . ?
C8 Re2 C9 37.17(14) . . ?
C10 Re2 C9 36.39(14) . . ?
C17 Re2 C12 156.17(16) . . ?
C19 Re2 C12 114.77(16) . . ?
C18 Re2 C12 99.15(17) . . ?
C8 Re2 C12 36.28(14) . . ?
C10 Re2 C12 59.73(15) . . ?
C9 Re2 C12 60.66(14) . . ?
C17 Re2 C11 121.35(17) . . ?
C19 Re2 C11 151.02(17) . . ?
C18 Re2 C11 95.06(16) . . ?
C8 Re2 C11 60.89(15) . . ?
C10 Re2 C11 35.40(14) . . ?
C9 Re2 C11 60.45(14) . . ?
C12 Re2 C11 36.27(15) . . ?
C7 Si1 C6 111.5(2) . . ?
C7 Si1 C8 113.1(2) . . ?
C6 Si1 C8 107.65(19) . . ?
C7 Si1 C2 108.04(19) . . ?
C6 Si1 C2 114.04(19) . . ?
C8 Si1 C2 102.34(17) . . ?
C13 Si2 C14 111.8(2) . . ?
C13 Si2 C9 112.1(2) . . ?
C14 Si2 C9 108.14(18) . . ?
C13 Si2 C1 108.19(19) . . ?
C14 Si2 C1 114.23(19) . . ?
C9 Si2 C1 102.03(17) . . ?
C2 C1 C5 106.4(3) . . ?
C2 C1 Si2 124.9(3) . . ?
C5 C1 Si2 127.9(3) . . ?
C2 C1 Re1 71.3(2) . . ?
C5 C1 Re1 72.0(2) . . ?
Si2 C1 Re1 129.2(2) . . ?
C3 C2 C1 107.1(3) . . ?
C3 C2 Si1 127.6(3) . . ?
C1 C2 Si1 124.4(3) . . ?
C3 C2 Re1 72.4(2) . . ?
C1 C2 Re1 71.2(2) . . ?
Si1 C2 Re1 130.0(2) . . ?
C4 C3 C2 109.4(4) . . ?
C4 C3 Re1 74.2(2) . . ?
C2 C3 Re1 70.4(2) . . ?
C4 C3 H3 125.2 . . ?
C2 C3 H3 125.2 . . ?
Re1 C3 H3 125.2 . . ?
C3 C4 C5 107.5(4) . . ?
C3 C4 Re1 70.2(2) . . ?
C5 C4 Re1 69.7(2) . . ?
C3 C4 H4 126.2 . . ?
C5 C4 H4 126.2 . . ?
Re1 C4 H4 126.2 . . ?
C4 C5 C1 109.6(4) . . ?
C4 C5 Re1 74.4(2) . . ?
C1 C5 Re1 70.6(2) . . ?
C4 C5 H5 125.1 . . ?
C1 C5 H5 125.1 . . ?
Re1 C5 H5 125.1 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C12 C8 C9 106.9(4) . . ?
C12 C8 Si1 128.4(3) . . ?
C9 C8 Si1 124.6(3) . . ?
C12 C8 Re2 72.3(2) . . ?
C9 C8 Re2 71.7(2) . . ?
Si1 C8 Re2 124.34(19) . . ?
C10 C9 C8 106.7(3) . . ?
C10 C9 Si2 128.7(3) . . ?
C8 C9 Si2 124.5(3) . . ?
C10 C9 Re2 71.8(2) . . ?
C8 C9 Re2 71.2(2) . . ?
Si2 C9 Re2 124.56(19) . . ?
C11 C10 C9 109.7(4) . . ?
C11 C10 Re2 72.7(2) . . ?
C9 C10 Re2 71.8(2) . . ?
C11 C10 H10 125.1 . . ?
C9 C10 H10 125.1 . . ?
Re2 C10 H10 125.1 . . ?
C10 C11 C12 107.8(4) . . ?
C10 C11 Re2 71.9(2) . . ?
C12 C11 Re2 71.7(2) . . ?
C10 C11 H11 126.0 . . ?
C12 C11 H11 126.0 . . ?
Re2 C11 H11 126.0 . . ?
C8 C12 C11 108.9(4) . . ?
C8 C12 Re2 71.5(2) . . ?
C11 C12 Re2 72.1(2) . . ?
C8 C12 H12 125.5 . . ?
C11 C12 H12 125.5 . . ?
Re2 C12 H12 125.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 Re1 176.0(4) . . ?
O2 C16 Re1 175.7(4) . . ?
O3 C17 Re2 178.0(4) . . ?
O4 C18 Re2 177.5(4) . . ?
O5 C19 Re2 177.6(4) . . ?

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
C13 Si2 C1 C2 -150.2(4) . . . . ?
C14 Si2 C1 C2 84.5(4) . . . . ?
C9 Si2 C1 C2 -31.9(4) . . . . ?
C13 Si2 C1 C5 18.6(4) . . . . ?
C14 Si2 C1 C5 -106.7(4) . . . . ?
C9 Si2 C1 C5 136.9(4) . . . . ?
C13 Si2 C1 Re1 116.1(3) . . . . ?
C14 Si2 C1 Re1 -9.2(3) . . . . ?
C9 Si2 C1 Re1 -125.6(2) . . . . ?
C15 Re1 C1 C2 -93.8(2) . . . . ?
C16 Re1 C1 C2 128.3(3) . . . . ?
C5 Re1 C1 C2 115.0(3) . . . . ?
C3 Re1 C1 C2 38.2(2) . . . . ?
C4 Re1 C1 C2 78.9(2) . . . . ?
Cl2 Re1 C1 C2 -9.6(3) . . . . ?
Cl1 Re1 C1 C2 -170.3(2) . . . . ?
C15 Re1 C1 C5 151.2(2) . . . . ?
C16 Re1 C1 C5 13.2(4) . . . . ?
C2 Re1 C1 C5 -115.0(3) . . . . ?
C3 Re1 C1 C5 -76.8(2) . . . . ?
C4 Re1 C1 C5 -36.1(2) . . . . ?
Cl2 Re1 C1 C5 -124.6(2) . . . . ?
Cl1 Re1 C1 C5 74.7(2) . . . . ?
C15 Re1 C1 Si2 26.5(3) . . . . ?
C16 Re1 C1 Si2 -111.5(3) . . . . ?
C2 Re1 C1 Si2 120.2(4) . . . . ?
C5 Re1 C1 Si2 -124.7(4) . . . . ?
C3 Re1 C1 Si2 158.4(3) . . . . ?
C4 Re1 C1 Si2 -160.9(3) . . . . ?
Cl2 Re1 C1 Si2 110.6(2) . . . . ?
Cl1 Re1 C1 Si2 -50.0(2) . . . . ?
C5 C1 C2 C3 -0.1(4) . . . . ?
Si2 C1 C2 C3 170.7(3) . . . . ?
Re1 C1 C2 C3 -64.0(3) . . . . ?
C5 C1 C2 Si1 -169.9(3) . . . . ?
Si2 C1 C2 Si1 0.9(5) . . . . ?
Re1 C1 C2 Si1 126.2(3) . . . . ?
C5 C1 C2 Re1 63.9(3) . . . . ?
Si2 C1 C2 Re1 -125.2(3) . . . . ?
C7 Si1 C2 C3 -17.4(4) . . . . ?
C6 Si1 C2 C3 107.1(4) . . . . ?
C8 Si1 C2 C3 -137.0(4) . . . . ?
C7 Si1 C2 C1 150.2(4) . . . . ?
C6 Si1 C2 C1 -85.3(4) . . . . ?
C8 Si1 C2 C1 30.7(4) . . . . ?
C7 Si1 C2 Re1 -116.0(3) . . . . ?
C6 Si1 C2 Re1 8.5(3) . . . . ?
C8 Si1 C2 Re1 124.4(2) . . . . ?
C15 Re1 C2 C3 -149.2(2) . . . . ?
C16 Re1 C2 C3 -5.8(4) . . . . ?
C1 Re1 C2 C3 115.6(3) . . . . ?
C5 Re1 C2 C3 77.0(2) . . . . ?
C4 Re1 C2 C3 36.0(2) . . . . ?
Cl2 Re1 C2 C3 -72.2(2) . . . . ?
Cl1 Re1 C2 C3 127.3(2) . . . . ?
C15 Re1 C2 C1 95.1(2) . . . . ?
C16 Re1 C2 C1 -121.4(3) . . . . ?
C5 Re1 C2 C1 -38.6(2) . . . . ?
C3 Re1 C2 C1 -115.6(3) . . . . ?
C4 Re1 C2 C1 -79.7(2) . . . . ?
Cl2 Re1 C2 C1 172.2(2) . . . . ?
Cl1 Re1 C2 C1 11.7(3) . . . . ?
C15 Re1 C2 Si1 -24.4(3) . . . . ?
C16 Re1 C2 Si1 119.0(3) . . . . ?
C1 Re1 C2 Si1 -119.6(4) . . . . ?
C5 Re1 C2 Si1 -158.2(3) . . . . ?
C3 Re1 C2 Si1 124.8(4) . . . . ?
C4 Re1 C2 Si1 160.8(3) . . . . ?
Cl2 Re1 C2 Si1 52.6(2) . . . . ?
Cl1 Re1 C2 Si1 -107.9(2) . . . . ?
C1 C2 C3 C4 -1.1(5) . . . . ?
Si1 C2 C3 C4 168.2(3) . . . . ?
Re1 C2 C3 C4 -64.4(3) . . . . ?
C1 C2 C3 Re1 63.2(3) . . . . ?
Si1 C2 C3 Re1 -127.4(3) . . . . ?
C15 Re1 C3 C4 160.9(3) . . . . ?
C16 Re1 C3 C4 -65.2(3) . . . . ?
C1 Re1 C3 C4 79.4(3) . . . . ?
C2 Re1 C3 C4 117.9(4) . . . . ?
C5 Re1 C3 C4 36.5(2) . . . . ?
Cl2 Re1 C3 C4 -138.5(2) . . . . ?
Cl1 Re1 C3 C4 33.9(3) . . . . ?
C15 Re1 C3 C2 43.0(3) . . . . ?
C16 Re1 C3 C2 176.9(2) . . . . ?
C1 Re1 C3 C2 -38.5(2) . . . . ?
C5 Re1 C3 C2 -81.4(2) . . . . ?
C4 Re1 C3 C2 -117.9(4) . . . . ?
Cl2 Re1 C3 C2 103.6(2) . . . . ?
Cl1 Re1 C3 C2 -84.1(2) . . . . ?
C2 C3 C4 C5 1.9(5) . . . . ?
Re1 C3 C4 C5 -60.0(3) . . . . ?
C2 C3 C4 Re1 62.0(3) . . . . ?
C15 Re1 C4 C3 -55.3(6) . . . . ?
C16 Re1 C4 C3 123.3(3) . . . . ?
C1 Re1 C4 C3 -80.6(3) . . . . ?
C2 Re1 C4 C3 -37.6(2) . . . . ?
C5 Re1 C4 C3 -118.3(4) . . . . ?
Cl2 Re1 C4 C3 42.2(2) . . . . ?
Cl1 Re1 C4 C3 -157.2(2) . . . . ?
C15 Re1 C4 C5 63.0(6) . . . . ?
C16 Re1 C4 C5 -118.4(3) . . . . ?
C1 Re1 C4 C5 37.7(2) . . . . ?
C2 Re1 C4 C5 80.7(3) . . . . ?
C3 Re1 C4 C5 118.3(4) . . . . ?
Cl2 Re1 C4 C5 160.5(2) . . . . ?
Cl1 Re1 C4 C5 -38.9(2) . . . . ?
C3 C4 C5 C1 -2.0(5) . . . . ?
Re1 C4 C5 C1 -62.3(3) . . . . ?
C3 C4 C5 Re1 60.3(3) . . . . ?
C2 C1 C5 C4 1.3(5) . . . . ?
Si2 C1 C5 C4 -169.2(3) . . . . ?
Re1 C1 C5 C4 64.7(3) . . . . ?
C2 C1 C5 Re1 -63.5(3) . . . . ?
Si2 C1 C5 Re1 126.1(3) . . . . ?
C15 Re1 C5 C4 -158.7(2) . . . . ?
C16 Re1 C5 C4 69.7(3) . . . . ?
C1 Re1 C5 C4 -117.8(3) . . . . ?
C2 Re1 C5 C4 -79.0(3) . . . . ?
C3 Re1 C5 C4 -36.2(2) . . . . ?
Cl2 Re1 C5 C4 -28.9(3) . . . . ?
Cl1 Re1 C5 C4 142.0(2) . . . . ?
C15 Re1 C5 C1 -40.9(3) . . . . ?
C16 Re1 C5 C1 -172.5(2) . . . . ?
C2 Re1 C5 C1 38.8(2) . . . . ?
C3 Re1 C5 C1 81.6(2) . . . . ?
C4 Re1 C5 C1 117.8(3) . . . . ?
Cl2 Re1 C5 C1 88.9(2) . . . . ?
Cl1 Re1 C5 C1 -100.2(2) . . . . ?
C7 Si1 C8 C12 37.4(4) . . . . ?
C6 Si1 C8 C12 -86.1(4) . . . . ?
C2 Si1 C8 C12 153.4(4) . . . . ?
C7 Si1 C8 C9 -147.1(3) . . . . ?
C6 Si1 C8 C9 89.3(4) . . . . ?
C2 Si1 C8 C9 -31.2(4) . . . . ?
C7 Si1 C8 Re2 -56.6(3) . . . . ?
C6 Si1 C8 Re2 179.8(2) . . . . ?
C2 Si1 C8 Re2 59.3(3) . . . . ?
C17 Re2 C8 C12 142.4(3) . . . . ?
C19 Re2 C8 C12 -127.3(3) . . . . ?
C18 Re2 C8 C12 -32.3(3) . . . . ?
C10 Re2 C8 C12 77.5(3) . . . . ?
C9 Re2 C8 C12 115.3(3) . . . . ?
C11 Re2 C8 C12 36.8(2) . . . . ?
C17 Re2 C8 C9 27.1(3) . . . . ?
C19 Re2 C8 C9 117.4(2) . . . . ?
C18 Re2 C8 C9 -147.5(2) . . . . ?
C10 Re2 C8 C9 -37.7(2) . . . . ?
C12 Re2 C8 C9 -115.3(3) . . . . ?
C11 Re2 C8 C9 -78.5(2) . . . . ?
C17 Re2 C8 Si1 -92.8(3) . . . . ?
C19 Re2 C8 Si1 -2.4(3) . . . . ?
C18 Re2 C8 Si1 92.6(3) . . . . ?
C10 Re2 C8 Si1 -157.6(3) . . . . ?
C9 Re2 C8 Si1 -119.9(3) . . . . ?
C12 Re2 C8 Si1 124.9(4) . . . . ?
C11 Re2 C8 Si1 161.7(3) . . . . ?
C12 C8 C9 C10 -0.7(4) . . . . ?
Si1 C8 C9 C10 -177.0(3) . . . . ?
Re2 C8 C9 C10 63.4(3) . . . . ?
C12 C8 C9 Si2 176.3(3) . . . . ?
Si1 C8 C9 Si2 0.0(5) . . . . ?
Re2 C8 C9 Si2 -119.5(3) . . . . ?
C12 C8 C9 Re2 -64.2(3) . . . . ?
Si1 C8 C9 Re2 119.6(3) . . . . ?
C13 Si2 C9 C10 -36.8(4) . . . . ?
C14 Si2 C9 C10 86.9(4) . . . . ?
C1 Si2 C9 C10 -152.3(4) . . . . ?
C13 Si2 C9 C8 146.8(3) . . . . ?
C14 Si2 C9 C8 -89.5(4) . . . . ?
C1 Si2 C9 C8 31.3(4) . . . . ?
C13 Si2 C9 Re2 56.9(3) . . . . ?
C14 Si2 C9 Re2 -179.4(2) . . . . ?
C1 Si2 C9 Re2 -58.6(3) . . . . ?
C17 Re2 C9 C10 82.5(3) . . . . ?
C19 Re2 C9 C10 174.3(2) . . . . ?
C18 Re2 C9 C10 -40.1(5) . . . . ?
C8 Re2 C9 C10 -115.6(3) . . . . ?
C12 Re2 C9 C10 -77.8(3) . . . . ?
C11 Re2 C9 C10 -35.9(2) . . . . ?
C17 Re2 C9 C8 -161.9(2) . . . . ?
C19 Re2 C9 C8 -70.1(3) . . . . ?
C18 Re2 C9 C8 75.6(5) . . . . ?
C10 Re2 C9 C8 115.6(3) . . . . ?
C12 Re2 C9 C8 37.9(2) . . . . ?
C11 Re2 C9 C8 79.8(2) . . . . ?
C17 Re2 C9 Si2 -42.4(3) . . . . ?
C19 Re2 C9 Si2 49.4(3) . . . . ?
C18 Re2 C9 Si2 -165.0(4) . . . . ?
C8 Re2 C9 Si2 119.5(3) . . . . ?
C10 Re2 C9 Si2 -124.9(4) . . . . ?
C12 Re2 C9 Si2 157.3(3) . . . . ?
C11 Re2 C9 Si2 -160.8(3) . . . . ?
C8 C9 C10 C11 0.2(5) . . . . ?
Si2 C9 C10 C11 -176.7(3) . . . . ?
Re2 C9 C10 C11 63.2(3) . . . . ?
C8 C9 C10 Re2 -63.0(3) . . . . ?
Si2 C9 C10 Re2 120.1(3) . . . . ?
C17 Re2 C10 C11 137.3(3) . . . . ?
C19 Re2 C10 C11 -128.0(3) . . . . ?
C18 Re2 C10 C11 43.1(3) . . . . ?
C8 Re2 C10 C11 -79.8(3) . . . . ?
C9 Re2 C10 C11 -118.3(4) . . . . ?
C12 Re2 C10 C11 -37.8(2) . . . . ?
C17 Re2 C10 C9 -104.4(3) . . . . ?
C19 Re2 C10 C9 -9.7(4) . . . . ?
C18 Re2 C10 C9 161.4(3) . . . . ?
C8 Re2 C10 C9 38.6(2) . . . . ?
C12 Re2 C10 C9 80.5(3) . . . . ?
C11 Re2 C10 C9 118.3(4) . . . . ?
C9 C10 C11 C12 0.4(5) . . . . ?
Re2 C10 C11 C12 63.1(3) . . . . ?
C9 C10 C11 Re2 -62.7(3) . . . . ?
C17 Re2 C11 C10 -52.1(3) . . . . ?
C19 Re2 C11 C10 114.1(4) . . . . ?
C18 Re2 C11 C10 -144.9(3) . . . . ?
C8 Re2 C11 C10 79.8(3) . . . . ?
C9 Re2 C11 C10 36.9(2) . . . . ?
C12 Re2 C11 C10 116.5(4) . . . . ?
C17 Re2 C11 C12 -168.6(3) . . . . ?
C19 Re2 C11 C12 -2.5(5) . . . . ?
C18 Re2 C11 C12 98.6(3) . . . . ?
C8 Re2 C11 C12 -36.8(2) . . . . ?
C10 Re2 C11 C12 -116.5(4) . . . . ?
C9 Re2 C11 C12 -79.7(3) . . . . ?
C9 C8 C12 C11 1.0(4) . . . . ?
Si1 C8 C12 C11 177.1(3) . . . . ?
Re2 C8 C12 C11 -62.8(3) . . . . ?
C9 C8 C12 Re2 63.8(3) . . . . ?
Si1 C8 C12 Re2 -120.2(3) . . . . ?
C10 C11 C12 C8 -0.9(5) . . . . ?
Re2 C11 C12 C8 62.4(3) . . . . ?
C10 C11 C12 Re2 -63.3(3) . . . . ?
C17 Re2 C12 C8 -93.2(5) . . . . ?
C19 Re2 C12 C8 60.9(3) . . . . ?
C18 Re2 C12 C8 156.1(3) . . . . ?
C10 Re2 C12 C8 -81.0(3) . . . . ?
C9 Re2 C12 C8 -38.8(2) . . . . ?
C11 Re2 C12 C8 -117.8(4) . . . . ?
C17 Re2 C12 C11 24.7(5) . . . . ?
C19 Re2 C12 C11 178.7(2) . . . . ?
C18 Re2 C12 C11 -86.1(3) . . . . ?
C8 Re2 C12 C11 117.8(4) . . . . ?
C10 Re2 C12 C11 36.9(2) . . . . ?
C9 Re2 C12 C11 79.0(3) . . . . ?
C16 Re1 C15 O1 -180(100) . . . . ?
C1 Re1 C15 O1 22(6) . . . . ?
C2 Re1 C15 O1 -17(6) . . . . ?
C5 Re1 C15 O1 46(6) . . . . ?
C3 Re1 C15 O1 -42(6) . . . . ?
C4 Re1 C15 O1 -1(6) . . . . ?
Cl2 Re1 C15 O1 -103(5) . . . . ?
Cl1 Re1 C15 O1 105(6) . . . . ?
C15 Re1 C16 O2 -159(5) . . . . ?
C1 Re1 C16 O2 -20(5) . . . . ?
C2 Re1 C16 O2 58(5) . . . . ?
C5 Re1 C16 O2 -12(5) . . . . ?
C3 Re1 C16 O2 54(5) . . . . ?
C4 Re1 C16 O2 22(5) . . . . ?
Cl2 Re1 C16 O2 126(5) . . . . ?
Cl1 Re1 C16 O2 -84(5) . . . . ?
C19 Re2 C17 O3 -68(12) . . . . ?
C18 Re2 C17 O3 -159(12) . . . . ?
C8 Re2 C17 O3 25(12) . . . . ?
C10 Re2 C17 O3 78(12) . . . . ?
C9 Re2 C17 O3 41(12) . . . . ?
C12 Re2 C17 O3 88(12) . . . . ?
C11 Re2 C17 O3 105(12) . . . . ?
C17 Re2 C18 O4 -123(10) . . . . ?
C19 Re2 C18 O4 150(10) . . . . ?
C8 Re2 C18 O4 53(10) . . . . ?
C10 Re2 C18 O4 -25(10) . . . . ?
C9 Re2 C18 O4 2(10) . . . . ?
C12 Re2 C18 O4 35(10) . . . . ?
C11 Re2 C18 O4 -2(10) . . . . ?
C17 Re2 C19 O5 120(9) . . . . ?
C18 Re2 C19 O5 -150(9) . . . . ?
C8 Re2 C19 O5 -19(9) . . . . ?
C10 Re2 C19 O5 22(9) . . . . ?
C9 Re2 C19 O5 16(9) . . . . ?
C12 Re2 C19 O5 -50(9) . . . . ?
C11 Re2 C19 O5 -48(9) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.804
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.121
_database_code_depnum_ccdc_archive 'CCDC 1017446'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n130725a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        7
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H18 Br4 O4 Re2 Si'
_chemical_formula_weight         1030.46

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7003(7)
_cell_length_b                   14.5407(10)
_cell_length_c                   17.3766(12)
_cell_angle_alpha                95.7090(10)
_cell_angle_beta                 91.8720(10)
_cell_angle_gamma                93.1120(10)
_cell_volume                     2433.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5383
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      28.38

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    2.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1872
_exptl_absorpt_coefficient_mu    16.581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1543
_exptl_absorpt_correction_T_max  0.1900
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12699
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0649
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.18
_diffrn_reflns_theta_max         25.01
_reflns_number_total             8555
_reflns_number_gt                7355
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0303P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8555
_refine_ls_number_parameters     549
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0351
_refine_ls_wR_factor_ref         0.0857
_refine_ls_wR_factor_gt          0.0816
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.71911(3) 0.85855(2) 0.343429(19) 0.01037(9) Uani 1 1 d . . .
Re2 Re 1.14251(4) 0.85219(2) 0.083790(19) 0.01196(9) Uani 1 1 d . . .
Re3 Re 0.28868(3) 0.66739(2) 0.611247(19) 0.01021(9) Uani 1 1 d . . .
Re4 Re 0.73164(3) 0.57972(2) 0.856390(18) 0.00919(9) Uani 1 1 d . . .
Br1 Br 0.52536(9) 0.73363(6) 0.29955(5) 0.01726(19) Uani 1 1 d . . .
Br2 Br 0.84190(9) 0.94286(6) 0.46710(5) 0.0198(2) Uani 1 1 d . . .
Br3 Br 0.90331(9) 0.91732(6) 0.06681(5) 0.0184(2) Uani 1 1 d . . .
Br4 Br 1.39865(10) 0.88376(7) 0.04624(5) 0.0256(2) Uani 1 1 d . . .
Br5 Br 0.08799(9) 0.74912(6) 0.67915(5) 0.0190(2) Uani 1 1 d . . .
Br6 Br 0.41789(9) 0.66281(6) 0.48261(5) 0.01514(19) Uani 1 1 d . . .
Br7 Br 0.50631(9) 0.47905(6) 0.82839(5) 0.0181(2) Uani 1 1 d . . .
Br8 Br 0.98958(9) 0.56187(6) 0.89587(5) 0.0182(2) Uani 1 1 d . . .
Si1 Si 1.0960(3) 0.87071(16) 0.29968(14) 0.0159(5) Uani 1 1 d . . .
Si2 Si 0.6641(2) 0.66626(15) 0.66303(13) 0.0115(5) Uani 1 1 d . . .
O1 O 0.4712(6) 0.9271(4) 0.4364(4) 0.0258(15) Uani 1 1 d . . .
O2 O 0.8011(6) 0.6957(4) 0.4338(3) 0.0206(14) Uani 1 1 d . . .
O3 O 1.2034(8) 1.0625(4) 0.1315(4) 0.0356(18) Uani 1 1 d . . .
O4 O 1.1078(6) 0.8428(4) -0.0952(3) 0.0208(14) Uani 1 1 d . . .
O5 O 0.0537(6) 0.6137(4) 0.4871(4) 0.0241(15) Uani 1 1 d . . .
O6 O 0.3652(6) 0.8747(4) 0.5976(4) 0.0221(15) Uani 1 1 d . . .
O7 O 0.7038(7) 0.4853(4) 1.0071(4) 0.0263(15) Uani 1 1 d . . .
O8 O 0.8176(7) 0.4162(4) 0.7421(4) 0.0246(15) Uani 1 1 d . . .
C1 C 0.9113(9) 0.8914(5) 0.2793(4) 0.0114(18) Uani 1 1 d . . .
C2 C 0.8387(9) 0.9761(6) 0.2933(5) 0.019(2) Uani 1 1 d . . .
H2 H 0.8773 1.0344 0.3236 0.023 Uiso 1 1 calc R . .
C3 C 0.7098(10) 0.9656(6) 0.2517(5) 0.021(2) Uani 1 1 d . . .
H3 H 0.6411 1.0142 0.2491 0.025 Uiso 1 1 calc R . .
C4 C 0.6980(9) 0.8759(6) 0.2124(5) 0.0161(19) Uani 1 1 d . . .
H4 H 0.6189 0.8502 0.1769 0.019 Uiso 1 1 calc R . .
C5 C 0.8199(8) 0.8300(5) 0.2274(5) 0.0105(10) Uani 1 1 d U . .
C6 C 0.8614(8) 0.7374(5) 0.1819(5) 0.0107(9) Uani 1 1 d U . .
C7 C 0.8679(8) 0.6588(5) 0.2364(5) 0.0121(12) Uani 1 1 d U . .
H7A H 0.7766 0.6470 0.2571 0.018 Uiso 1 1 calc R . .
H7B H 0.9350 0.6777 0.2792 0.018 Uiso 1 1 calc R . .
H7C H 0.8964 0.6023 0.2072 0.018 Uiso 1 1 calc R . .
C8 C 0.7612(9) 0.7070(6) 0.1157(5) 0.0146(12) Uani 1 1 d U . .
H8A H 0.7620 0.7540 0.0791 0.022 Uiso 1 1 calc R . .
H8B H 0.6682 0.6988 0.1353 0.022 Uiso 1 1 calc R . .
H8C H 0.7880 0.6482 0.0895 0.022 Uiso 1 1 calc R . .
C9 C 1.0136(8) 0.7499(5) 0.1591(5) 0.0105(10) Uani 1 1 d U . .
C10 C 1.1230(9) 0.7987(5) 0.2057(5) 0.0155(19) Uani 1 1 d . . .
C11 C 1.2482(9) 0.7745(6) 0.1692(5) 0.018(2) Uani 1 1 d . . .
H11 H 1.3435 0.7904 0.1920 0.021 Uiso 1 1 calc R . .
C12 C 1.2154(9) 0.7139(6) 0.1005(5) 0.020(2) Uani 1 1 d . . .
H12 H 1.2830 0.6797 0.0679 0.024 Uiso 1 1 calc R . .
C13 C 1.0711(9) 0.6998(5) 0.0940(5) 0.0147(19) Uani 1 1 d U . .
H13 H 1.0180 0.6576 0.0532 0.018 Uiso 1 1 calc R . .
C14 C 1.1326(9) 0.8030(6) 0.3824(5) 0.023(2) Uani 1 1 d . . .
H14A H 1.1132 0.8396 0.4309 0.034 Uiso 1 1 calc R . .
H14B H 1.2300 0.7882 0.3831 0.034 Uiso 1 1 calc R . .
H14C H 1.0740 0.7455 0.3769 0.034 Uiso 1 1 calc R . .
C15 C 1.2045(10) 0.9811(6) 0.3099(5) 0.025(2) Uani 1 1 d . . .
H15A H 1.1634 1.0252 0.2781 0.038 Uiso 1 1 calc R . .
H15B H 1.2977 0.9692 0.2928 0.038 Uiso 1 1 calc R . .
H15C H 1.2096 1.0070 0.3643 0.038 Uiso 1 1 calc R . .
C16 C 0.5632(9) 0.9004(6) 0.4038(5) 0.0157(19) Uani 1 1 d . . .
C17 C 0.7680(8) 0.7560(6) 0.4019(5) 0.0135(18) Uani 1 1 d U . .
C18 C 1.1814(10) 0.9851(7) 0.1130(5) 0.021(2) Uani 1 1 d . . .
C19 C 1.1223(9) 0.8499(6) -0.0291(5) 0.0168(19) Uani 1 1 d . . .
C20 C 0.4806(9) 0.6184(5) 0.6664(5) 0.0134(19) Uani 1 1 d . . .
C21 C 0.3921(8) 0.6429(5) 0.7288(5) 0.0108(17) Uani 1 1 d U . .
C22 C 0.2681(9) 0.5825(5) 0.7169(5) 0.0128(18) Uani 1 1 d . . .
H22 H 0.1883 0.5825 0.7519 0.015 Uiso 1 1 calc R . .
C23 C 0.2823(9) 0.5187(6) 0.6499(5) 0.0165(19) Uani 1 1 d U . .
H23 H 0.2153 0.4662 0.6303 0.020 Uiso 1 1 calc R . .
C24 C 0.4123(9) 0.5400(5) 0.6188(5) 0.0134(18) Uani 1 1 d . . .
H24 H 0.4535 0.5038 0.5742 0.016 Uiso 1 1 calc R . .
C25 C 0.4338(8) 0.7070(5) 0.8025(5) 0.0102(17) Uani 1 1 d . . .
C26 C 0.4254(9) 0.8113(5) 0.7897(5) 0.018(2) Uani 1 1 d . . .
H26A H 0.4482 0.8496 0.8385 0.026 Uiso 1 1 calc R . .
H26B H 0.3315 0.8225 0.7717 0.026 Uiso 1 1 calc R . .
H26C H 0.4910 0.8274 0.7508 0.026 Uiso 1 1 calc R . .
C27 C 0.3368(8) 0.6867(5) 0.8671(5) 0.0127(18) Uani 1 1 d . . .
H27A H 0.3441 0.6225 0.8785 0.019 Uiso 1 1 calc R . .
H27B H 0.2415 0.6960 0.8504 0.019 Uiso 1 1 calc R . .
H27C H 0.3625 0.7286 0.9136 0.019 Uiso 1 1 calc R . .
C28 C 0.5864(8) 0.6997(5) 0.8253(5) 0.0108(17) Uani 1 1 d U . .
C29 C 0.6965(8) 0.6905(5) 0.7705(5) 0.0114(17) Uani 1 1 d U . .
C30 C 0.8236(9) 0.7093(5) 0.8163(5) 0.0141(19) Uani 1 1 d . . .
H30 H 0.9179 0.7174 0.7956 0.017 Uiso 1 1 calc R . .
C31 C 0.7889(9) 0.7271(5) 0.8960(5) 0.0130(18) Uani 1 1 d . . .
H31 H 0.8559 0.7494 0.9397 0.016 Uiso 1 1 calc R . .
C32 C 0.6446(9) 0.7205(5) 0.9009(5) 0.0152(19) Uani 1 1 d . . .
H32 H 0.5921 0.7330 0.9491 0.018 Uiso 1 1 calc R . .
C33 C 0.6909(9) 0.7780(6) 0.6201(5) 0.020(2) Uani 1 1 d . . .
H33A H 0.7899 0.7914 0.6144 0.030 Uiso 1 1 calc R . .
H33B H 0.6538 0.8278 0.6541 0.030 Uiso 1 1 calc R . .
H33C H 0.6431 0.7734 0.5692 0.030 Uiso 1 1 calc R . .
C34 C 0.7692(9) 0.5766(6) 0.6143(5) 0.018(2) Uani 1 1 d . . .
H34A H 0.7639 0.5803 0.5583 0.028 Uiso 1 1 calc R . .
H34B H 0.7337 0.5152 0.6256 0.028 Uiso 1 1 calc R . .
H34C H 0.8656 0.5870 0.6333 0.028 Uiso 1 1 calc R . .
C35 C 0.1377(9) 0.6385(6) 0.5322(5) 0.017(2) Uani 1 1 d . . .
C36 C 0.3355(9) 0.7989(6) 0.6014(5) 0.0152(19) Uani 1 1 d . . .
C37 C 0.7135(9) 0.5183(5) 0.9506(5) 0.0164(19) Uani 1 1 d . . .
C38 C 0.7854(9) 0.4748(6) 0.7846(5) 0.017(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C17 1.956(9) . ?
Re1 C16 1.958(9) . ?
Re1 C1 2.256(8) . ?
Re1 C2 2.274(8) . ?
Re1 C5 2.281(8) . ?
Re1 C4 2.319(8) . ?
Re1 C3 2.339(8) . ?
Re1 Br1 2.5832(9) . ?
Re1 Br2 2.5865(9) . ?
Re2 C19 1.962(9) . ?
Re2 C18 1.962(10) . ?
Re2 C12 2.210(8) . ?
Re2 C11 2.211(8) . ?
Re2 C13 2.311(8) . ?
Re2 C10 2.337(8) . ?
Re2 C9 2.404(8) . ?
Re2 Br3 2.5724(9) . ?
Re2 Br4 2.6175(10) . ?
Re3 C36 1.967(9) . ?
Re3 C35 1.974(9) . ?
Re3 C20 2.248(8) . ?
Re3 C24 2.273(8) . ?
Re3 C21 2.315(7) . ?
Re3 C22 2.319(8) . ?
Re3 C23 2.326(8) . ?
Re3 Br5 2.5916(9) . ?
Re3 Br6 2.5951(9) . ?
Re4 C37 1.950(9) . ?
Re4 C38 1.976(10) . ?
Re4 C31 2.219(8) . ?
Re4 C30 2.224(8) . ?
Re4 C32 2.327(8) . ?
Re4 C29 2.333(8) . ?
Re4 C28 2.393(7) . ?
Re4 Br7 2.5688(9) . ?
Re4 Br8 2.6062(9) . ?
Si1 C14 1.857(8) . ?
Si1 C1 1.861(9) . ?
Si1 C15 1.862(9) . ?
Si1 C10 1.884(9) . ?
Si2 C34 1.854(9) . ?
Si2 C33 1.863(8) . ?
Si2 C29 1.879(8) . ?
Si2 C20 1.881(9) . ?
O1 C16 1.138(10) . ?
O2 C17 1.138(10) . ?
O3 C18 1.146(11) . ?
O4 C19 1.146(10) . ?
O5 C35 1.130(10) . ?
O6 C36 1.133(10) . ?
O7 C37 1.140(10) . ?
O8 C38 1.136(11) . ?
C1 C5 1.449(11) . ?
C1 C2 1.455(11) . ?
C2 C3 1.416(12) . ?
C2 H2 1.0000 . ?
C3 C4 1.408(12) . ?
C3 H3 1.0000 . ?
C4 C5 1.419(11) . ?
C4 H4 1.0000 . ?
C5 C6 1.571(11) . ?
C6 C8 1.497(11) . ?
C6 C9 1.547(11) . ?
C6 C7 1.558(10) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.426(11) . ?
C9 C13 1.429(11) . ?
C10 C11 1.434(12) . ?
C11 C12 1.427(12) . ?
C11 H11 1.0000 . ?
C12 C13 1.403(12) . ?
C12 H12 1.0000 . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C20 C21 1.434(12) . ?
C20 C24 1.455(11) . ?
C21 C22 1.446(11) . ?
C21 C25 1.536(11) . ?
C22 C23 1.430(12) . ?
C22 H22 1.0000 . ?
C23 C24 1.419(12) . ?
C23 H23 1.0000 . ?
C24 H24 1.0000 . ?
C25 C27 1.529(11) . ?
C25 C28 1.532(11) . ?
C25 C26 1.561(10) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C32 1.410(11) . ?
C28 C29 1.457(11) . ?
C29 C30 1.443(11) . ?
C30 C31 1.437(12) . ?
C30 H30 1.0000 . ?
C31 C32 1.405(12) . ?
C31 H31 1.0000 . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?

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
C17 Re1 C16 98.5(3) . . ?
C17 Re1 C1 104.1(3) . . ?
C16 Re1 C1 149.9(3) . . ?
C17 Re1 C2 135.3(3) . . ?
C16 Re1 C2 112.9(3) . . ?
C1 Re1 C2 37.5(3) . . ?
C17 Re1 C5 104.7(3) . . ?
C16 Re1 C5 150.4(3) . . ?
C1 Re1 C5 37.3(3) . . ?
C2 Re1 C5 60.8(3) . . ?
C17 Re1 C4 133.7(3) . . ?
C16 Re1 C4 114.6(3) . . ?
C1 Re1 C4 61.2(3) . . ?
C2 Re1 C4 59.6(3) . . ?
C5 Re1 C4 35.9(3) . . ?
C17 Re1 C3 163.9(3) . . ?
C16 Re1 C3 97.5(3) . . ?
C1 Re1 C3 61.3(3) . . ?
C2 Re1 C3 35.7(3) . . ?
C5 Re1 C3 59.8(3) . . ?
C4 Re1 C3 35.2(3) . . ?
C17 Re1 Br1 77.6(2) . . ?
C16 Re1 Br1 77.3(2) . . ?
C1 Re1 Br1 126.6(2) . . ?
C2 Re1 Br1 138.3(2) . . ?
C5 Re1 Br1 89.9(2) . . ?
C4 Re1 Br1 79.1(2) . . ?
C3 Re1 Br1 105.0(2) . . ?
C17 Re1 Br2 77.4(2) . . ?
C16 Re1 Br2 77.8(2) . . ?
C1 Re1 Br2 88.0(2) . . ?
C2 Re1 Br2 79.1(2) . . ?
C5 Re1 Br2 124.9(2) . . ?
C4 Re1 Br2 138.6(2) . . ?
C3 Re1 Br2 107.2(2) . . ?
Br1 Re1 Br2 141.35(3) . . ?
C19 Re2 C18 100.5(4) . . ?
C19 Re2 C12 103.4(3) . . ?
C18 Re2 C12 143.3(3) . . ?
C19 Re2 C11 138.0(3) . . ?
C18 Re2 C11 108.8(3) . . ?
C12 Re2 C11 37.7(3) . . ?
C19 Re2 C13 98.1(3) . . ?
C18 Re2 C13 159.6(3) . . ?
C12 Re2 C13 36.1(3) . . ?
C11 Re2 C13 60.5(3) . . ?
C19 Re2 C10 157.7(3) . . ?
C18 Re2 C10 100.8(3) . . ?
C12 Re2 C10 61.7(3) . . ?
C11 Re2 C10 36.6(3) . . ?
C13 Re2 C10 59.9(3) . . ?
C19 Re2 C9 124.1(3) . . ?
C18 Re2 C9 124.8(3) . . ?
C12 Re2 C9 59.6(3) . . ?
C11 Re2 C9 59.1(3) . . ?
C13 Re2 C9 35.2(3) . . ?
C10 Re2 C9 35.0(3) . . ?
C19 Re2 Br3 78.1(2) . . ?
C18 Re2 Br3 77.6(3) . . ?
C12 Re2 Br3 134.4(2) . . ?
C11 Re2 Br3 136.6(2) . . ?
C13 Re2 Br3 98.3(2) . . ?
C10 Re2 Br3 100.3(2) . . ?
C9 Re2 Br3 81.59(19) . . ?
C19 Re2 Br4 78.4(2) . . ?
C18 Re2 Br4 75.4(3) . . ?
C12 Re2 Br4 82.6(2) . . ?
C11 Re2 Br4 80.6(2) . . ?
C13 Re2 Br4 116.7(2) . . ?
C10 Re2 Br4 113.3(2) . . ?
C9 Re2 Br4 138.34(19) . . ?
Br3 Re2 Br4 140.00(3) . . ?
C36 Re3 C35 102.0(3) . . ?
C36 Re3 C20 103.8(3) . . ?
C35 Re3 C20 146.2(3) . . ?
C36 Re3 C24 134.8(3) . . ?
C35 Re3 C24 109.1(3) . . ?
C20 Re3 C24 37.6(3) . . ?
C36 Re3 C21 103.9(3) . . ?
C35 Re3 C21 149.9(3) . . ?
C20 Re3 C21 36.6(3) . . ?
C24 Re3 C21 61.0(3) . . ?
C36 Re3 C22 133.0(3) . . ?
C35 Re3 C22 113.5(3) . . ?
C20 Re3 C22 61.0(3) . . ?
C24 Re3 C22 60.1(3) . . ?
C21 Re3 C22 36.4(3) . . ?
C36 Re3 C23 163.9(3) . . ?
C35 Re3 C23 94.2(3) . . ?
C20 Re3 C23 61.4(3) . . ?
C24 Re3 C23 35.9(3) . . ?
C21 Re3 C23 60.6(3) . . ?
C22 Re3 C23 35.9(3) . . ?
C36 Re3 Br5 77.2(3) . . ?
C35 Re3 Br5 79.2(3) . . ?
C20 Re3 Br5 127.8(2) . . ?
C24 Re3 Br5 139.7(2) . . ?
C21 Re3 Br5 91.7(2) . . ?
C22 Re3 Br5 80.2(2) . . ?
C23 Re3 Br5 106.0(2) . . ?
C36 Re3 Br6 76.9(2) . . ?
C35 Re3 Br6 77.2(3) . . ?
C20 Re3 Br6 87.7(2) . . ?
C24 Re3 Br6 78.9(2) . . ?
C21 Re3 Br6 123.7(2) . . ?
C22 Re3 Br6 139.0(2) . . ?
C23 Re3 Br6 107.3(2) . . ?
Br5 Re3 Br6 140.14(3) . . ?
C37 Re4 C38 99.8(3) . . ?
C37 Re4 C31 105.4(3) . . ?
C38 Re4 C31 142.3(3) . . ?
C37 Re4 C30 140.3(3) . . ?
C38 Re4 C30 107.8(3) . . ?
C31 Re4 C30 37.7(3) . . ?
C37 Re4 C32 98.2(3) . . ?
C38 Re4 C32 160.4(3) . . ?
C31 Re4 C32 35.9(3) . . ?
C30 Re4 C32 61.0(3) . . ?
C37 Re4 C29 157.7(3) . . ?
C38 Re4 C29 100.8(3) . . ?
C31 Re4 C29 61.5(3) . . ?
C30 Re4 C29 36.8(3) . . ?
C32 Re4 C29 60.3(3) . . ?
C37 Re4 C28 122.5(3) . . ?
C38 Re4 C28 126.4(3) . . ?
C31 Re4 C28 59.0(3) . . ?
C30 Re4 C28 59.9(3) . . ?
C32 Re4 C28 34.7(3) . . ?
C29 Re4 C28 35.9(3) . . ?
C37 Re4 Br7 77.5(3) . . ?
C38 Re4 Br7 76.0(3) . . ?
C31 Re4 Br7 136.4(2) . . ?
C30 Re4 Br7 136.1(2) . . ?
C32 Re4 Br7 100.6(2) . . ?
C29 Re4 Br7 99.4(2) . . ?
C28 Re4 Br7 82.27(19) . . ?
C37 Re4 Br8 78.6(3) . . ?
C38 Re4 Br8 76.3(2) . . ?
C31 Re4 Br8 81.8(2) . . ?
C30 Re4 Br8 81.0(2) . . ?
C32 Re4 Br8 115.1(2) . . ?
C29 Re4 Br8 114.7(2) . . ?
C28 Re4 Br8 138.38(19) . . ?
Br7 Re4 Br8 139.34(3) . . ?
C14 Si1 C1 116.3(4) . . ?
C14 Si1 C15 110.1(4) . . ?
C1 Si1 C15 111.2(4) . . ?
C14 Si1 C10 110.0(4) . . ?
C1 Si1 C10 96.4(4) . . ?
C15 Si1 C10 112.2(4) . . ?
C34 Si2 C33 110.7(4) . . ?
C34 Si2 C29 115.5(4) . . ?
C33 Si2 C29 107.6(4) . . ?
C34 Si2 C20 109.2(4) . . ?
C33 Si2 C20 116.7(4) . . ?
C29 Si2 C20 96.7(4) . . ?
C5 C1 C2 105.1(7) . . ?
C5 C1 Si1 123.8(6) . . ?
C2 C1 Si1 129.4(6) . . ?
C5 C1 Re1 72.3(5) . . ?
C2 C1 Re1 72.0(5) . . ?
Si1 C1 Re1 131.5(4) . . ?
C3 C2 C1 109.3(8) . . ?
C3 C2 Re1 74.6(5) . . ?
C1 C2 Re1 70.6(5) . . ?
C3 C2 H2 125.2 . . ?
C1 C2 H2 125.2 . . ?
Re1 C2 H2 125.2 . . ?
C4 C3 C2 107.8(8) . . ?
C4 C3 Re1 71.6(4) . . ?
C2 C3 Re1 69.6(5) . . ?
C4 C3 H3 126.1 . . ?
C2 C3 H3 126.1 . . ?
Re1 C3 H3 126.1 . . ?
C3 C4 C5 109.1(8) . . ?
C3 C4 Re1 73.2(5) . . ?
C5 C4 Re1 70.6(5) . . ?
C3 C4 H4 125.4 . . ?
C5 C4 H4 125.4 . . ?
Re1 C4 H4 125.4 . . ?
C4 C5 C1 108.6(7) . . ?
C4 C5 C6 125.1(7) . . ?
C1 C5 C6 125.2(7) . . ?
C4 C5 Re1 73.5(5) . . ?
C1 C5 Re1 70.4(5) . . ?
C6 C5 Re1 131.5(5) . . ?
C8 C6 C9 114.7(7) . . ?
C8 C6 C7 109.0(6) . . ?
C9 C6 C7 102.1(6) . . ?
C8 C6 C5 111.3(7) . . ?
C9 C6 C5 108.5(6) . . ?
C7 C6 C5 110.9(6) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C13 108.8(7) . . ?
C10 C9 C6 126.0(7) . . ?
C13 C9 C6 124.3(7) . . ?
C10 C9 Re2 70.0(4) . . ?
C13 C9 Re2 68.8(4) . . ?
C6 C9 Re2 135.8(5) . . ?
C9 C10 C11 105.9(8) . . ?
C9 C10 Si1 123.6(6) . . ?
C11 C10 Si1 130.2(7) . . ?
C9 C10 Re2 75.1(5) . . ?
C11 C10 Re2 66.9(5) . . ?
Si1 C10 Re2 126.7(4) . . ?
C12 C11 C10 109.3(8) . . ?
C12 C11 Re2 71.1(4) . . ?
C10 C11 Re2 76.5(5) . . ?
C12 C11 H11 125.1 . . ?
C10 C11 H11 125.1 . . ?
Re2 C11 H11 125.1 . . ?
C13 C12 C11 107.4(8) . . ?
C13 C12 Re2 75.9(5) . . ?
C11 C12 Re2 71.2(5) . . ?
C13 C12 H12 126.0 . . ?
C11 C12 H12 126.0 . . ?
Re2 C12 H12 126.0 . . ?
C12 C13 C9 108.5(7) . . ?
C12 C13 Re2 68.0(5) . . ?
C9 C13 Re2 76.0(5) . . ?
C12 C13 H13 125.7 . . ?
C9 C13 H13 125.7 . . ?
Re2 C13 H13 125.7 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O1 C16 Re1 177.0(7) . . ?
O2 C17 Re1 177.0(7) . . ?
O3 C18 Re2 178.6(8) . . ?
O4 C19 Re2 175.7(7) . . ?
C21 C20 C24 107.3(7) . . ?
C21 C20 Si2 123.4(6) . . ?
C24 C20 Si2 128.1(6) . . ?
C21 C20 Re3 74.2(4) . . ?
C24 C20 Re3 72.1(4) . . ?
Si2 C20 Re3 128.6(4) . . ?
C20 C21 C22 107.3(7) . . ?
C20 C21 C25 125.6(7) . . ?
C22 C21 C25 126.1(7) . . ?
C20 C21 Re3 69.2(4) . . ?
C22 C21 Re3 72.0(4) . . ?
C25 C21 Re3 133.2(5) . . ?
C23 C22 C21 108.9(8) . . ?
C23 C22 Re3 72.3(5) . . ?
C21 C22 Re3 71.7(4) . . ?
C23 C22 H22 125.5 . . ?
C21 C22 H22 125.5 . . ?
Re3 C22 H22 125.5 . . ?
C24 C23 C22 107.5(7) . . ?
C24 C23 Re3 70.0(4) . . ?
C22 C23 Re3 71.8(4) . . ?
C24 C23 H23 126.2 . . ?
C22 C23 H23 126.2 . . ?
Re3 C23 H23 126.2 . . ?
C23 C24 C20 108.8(7) . . ?
C23 C24 Re3 74.1(5) . . ?
C20 C24 Re3 70.3(4) . . ?
C23 C24 H24 125.5 . . ?
C20 C24 H24 125.5 . . ?
Re3 C24 H24 125.5 . . ?
C27 C25 C28 113.0(6) . . ?
C27 C25 C21 109.7(6) . . ?
C28 C25 C21 111.1(7) . . ?
C27 C25 C26 107.6(7) . . ?
C28 C25 C26 103.1(6) . . ?
C21 C25 C26 112.1(6) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C32 C28 C29 109.5(7) . . ?
C32 C28 C25 124.9(8) . . ?
C29 C28 C25 124.4(7) . . ?
C32 C28 Re4 70.1(4) . . ?
C29 C28 Re4 69.8(4) . . ?
C25 C28 Re4 136.6(5) . . ?
C30 C29 C28 105.5(7) . . ?
C30 C29 Si2 131.0(6) . . ?
C28 C29 Si2 123.4(6) . . ?
C30 C29 Re4 67.5(4) . . ?
C28 C29 Re4 74.3(4) . . ?
Si2 C29 Re4 125.7(4) . . ?
C31 C30 C29 108.0(8) . . ?
C31 C30 Re4 71.0(4) . . ?
C29 C30 Re4 75.7(5) . . ?
C31 C30 H30 125.7 . . ?
C29 C30 H30 125.7 . . ?
Re4 C30 H30 125.7 . . ?
C32 C31 C30 109.0(7) . . ?
C32 C31 Re4 76.2(5) . . ?
C30 C31 Re4 71.3(4) . . ?
C32 C31 H31 125.2 . . ?
C30 C31 H31 125.2 . . ?
Re4 C31 H31 125.2 . . ?
C31 C32 C28 108.0(7) . . ?
C31 C32 Re4 67.9(4) . . ?
C28 C32 Re4 75.2(5) . . ?
C31 C32 H32 125.9 . . ?
C28 C32 H32 125.9 . . ?
Re4 C32 H32 125.9 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O5 C35 Re3 173.7(7) . . ?
O6 C36 Re3 177.9(8) . . ?
O7 C37 Re4 177.7(7) . . ?
O8 C38 Re4 178.1(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
C14 Si1 C1 C5 -90.3(7) . . . . ?
C15 Si1 C1 C5 142.6(7) . . . . ?
C10 Si1 C1 C5 25.8(7) . . . . ?
C14 Si1 C1 C2 106.7(8) . . . . ?
C15 Si1 C1 C2 -20.5(9) . . . . ?
C10 Si1 C1 C2 -137.3(8) . . . . ?
C14 Si1 C1 Re1 5.6(7) . . . . ?
C15 Si1 C1 Re1 -121.5(5) . . . . ?
C10 Si1 C1 Re1 121.7(5) . . . . ?
C17 Re1 C1 C5 95.9(5) . . . . ?
C16 Re1 C1 C5 -126.5(6) . . . . ?
C2 Re1 C1 C5 -113.1(7) . . . . ?
C4 Re1 C1 C5 -36.5(4) . . . . ?
C3 Re1 C1 C5 -76.8(5) . . . . ?
Br1 Re1 C1 C5 10.9(5) . . . . ?
Br2 Re1 C1 C5 172.3(4) . . . . ?
C17 Re1 C1 C2 -151.1(5) . . . . ?
C16 Re1 C1 C2 -13.4(9) . . . . ?
C5 Re1 C1 C2 113.1(7) . . . . ?
C4 Re1 C1 C2 76.6(5) . . . . ?
C3 Re1 C1 C2 36.2(5) . . . . ?
Br1 Re1 C1 C2 124.0(4) . . . . ?
Br2 Re1 C1 C2 -74.6(5) . . . . ?
C17 Re1 C1 Si1 -23.9(6) . . . . ?
C16 Re1 C1 Si1 113.7(7) . . . . ?
C2 Re1 C1 Si1 127.1(8) . . . . ?
C5 Re1 C1 Si1 -119.8(7) . . . . ?
C4 Re1 C1 Si1 -156.3(6) . . . . ?
C3 Re1 C1 Si1 163.4(7) . . . . ?
Br1 Re1 C1 Si1 -108.9(5) . . . . ?
Br2 Re1 C1 Si1 52.5(5) . . . . ?
C5 C1 C2 C3 0.1(9) . . . . ?
Si1 C1 C2 C3 165.6(6) . . . . ?
Re1 C1 C2 C3 -65.1(6) . . . . ?
C5 C1 C2 Re1 65.2(5) . . . . ?
Si1 C1 C2 Re1 -129.3(7) . . . . ?
C17 Re1 C2 C3 159.2(5) . . . . ?
C16 Re1 C2 C3 -69.8(6) . . . . ?
C1 Re1 C2 C3 117.4(7) . . . . ?
C5 Re1 C2 C3 77.8(5) . . . . ?
C4 Re1 C2 C3 36.2(5) . . . . ?
Br1 Re1 C2 C3 26.8(7) . . . . ?
Br2 Re1 C2 C3 -141.5(5) . . . . ?
C17 Re1 C2 C1 41.8(7) . . . . ?
C16 Re1 C2 C1 172.7(5) . . . . ?
C5 Re1 C2 C1 -39.6(5) . . . . ?
C4 Re1 C2 C1 -81.2(5) . . . . ?
C3 Re1 C2 C1 -117.4(7) . . . . ?
Br1 Re1 C2 C1 -90.6(5) . . . . ?
Br2 Re1 C2 C1 101.1(5) . . . . ?
C1 C2 C3 C4 0.7(10) . . . . ?
Re1 C2 C3 C4 -61.8(6) . . . . ?
C1 C2 C3 Re1 62.5(6) . . . . ?
C17 Re1 C3 C4 53.4(14) . . . . ?
C16 Re1 C3 C4 -122.8(5) . . . . ?
C1 Re1 C3 C4 79.9(6) . . . . ?
C2 Re1 C3 C4 117.9(8) . . . . ?
C5 Re1 C3 C4 36.8(5) . . . . ?
Br1 Re1 C3 C4 -44.0(5) . . . . ?
Br2 Re1 C3 C4 157.7(5) . . . . ?
C17 Re1 C3 C2 -64.4(13) . . . . ?
C16 Re1 C3 C2 119.3(6) . . . . ?
C1 Re1 C3 C2 -38.0(5) . . . . ?
C5 Re1 C3 C2 -81.0(6) . . . . ?
C4 Re1 C3 C2 -117.9(8) . . . . ?
Br1 Re1 C3 C2 -161.9(5) . . . . ?
Br2 Re1 C3 C2 39.8(5) . . . . ?
C2 C3 C4 C5 -1.3(9) . . . . ?
Re1 C3 C4 C5 -61.8(6) . . . . ?
C2 C3 C4 Re1 60.5(6) . . . . ?
C17 Re1 C4 C3 -162.1(5) . . . . ?
C16 Re1 C4 C3 66.4(6) . . . . ?
C1 Re1 C4 C3 -80.1(6) . . . . ?
C2 Re1 C4 C3 -36.8(5) . . . . ?
C5 Re1 C4 C3 -118.0(7) . . . . ?
Br1 Re1 C4 C3 136.9(5) . . . . ?
Br2 Re1 C4 C3 -33.3(7) . . . . ?
C17 Re1 C4 C5 -44.1(7) . . . . ?
C16 Re1 C4 C5 -175.6(5) . . . . ?
C1 Re1 C4 C5 37.9(4) . . . . ?
C2 Re1 C4 C5 81.2(5) . . . . ?
C3 Re1 C4 C5 118.0(7) . . . . ?
Br1 Re1 C4 C5 -105.2(4) . . . . ?
Br2 Re1 C4 C5 84.6(5) . . . . ?
C3 C4 C5 C1 1.4(9) . . . . ?
Re1 C4 C5 C1 -62.1(5) . . . . ?
C3 C4 C5 C6 -166.9(7) . . . . ?
Re1 C4 C5 C6 129.6(8) . . . . ?
C3 C4 C5 Re1 63.5(6) . . . . ?
C2 C1 C5 C4 -0.9(9) . . . . ?
Si1 C1 C5 C4 -167.4(6) . . . . ?
Re1 C1 C5 C4 64.1(6) . . . . ?
C2 C1 C5 C6 167.4(7) . . . . ?
Si1 C1 C5 C6 0.9(11) . . . . ?
Re1 C1 C5 C6 -127.6(7) . . . . ?
C2 C1 C5 Re1 -65.0(6) . . . . ?
Si1 C1 C5 Re1 128.5(6) . . . . ?
C17 Re1 C5 C4 148.6(5) . . . . ?
C16 Re1 C5 C4 8.0(8) . . . . ?
C1 Re1 C5 C4 -117.3(6) . . . . ?
C2 Re1 C5 C4 -77.4(5) . . . . ?
C3 Re1 C5 C4 -36.1(5) . . . . ?
Br1 Re1 C5 C4 71.4(4) . . . . ?
Br2 Re1 C5 C4 -126.7(4) . . . . ?
C17 Re1 C5 C1 -94.1(5) . . . . ?
C16 Re1 C5 C1 125.3(6) . . . . ?
C2 Re1 C5 C1 39.9(4) . . . . ?
C4 Re1 C5 C1 117.3(6) . . . . ?
C3 Re1 C5 C1 81.2(5) . . . . ?
Br1 Re1 C5 C1 -171.3(4) . . . . ?
Br2 Re1 C5 C1 -9.4(5) . . . . ?
C17 Re1 C5 C6 26.0(8) . . . . ?
C16 Re1 C5 C6 -114.5(8) . . . . ?
C1 Re1 C5 C6 120.1(9) . . . . ?
C2 Re1 C5 C6 160.0(8) . . . . ?
C4 Re1 C5 C6 -122.6(9) . . . . ?
C3 Re1 C5 C6 -158.7(8) . . . . ?
Br1 Re1 C5 C6 -51.2(7) . . . . ?
Br2 Re1 C5 C6 110.7(7) . . . . ?
C4 C5 C6 C8 4.7(11) . . . . ?
C1 C5 C6 C8 -161.7(7) . . . . ?
Re1 C5 C6 C8 103.8(7) . . . . ?
C4 C5 C6 C9 131.8(8) . . . . ?
C1 C5 C6 C9 -34.6(10) . . . . ?
Re1 C5 C6 C9 -129.1(6) . . . . ?
C4 C5 C6 C7 -116.8(8) . . . . ?
C1 C5 C6 C7 76.7(9) . . . . ?
Re1 C5 C6 C7 -17.7(10) . . . . ?
C8 C6 C9 C10 163.8(7) . . . . ?
C7 C6 C9 C10 -78.5(9) . . . . ?
C5 C6 C9 C10 38.6(10) . . . . ?
C8 C6 C9 C13 -28.5(11) . . . . ?
C7 C6 C9 C13 89.3(8) . . . . ?
C5 C6 C9 C13 -153.6(7) . . . . ?
C8 C6 C9 Re2 65.8(10) . . . . ?
C7 C6 C9 Re2 -176.5(6) . . . . ?
C5 C6 C9 Re2 -59.3(9) . . . . ?
C19 Re2 C9 C10 168.9(5) . . . . ?
C18 Re2 C9 C10 -53.3(6) . . . . ?
C12 Re2 C9 C10 83.1(5) . . . . ?
C11 Re2 C9 C10 39.0(5) . . . . ?
C13 Re2 C9 C10 120.6(7) . . . . ?
Br3 Re2 C9 C10 -121.8(5) . . . . ?
Br4 Re2 C9 C10 55.4(6) . . . . ?
C19 Re2 C9 C13 48.3(6) . . . . ?
C18 Re2 C9 C13 -173.9(5) . . . . ?
C12 Re2 C9 C13 -37.5(5) . . . . ?
C11 Re2 C9 C13 -81.6(5) . . . . ?
C10 Re2 C9 C13 -120.6(7) . . . . ?
Br3 Re2 C9 C13 117.6(5) . . . . ?
Br4 Re2 C9 C13 -65.2(5) . . . . ?
C19 Re2 C9 C6 -69.7(9) . . . . ?
C18 Re2 C9 C6 68.2(9) . . . . ?
C12 Re2 C9 C6 -155.5(9) . . . . ?
C11 Re2 C9 C6 160.5(9) . . . . ?
C13 Re2 C9 C6 -118.0(9) . . . . ?
C10 Re2 C9 C6 121.4(10) . . . . ?
Br3 Re2 C9 C6 -0.3(7) . . . . ?
Br4 Re2 C9 C6 176.9(6) . . . . ?
C13 C9 C10 C11 -2.1(9) . . . . ?
C6 C9 C10 C11 167.2(7) . . . . ?
Re2 C9 C10 C11 -60.1(5) . . . . ?
C13 C9 C10 Si1 -177.6(5) . . . . ?
C6 C9 C10 Si1 -8.3(11) . . . . ?
Re2 C9 C10 Si1 124.4(6) . . . . ?
C13 C9 C10 Re2 58.0(5) . . . . ?
C6 C9 C10 Re2 -132.7(7) . . . . ?
C14 Si1 C10 C9 98.4(7) . . . . ?
C1 Si1 C10 C9 -22.6(7) . . . . ?
C15 Si1 C10 C9 -138.7(7) . . . . ?
C14 Si1 C10 C11 -75.9(8) . . . . ?
C1 Si1 C10 C11 163.0(7) . . . . ?
C15 Si1 C10 C11 47.0(9) . . . . ?
C14 Si1 C10 Re2 -165.3(5) . . . . ?
C1 Si1 C10 Re2 73.7(5) . . . . ?
C15 Si1 C10 Re2 -42.4(6) . . . . ?
C19 Re2 C10 C9 -24.9(11) . . . . ?
C18 Re2 C10 C9 137.9(5) . . . . ?
C12 Re2 C10 C9 -76.5(5) . . . . ?
C11 Re2 C10 C9 -115.0(7) . . . . ?
C13 Re2 C10 C9 -35.0(5) . . . . ?
Br3 Re2 C10 C9 58.7(5) . . . . ?
Br4 Re2 C10 C9 -143.4(4) . . . . ?
C19 Re2 C10 C11 90.1(9) . . . . ?
C18 Re2 C10 C11 -107.0(6) . . . . ?
C12 Re2 C10 C11 38.5(5) . . . . ?
C13 Re2 C10 C11 80.0(5) . . . . ?
C9 Re2 C10 C11 115.0(7) . . . . ?
Br3 Re2 C10 C11 173.8(5) . . . . ?
Br4 Re2 C10 C11 -28.4(5) . . . . ?
C19 Re2 C10 Si1 -146.0(7) . . . . ?
C18 Re2 C10 Si1 16.9(6) . . . . ?
C12 Re2 C10 Si1 162.4(6) . . . . ?
C11 Re2 C10 Si1 123.9(8) . . . . ?
C13 Re2 C10 Si1 -156.1(6) . . . . ?
C9 Re2 C10 Si1 -121.1(8) . . . . ?
Br3 Re2 C10 Si1 -62.3(5) . . . . ?
Br4 Re2 C10 Si1 95.5(5) . . . . ?
C9 C10 C11 C12 1.5(9) . . . . ?
Si1 C10 C11 C12 176.6(6) . . . . ?
Re2 C10 C11 C12 -64.1(5) . . . . ?
C9 C10 C11 Re2 65.6(5) . . . . ?
Si1 C10 C11 Re2 -119.3(6) . . . . ?
C19 Re2 C11 C12 -29.3(8) . . . . ?
C18 Re2 C11 C12 -161.0(5) . . . . ?
C13 Re2 C11 C12 38.1(5) . . . . ?
C10 Re2 C11 C12 116.2(7) . . . . ?
C9 Re2 C11 C12 79.0(5) . . . . ?
Br3 Re2 C11 C12 107.3(5) . . . . ?
Br4 Re2 C11 C12 -90.1(5) . . . . ?
C19 Re2 C11 C10 -145.5(5) . . . . ?
C18 Re2 C11 C10 82.7(6) . . . . ?
C12 Re2 C11 C10 -116.2(7) . . . . ?
C13 Re2 C11 C10 -78.2(5) . . . . ?
C9 Re2 C11 C10 -37.2(5) . . . . ?
Br3 Re2 C11 C10 -8.9(7) . . . . ?
Br4 Re2 C11 C10 153.7(5) . . . . ?
C10 C11 C12 C13 -0.3(9) . . . . ?
Re2 C11 C12 C13 -67.9(6) . . . . ?
C10 C11 C12 Re2 67.6(6) . . . . ?
C19 Re2 C12 C13 -85.4(5) . . . . ?
C18 Re2 C12 C13 145.3(6) . . . . ?
C11 Re2 C12 C13 114.3(8) . . . . ?
C10 Re2 C12 C13 76.8(5) . . . . ?
C9 Re2 C12 C13 36.6(5) . . . . ?
Br3 Re2 C12 C13 1.0(6) . . . . ?
Br4 Re2 C12 C13 -161.6(5) . . . . ?
C19 Re2 C12 C11 160.3(5) . . . . ?
C18 Re2 C12 C11 31.0(8) . . . . ?
C13 Re2 C12 C11 -114.3(8) . . . . ?
C10 Re2 C12 C11 -37.4(5) . . . . ?
C9 Re2 C12 C11 -77.7(5) . . . . ?
Br3 Re2 C12 C11 -113.3(5) . . . . ?
Br4 Re2 C12 C11 84.2(5) . . . . ?
C11 C12 C13 C9 -1.0(9) . . . . ?
Re2 C12 C13 C9 -65.7(6) . . . . ?
C11 C12 C13 Re2 64.7(5) . . . . ?
C10 C9 C13 C12 2.0(9) . . . . ?
C6 C9 C13 C12 -167.6(7) . . . . ?
Re2 C9 C13 C12 60.7(5) . . . . ?
C10 C9 C13 Re2 -58.7(5) . . . . ?
C6 C9 C13 Re2 131.8(7) . . . . ?
C19 Re2 C13 C12 101.6(5) . . . . ?
C18 Re2 C13 C12 -102.4(10) . . . . ?
C11 Re2 C13 C12 -39.8(5) . . . . ?
C10 Re2 C13 C12 -82.2(5) . . . . ?
C9 Re2 C13 C12 -117.0(7) . . . . ?
Br3 Re2 C13 C12 -179.3(5) . . . . ?
Br4 Re2 C13 C12 20.6(5) . . . . ?
C19 Re2 C13 C9 -141.4(5) . . . . ?
C18 Re2 C13 C9 14.5(12) . . . . ?
C12 Re2 C13 C9 117.0(7) . . . . ?
C11 Re2 C13 C9 77.2(5) . . . . ?
C10 Re2 C13 C9 34.8(5) . . . . ?
Br3 Re2 C13 C9 -62.3(5) . . . . ?
Br4 Re2 C13 C9 137.5(4) . . . . ?
C17 Re1 C16 O1 -168(15) . . . . ?
C1 Re1 C16 O1 53(15) . . . . ?
C2 Re1 C16 O1 44(15) . . . . ?
C5 Re1 C16 O1 -26(15) . . . . ?
C4 Re1 C16 O1 -21(15) . . . . ?
C3 Re1 C16 O1 11(15) . . . . ?
Br1 Re1 C16 O1 -93(15) . . . . ?
Br2 Re1 C16 O1 117(15) . . . . ?
C16 Re1 C17 O2 -178(100) . . . . ?
C1 Re1 C17 O2 -18(14) . . . . ?
C2 Re1 C17 O2 -43(15) . . . . ?
C5 Re1 C17 O2 21(14) . . . . ?
C4 Re1 C17 O2 46(15) . . . . ?
C3 Re1 C17 O2 6(15) . . . . ?
Br1 Re1 C17 O2 107(14) . . . . ?
Br2 Re1 C17 O2 -103(14) . . . . ?
C19 Re2 C18 O3 163(35) . . . . ?
C12 Re2 C18 O3 -67(35) . . . . ?
C11 Re2 C18 O3 -47(35) . . . . ?
C13 Re2 C18 O3 8(36) . . . . ?
C10 Re2 C18 O3 -10(35) . . . . ?
C9 Re2 C18 O3 18(35) . . . . ?
Br3 Re2 C18 O3 88(35) . . . . ?
Br4 Re2 C18 O3 -122(35) . . . . ?
C18 Re2 C19 O4 -172(10) . . . . ?
C12 Re2 C19 O4 36(10) . . . . ?
C11 Re2 C19 O4 54(10) . . . . ?
C13 Re2 C19 O4 -1(10) . . . . ?
C10 Re2 C19 O4 -9(11) . . . . ?
C9 Re2 C19 O4 -26(10) . . . . ?
Br3 Re2 C19 O4 -98(10) . . . . ?
Br4 Re2 C19 O4 115(10) . . . . ?
C34 Si2 C20 C21 146.3(6) . . . . ?
C33 Si2 C20 C21 -87.2(7) . . . . ?
C29 Si2 C20 C21 26.3(7) . . . . ?
C34 Si2 C20 C24 -20.0(8) . . . . ?
C33 Si2 C20 C24 106.5(7) . . . . ?
C29 Si2 C20 C24 -140.0(7) . . . . ?
C34 Si2 C20 Re3 -117.3(5) . . . . ?
C33 Si2 C20 Re3 9.1(7) . . . . ?
C29 Si2 C20 Re3 122.6(5) . . . . ?
C36 Re3 C20 C21 94.8(5) . . . . ?
C35 Re3 C20 C21 -126.6(6) . . . . ?
C24 Re3 C20 C21 -114.6(7) . . . . ?
C22 Re3 C20 C21 -37.0(4) . . . . ?
C23 Re3 C20 C21 -78.2(5) . . . . ?
Br5 Re3 C20 C21 10.4(5) . . . . ?
Br6 Re3 C20 C21 170.7(4) . . . . ?
C36 Re3 C20 C24 -150.6(5) . . . . ?
C35 Re3 C20 C24 -12.1(8) . . . . ?
C21 Re3 C20 C24 114.6(7) . . . . ?
C22 Re3 C20 C24 77.5(5) . . . . ?
C23 Re3 C20 C24 36.4(5) . . . . ?
Br5 Re3 C20 C24 125.0(4) . . . . ?
Br6 Re3 C20 C24 -74.8(4) . . . . ?
C36 Re3 C20 Si2 -25.7(6) . . . . ?
C35 Re3 C20 Si2 112.9(6) . . . . ?
C24 Re3 C20 Si2 125.0(8) . . . . ?
C21 Re3 C20 Si2 -120.5(8) . . . . ?
C22 Re3 C20 Si2 -157.5(7) . . . . ?
C23 Re3 C20 Si2 161.4(7) . . . . ?
Br5 Re3 C20 Si2 -110.1(5) . . . . ?
Br6 Re3 C20 Si2 50.2(5) . . . . ?
C24 C20 C21 C22 -2.8(8) . . . . ?
Si2 C20 C21 C22 -171.5(5) . . . . ?
Re3 C20 C21 C22 62.3(5) . . . . ?
C24 C20 C21 C25 166.1(7) . . . . ?
Si2 C20 C21 C25 -2.7(11) . . . . ?
Re3 C20 C21 C25 -128.9(7) . . . . ?
C24 C20 C21 Re3 -65.1(5) . . . . ?
Si2 C20 C21 Re3 126.2(6) . . . . ?
C36 Re3 C21 C20 -94.5(5) . . . . ?
C35 Re3 C21 C20 117.1(7) . . . . ?
C24 Re3 C21 C20 39.3(5) . . . . ?
C22 Re3 C21 C20 117.3(7) . . . . ?
C23 Re3 C21 C20 80.7(5) . . . . ?
Br5 Re3 C21 C20 -171.8(4) . . . . ?
Br6 Re3 C21 C20 -11.2(5) . . . . ?
C36 Re3 C21 C22 148.2(5) . . . . ?
C35 Re3 C21 C22 -0.2(9) . . . . ?
C20 Re3 C21 C22 -117.3(7) . . . . ?
C24 Re3 C21 C22 -77.9(5) . . . . ?
C23 Re3 C21 C22 -36.5(5) . . . . ?
Br5 Re3 C21 C22 70.9(4) . . . . ?
Br6 Re3 C21 C22 -128.5(4) . . . . ?
C36 Re3 C21 C25 25.3(8) . . . . ?
C35 Re3 C21 C25 -123.1(8) . . . . ?
C20 Re3 C21 C25 119.8(9) . . . . ?
C24 Re3 C21 C25 159.2(9) . . . . ?
C22 Re3 C21 C25 -122.9(10) . . . . ?
C23 Re3 C21 C25 -159.5(9) . . . . ?
Br5 Re3 C21 C25 -52.0(7) . . . . ?
Br6 Re3 C21 C25 108.6(7) . . . . ?
C20 C21 C22 C23 2.7(8) . . . . ?
C25 C21 C22 C23 -166.1(7) . . . . ?
Re3 C21 C22 C23 63.1(5) . . . . ?
C20 C21 C22 Re3 -60.5(5) . . . . ?
C25 C21 C22 Re3 130.8(7) . . . . ?
C36 Re3 C22 C23 -162.1(5) . . . . ?
C35 Re3 C22 C23 62.2(6) . . . . ?
C20 Re3 C22 C23 -80.4(5) . . . . ?
C24 Re3 C22 C23 -37.0(5) . . . . ?
C21 Re3 C22 C23 -117.7(7) . . . . ?
Br5 Re3 C22 C23 135.8(5) . . . . ?
Br6 Re3 C22 C23 -35.4(6) . . . . ?
C36 Re3 C22 C21 -44.4(7) . . . . ?
C35 Re3 C22 C21 179.9(5) . . . . ?
C20 Re3 C22 C21 37.3(5) . . . . ?
C24 Re3 C22 C21 80.7(5) . . . . ?
C23 Re3 C22 C21 117.7(7) . . . . ?
Br5 Re3 C22 C21 -106.5(5) . . . . ?
Br6 Re3 C22 C21 82.3(5) . . . . ?
C21 C22 C23 C24 -1.5(9) . . . . ?
Re3 C22 C23 C24 61.2(5) . . . . ?
C21 C22 C23 Re3 -62.7(5) . . . . ?
C36 Re3 C23 C24 -63.4(14) . . . . ?
C35 Re3 C23 C24 117.2(5) . . . . ?
C20 Re3 C23 C24 -38.1(5) . . . . ?
C21 Re3 C23 C24 -80.1(5) . . . . ?
C22 Re3 C23 C24 -117.2(7) . . . . ?
Br5 Re3 C23 C24 -162.9(4) . . . . ?
Br6 Re3 C23 C24 39.3(5) . . . . ?
C36 Re3 C23 C22 53.8(14) . . . . ?
C35 Re3 C23 C22 -125.6(5) . . . . ?
C20 Re3 C23 C22 79.1(5) . . . . ?
C24 Re3 C23 C22 117.2(7) . . . . ?
C21 Re3 C23 C22 37.1(5) . . . . ?
Br5 Re3 C23 C22 -45.7(5) . . . . ?
Br6 Re3 C23 C22 156.5(4) . . . . ?
C22 C23 C24 C20 -0.3(9) . . . . ?
Re3 C23 C24 C20 62.1(5) . . . . ?
C22 C23 C24 Re3 -62.4(5) . . . . ?
C21 C20 C24 C23 1.9(8) . . . . ?
Si2 C20 C24 C23 170.0(6) . . . . ?
Re3 C20 C24 C23 -64.5(5) . . . . ?
C21 C20 C24 Re3 66.5(5) . . . . ?
Si2 C20 C24 Re3 -125.5(6) . . . . ?
C36 Re3 C24 C23 159.5(5) . . . . ?
C35 Re3 C24 C23 -69.8(6) . . . . ?
C20 Re3 C24 C23 117.3(7) . . . . ?
C21 Re3 C24 C23 79.0(5) . . . . ?
C22 Re3 C24 C23 37.0(5) . . . . ?
Br5 Re3 C24 C23 26.0(6) . . . . ?
Br6 Re3 C24 C23 -141.9(5) . . . . ?
C36 Re3 C24 C20 42.2(7) . . . . ?
C35 Re3 C24 C20 172.9(5) . . . . ?
C21 Re3 C24 C20 -38.3(5) . . . . ?
C22 Re3 C24 C20 -80.3(5) . . . . ?
C23 Re3 C24 C20 -117.3(7) . . . . ?
Br5 Re3 C24 C20 -91.3(5) . . . . ?
Br6 Re3 C24 C20 100.8(5) . . . . ?
C20 C21 C25 C27 -157.6(7) . . . . ?
C22 C21 C25 C27 9.2(10) . . . . ?
Re3 C21 C25 C27 108.3(7) . . . . ?
C20 C21 C25 C28 -31.9(10) . . . . ?
C22 C21 C25 C28 134.9(8) . . . . ?
Re3 C21 C25 C28 -126.0(7) . . . . ?
C20 C21 C25 C26 82.9(9) . . . . ?
C22 C21 C25 C26 -110.3(8) . . . . ?
Re3 C21 C25 C26 -11.3(11) . . . . ?
C27 C25 C28 C32 -31.7(10) . . . . ?
C21 C25 C28 C32 -155.5(7) . . . . ?
C26 C25 C28 C32 84.2(9) . . . . ?
C27 C25 C28 C29 162.5(7) . . . . ?
C21 C25 C28 C29 38.7(10) . . . . ?
C26 C25 C28 C29 -81.5(9) . . . . ?
C27 C25 C28 Re4 66.0(10) . . . . ?
C21 C25 C28 Re4 -57.8(10) . . . . ?
C26 C25 C28 Re4 -178.1(7) . . . . ?
C37 Re4 C28 C32 51.6(6) . . . . ?
C38 Re4 C28 C32 -172.3(5) . . . . ?
C31 Re4 C28 C32 -37.6(5) . . . . ?
C30 Re4 C28 C32 -81.7(5) . . . . ?
C29 Re4 C28 C32 -120.7(7) . . . . ?
Br7 Re4 C28 C32 121.4(5) . . . . ?
Br8 Re4 C28 C32 -59.7(6) . . . . ?
C37 Re4 C28 C29 172.3(5) . . . . ?
C38 Re4 C28 C29 -51.6(6) . . . . ?
C31 Re4 C28 C29 83.2(5) . . . . ?
C30 Re4 C28 C29 39.1(5) . . . . ?
C32 Re4 C28 C29 120.7(7) . . . . ?
Br7 Re4 C28 C29 -117.9(4) . . . . ?
Br8 Re4 C28 C29 61.1(5) . . . . ?
C37 Re4 C28 C25 -68.6(9) . . . . ?
C38 Re4 C28 C25 67.5(9) . . . . ?
C31 Re4 C28 C25 -157.7(9) . . . . ?
C30 Re4 C28 C25 158.2(9) . . . . ?
C32 Re4 C28 C25 -120.2(10) . . . . ?
C29 Re4 C28 C25 119.1(10) . . . . ?
Br7 Re4 C28 C25 1.2(8) . . . . ?
Br8 Re4 C28 C25 -179.8(6) . . . . ?
C32 C28 C29 C30 -1.6(9) . . . . ?
C25 C28 C29 C30 166.1(7) . . . . ?
Re4 C28 C29 C30 -60.6(5) . . . . ?
C32 C28 C29 Si2 -178.2(6) . . . . ?
C25 C28 C29 Si2 -10.6(11) . . . . ?
Re4 C28 C29 Si2 122.7(6) . . . . ?
C32 C28 C29 Re4 59.0(5) . . . . ?
C25 C28 C29 Re4 -133.3(7) . . . . ?
C34 Si2 C29 C30 49.3(9) . . . . ?
C33 Si2 C29 C30 -74.9(8) . . . . ?
C20 Si2 C29 C30 164.3(7) . . . . ?
C34 Si2 C29 C28 -135.0(7) . . . . ?
C33 Si2 C29 C28 100.8(7) . . . . ?
C20 Si2 C29 C28 -20.0(7) . . . . ?
C34 Si2 C29 Re4 -40.8(6) . . . . ?
C33 Si2 C29 Re4 -164.9(5) . . . . ?
C20 Si2 C29 Re4 74.3(5) . . . . ?
C37 Re4 C29 C30 97.3(9) . . . . ?
C38 Re4 C29 C30 -105.3(5) . . . . ?
C31 Re4 C29 C30 39.1(5) . . . . ?
C32 Re4 C29 C30 80.3(5) . . . . ?
C28 Re4 C29 C30 114.6(7) . . . . ?
Br7 Re4 C29 C30 177.2(4) . . . . ?
Br8 Re4 C29 C30 -25.6(5) . . . . ?
C37 Re4 C29 C28 -17.3(10) . . . . ?
C38 Re4 C29 C28 140.0(5) . . . . ?
C31 Re4 C29 C28 -75.6(5) . . . . ?
C30 Re4 C29 C28 -114.6(7) . . . . ?
C32 Re4 C29 C28 -34.3(4) . . . . ?
Br7 Re4 C29 C28 62.6(4) . . . . ?
Br8 Re4 C29 C28 -140.2(4) . . . . ?
C37 Re4 C29 Si2 -137.4(7) . . . . ?
C38 Re4 C29 Si2 19.9(6) . . . . ?
C31 Re4 C29 Si2 164.3(6) . . . . ?
C30 Re4 C29 Si2 125.2(8) . . . . ?
C32 Re4 C29 Si2 -154.4(6) . . . . ?
C28 Re4 C29 Si2 -120.1(7) . . . . ?
Br7 Re4 C29 Si2 -57.5(5) . . . . ?
Br8 Re4 C29 Si2 99.6(5) . . . . ?
C28 C29 C30 C31 1.2(8) . . . . ?
Si2 C29 C30 C31 177.4(6) . . . . ?
Re4 C29 C30 C31 -64.1(5) . . . . ?
C28 C29 C30 Re4 65.2(5) . . . . ?
Si2 C29 C30 Re4 -118.5(7) . . . . ?
C37 Re4 C30 C31 -28.7(8) . . . . ?
C38 Re4 C30 C31 -160.6(5) . . . . ?
C32 Re4 C30 C31 37.1(5) . . . . ?
C29 Re4 C30 C31 115.2(7) . . . . ?
C28 Re4 C30 C31 77.2(5) . . . . ?
Br7 Re4 C30 C31 111.2(4) . . . . ?
Br8 Re4 C30 C31 -88.3(4) . . . . ?
C37 Re4 C30 C29 -143.9(5) . . . . ?
C38 Re4 C30 C29 84.2(5) . . . . ?
C31 Re4 C30 C29 -115.2(7) . . . . ?
C32 Re4 C30 C29 -78.1(5) . . . . ?
C28 Re4 C30 C29 -38.0(5) . . . . ?
Br7 Re4 C30 C29 -4.0(6) . . . . ?
Br8 Re4 C30 C29 156.6(5) . . . . ?
C29 C30 C31 C32 -0.3(9) . . . . ?
Re4 C30 C31 C32 -67.5(6) . . . . ?
C29 C30 C31 Re4 67.2(5) . . . . ?
C37 Re4 C31 C32 -82.6(5) . . . . ?
C38 Re4 C31 C32 147.1(5) . . . . ?
C30 Re4 C31 C32 115.9(7) . . . . ?
C29 Re4 C31 C32 77.8(5) . . . . ?
C28 Re4 C31 C32 36.3(5) . . . . ?
Br7 Re4 C31 C32 5.3(6) . . . . ?
Br8 Re4 C31 C32 -158.3(5) . . . . ?
C37 Re4 C31 C30 161.5(5) . . . . ?
C38 Re4 C31 C30 31.2(7) . . . . ?
C32 Re4 C31 C30 -115.9(7) . . . . ?
C29 Re4 C31 C30 -38.1(5) . . . . ?
C28 Re4 C31 C30 -79.6(5) . . . . ?
Br7 Re4 C31 C30 -110.6(5) . . . . ?
Br8 Re4 C31 C30 85.8(5) . . . . ?
C30 C31 C32 C28 -0.7(9) . . . . ?
Re4 C31 C32 C28 -65.0(6) . . . . ?
C30 C31 C32 Re4 64.3(5) . . . . ?
C29 C28 C32 C31 1.4(9) . . . . ?
C25 C28 C32 C31 -166.2(7) . . . . ?
Re4 C28 C32 C31 60.3(5) . . . . ?
C29 C28 C32 Re4 -58.8(5) . . . . ?
C25 C28 C32 Re4 133.6(7) . . . . ?
C37 Re4 C32 C31 105.0(5) . . . . ?
C38 Re4 C32 C31 -98.3(10) . . . . ?
C30 Re4 C32 C31 -39.0(5) . . . . ?
C29 Re4 C32 C31 -81.5(5) . . . . ?
C28 Re4 C32 C31 -116.9(7) . . . . ?
Br7 Re4 C32 C31 -176.3(4) . . . . ?
Br8 Re4 C32 C31 23.8(5) . . . . ?
C37 Re4 C32 C28 -138.1(5) . . . . ?
C38 Re4 C32 C28 18.7(12) . . . . ?
C31 Re4 C32 C28 116.9(7) . . . . ?
C30 Re4 C32 C28 77.9(5) . . . . ?
C29 Re4 C32 C28 35.5(5) . . . . ?
Br7 Re4 C32 C28 -59.4(5) . . . . ?
Br8 Re4 C32 C28 140.7(4) . . . . ?
C36 Re3 C35 O5 160(7) . . . . ?
C20 Re3 C35 O5 22(7) . . . . ?
C24 Re3 C35 O5 14(7) . . . . ?
C21 Re3 C35 O5 -51(7) . . . . ?
C22 Re3 C35 O5 -51(7) . . . . ?
C23 Re3 C35 O5 -20(7) . . . . ?
Br5 Re3 C35 O5 -125(7) . . . . ?
Br6 Re3 C35 O5 87(7) . . . . ?
C35 Re3 C36 O6 174(100) . . . . ?
C20 Re3 C36 O6 -28(22) . . . . ?
C24 Re3 C36 O6 -53(22) . . . . ?
C21 Re3 C36 O6 10(22) . . . . ?
C22 Re3 C36 O6 35(22) . . . . ?
C23 Re3 C36 O6 -5(23) . . . . ?
Br5 Re3 C36 O6 98(22) . . . . ?
Br6 Re3 C36 O6 -112(22) . . . . ?
C38 Re4 C37 O7 155(20) . . . . ?
C31 Re4 C37 O7 3(20) . . . . ?
C30 Re4 C37 O7 21(20) . . . . ?
C32 Re4 C37 O7 -33(20) . . . . ?
C29 Re4 C37 O7 -48(20) . . . . ?
C28 Re4 C37 O7 -60(20) . . . . ?
Br7 Re4 C37 O7 -132(20) . . . . ?
Br8 Re4 C37 O7 81(20) . . . . ?
C37 Re4 C38 O8 -161(23) . . . . ?
C31 Re4 C38 O8 -29(24) . . . . ?
C30 Re4 C38 O8 -10(23) . . . . ?
C32 Re4 C38 O8 42(24) . . . . ?
C29 Re4 C38 O8 28(23) . . . . ?
C28 Re4 C38 O8 55(24) . . . . ?
Br7 Re4 C38 O8 125(23) . . . . ?
Br8 Re4 C38 O8 -85(23) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.720
_refine_diff_density_min         -1.880
_refine_diff_density_rms         0.256
_database_code_depnum_ccdc_archive 'CCDC 1017447'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n131216b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        11
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C76 H72 Br2.80 Cl5.20 O20 Re8 Si8'
_chemical_formula_weight         3427.74

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'
Si Si 0.0817 0.0704 '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'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.548(3)
_cell_length_b                   14.211(3)
_cell_length_c                   13.564(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.388(4)
_cell_angle_gamma                90.00
_cell_volume                     2396.9(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4786
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      28.21

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    2.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1586
_exptl_absorpt_coefficient_mu    11.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1406
_exptl_absorpt_correction_T_max  0.3636
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13693
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_av_unetI/netI     0.0616
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.64
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4235
_reflns_number_gt                3535
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0455P)²+3.3068P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4235
_refine_ls_number_parameters     278
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_ref         0.0979
_refine_ls_wR_factor_gt          0.0919
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.19509(2) 0.47349(2) 0.44240(3) 0.02833(12) Uani 1 1 d D . .
Re2 Re 0.38445(3) 0.56453(2) 0.11301(3) 0.03281(13) Uani 1 1 d . A .
Si1 Si 0.17026(19) 0.62501(16) 0.2061(2) 0.0341(6) Uani 1 1 d . . .
Si2 Si 0.24539(18) 0.38267(15) 0.20677(19) 0.0292(5) Uani 1 1 d . . .
Br1 Br 0.0926(7) 0.6209(3) 0.4601(9) 0.0484(9) Uani 0.70 1 d PD A 1
Cl1 Cl 0.089(4) 0.607(2) 0.465(6) 0.0484(9) Uani 0.30 1 d PD A 2
Cl2 Cl 0.19355(17) 0.29932(13) 0.45234(17) 0.0351(5) Uani 1 1 d . A .
O1 O -0.0393(6) 0.4263(6) 0.2941(7) 0.068(2) Uani 1 1 d . . .
O2 O 0.2054(7) 0.4419(7) 0.6715(7) 0.079(3) Uani 1 1 d . . .
O3 O 0.4821(6) 0.6560(5) 0.3350(6) 0.0593(19) Uani 1 1 d . A .
O4 O 0.5772(7) 0.4300(7) 0.1908(9) 0.095(3) Uani 1 1 d . A .
O5 O 0.5025(8) 0.6999(7) 0.0228(7) 0.104(4) Uani 1 1 d . A .
C1 C 0.2811(6) 0.4574(5) 0.3306(7) 0.0263(18) Uani 1 1 d . A .
C2 C 0.3562(7) 0.4374(6) 0.4391(7) 0.036(2) Uani 1 1 d . A .
H2 H 0.3876 0.3790 0.4632 0.043 Uiso 1 1 calc R . .
C3 C 0.3747(7) 0.5184(6) 0.5026(8) 0.037(2) Uani 1 1 d . A .
H3 H 0.4215 0.5240 0.5743 0.044 Uiso 1 1 calc R . .
C4 C 0.3096(7) 0.5896(6) 0.4375(7) 0.034(2) Uani 1 1 d . A .
H4 H 0.3059 0.6506 0.4605 0.041 Uiso 1 1 calc R . .
C5 C 0.2485(7) 0.5556(5) 0.3296(7) 0.0301(19) Uani 1 1 d . A .
C6 C 0.2129(10) 0.7504(6) 0.2353(10) 0.068(3) Uani 1 1 d . A .
H6A H 0.1965 0.7836 0.1690 0.102 Uiso 1 1 calc R . .
H6B H 0.2889 0.7531 0.2775 0.102 Uiso 1 1 calc R . .
H6C H 0.1752 0.7790 0.2744 0.102 Uiso 1 1 calc R . .
C7 C 0.0214(8) 0.6122(8) 0.1570(9) 0.058(3) Uani 1 1 d . A .
H7A H -0.0022 0.6361 0.2102 0.087 Uiso 1 1 calc R . .
H7B H 0.0024 0.5469 0.1441 0.087 Uiso 1 1 calc R . .
H7C H -0.0126 0.6470 0.0915 0.087 Uiso 1 1 calc R . .
C8 C 0.2114(6) 0.5693(6) 0.1018(7) 0.0318(19) Uani 1 1 d . A .
C9 C 0.2423(6) 0.4717(6) 0.1035(7) 0.0280(18) Uani 1 1 d . A .
C10 C 0.2611(7) 0.4564(6) 0.0068(7) 0.035(2) Uani 1 1 d . . .
H10 H 0.2814 0.3997 -0.0136 0.041 Uiso 1 1 calc R A .
C11 C 0.2438(7) 0.5403(7) -0.0505(7) 0.039(2) Uani 1 1 d . A .
H11 H 0.2519 0.5496 -0.1147 0.047 Uiso 1 1 calc R . .
C12 C 0.2114(7) 0.6095(6) 0.0070(7) 0.039(2) Uani 1 1 d . . .
H12 H 0.1932 0.6714 -0.0147 0.047 Uiso 1 1 calc R A .
C13 C 0.1116(7) 0.3248(6) 0.1608(8) 0.045(2) Uani 1 1 d . A .
H13A H 0.1022 0.2843 0.1011 0.067 Uiso 1 1 calc R . .
H13B H 0.0562 0.3720 0.1391 0.067 Uiso 1 1 calc R . .
H13C H 0.1072 0.2884 0.2185 0.067 Uiso 1 1 calc R . .
C14 C 0.3543(9) 0.2945(7) 0.2328(9) 0.059(3) Uani 1 1 d . A .
H14A H 0.3533 0.2719 0.1657 0.088 Uiso 1 1 calc R . .
H14B H 0.3433 0.2427 0.2728 0.088 Uiso 1 1 calc R . .
H14C H 0.4226 0.3232 0.2734 0.088 Uiso 1 1 calc R . .
C15 C 0.0466(7) 0.4427(6) 0.3512(8) 0.039(2) Uani 1 1 d . A .
C16 C 0.1974(8) 0.4531(7) 0.5866(8) 0.048(2) Uani 1 1 d . A .
C17 C 0.4463(7) 0.6234(6) 0.2514(8) 0.037(2) Uani 1 1 d . . .
C18 C 0.5046(9) 0.4820(8) 0.1599(9) 0.054(3) Uani 1 1 d . . .
C19 C 0.4607(9) 0.6504(9) 0.0585(8) 0.061(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C15 1.947(9) . ?
Re1 C16 1.965(10) . ?
Re1 C2 2.260(8) . ?
Re1 C5 2.260(8) . ?
Re1 C1 2.262(7) . ?
Re1 C4 2.283(8) . ?
Re1 C3 2.328(9) . ?
Re1 Cl1 2.472(10) . ?
Re1 Cl2 2.479(2) . ?
Re1 Br1 2.576(2) . ?
Re2 C18 1.899(11) . ?
Re2 C17 1.918(10) . ?
Re2 C19 1.926(10) . ?
Re2 C8 2.290(8) . ?
Re2 C9 2.296(8) . ?
Re2 C12 2.301(9) . ?
Re2 C11 2.305(9) . ?
Re2 C10 2.306(8) . ?
Si1 C7 1.864(10) . ?
Si1 C6 1.867(10) . ?
Si1 C5 1.869(9) . ?
Si1 C8 1.888(9) . ?
Si2 C13 1.858(9) . ?
Si2 C14 1.860(9) . ?
Si2 C9 1.875(8) . ?
Si2 C1 1.881(8) . ?
O1 C15 1.138(11) . ?
O2 C16 1.124(12) . ?
O3 C17 1.139(11) . ?
O4 C18 1.168(13) . ?
O5 C19 1.125(11) . ?
C1 C2 1.446(12) . ?
C1 C5 1.462(11) . ?
C2 C3 1.400(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.401(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.449(12) . ?
C4 H4 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C12 1.407(12) . ?
C8 C9 1.446(11) . ?
C9 C10 1.448(12) . ?
C10 C11 1.391(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.429(13) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?

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
C15 Re1 C16 101.8(4) . . ?
C15 Re1 C2 134.3(4) . . ?
C16 Re1 C2 110.6(4) . . ?
C15 Re1 C5 102.3(4) . . ?
C16 Re1 C5 150.1(4) . . ?
C2 Re1 C5 62.1(3) . . ?
C15 Re1 C1 103.2(3) . . ?
C16 Re1 C1 147.5(4) . . ?
C2 Re1 C1 37.3(3) . . ?
C5 Re1 C1 37.7(3) . . ?
C15 Re1 C4 133.3(4) . . ?
C16 Re1 C4 113.1(4) . . ?
C2 Re1 C4 59.4(3) . . ?
C5 Re1 C4 37.2(3) . . ?
C1 Re1 C4 61.1(3) . . ?
C15 Re1 C3 163.1(3) . . ?
C16 Re1 C3 95.2(4) . . ?
C2 Re1 C3 35.5(3) . . ?
C5 Re1 C3 61.6(3) . . ?
C1 Re1 C3 61.2(3) . . ?
C4 Re1 C3 35.4(3) . . ?
C15 Re1 Cl1 75.3(16) . . ?
C16 Re1 Cl1 76.6(15) . . ?
C2 Re1 Cl1 142.3(12) . . ?
C5 Re1 Cl1 92.8(12) . . ?
C1 Re1 Cl1 130.0(13) . . ?
C4 Re1 Cl1 83.4(12) . . ?
C3 Re1 Cl1 108.9(14) . . ?
C15 Re1 Cl2 77.4(3) . . ?
C16 Re1 Cl2 78.2(3) . . ?
C2 Re1 Cl2 78.6(2) . . ?
C5 Re1 Cl2 124.3(2) . . ?
C1 Re1 Cl2 87.3(2) . . ?
C4 Re1 Cl2 138.0(2) . . ?
C3 Re1 Cl2 106.6(2) . . ?
Cl1 Re1 Cl2 137.8(11) . . ?
C15 Re1 Br1 77.5(4) . . ?
C16 Re1 Br1 79.9(4) . . ?
C2 Re1 Br1 138.3(3) . . ?
C5 Re1 Br1 88.4(3) . . ?
C1 Re1 Br1 125.8(3) . . ?
C4 Re1 Br1 79.2(3) . . ?
C3 Re1 Br1 105.7(3) . . ?
Cl1 Re1 Br1 4.5(12) . . ?
Cl2 Re1 Br1 142.22(16) . . ?
C18 Re2 C17 87.6(4) . . ?
C18 Re2 C19 90.0(5) . . ?
C17 Re2 C19 90.4(4) . . ?
C18 Re2 C8 139.4(4) . . ?
C17 Re2 C8 95.2(3) . . ?
C19 Re2 C8 130.3(4) . . ?
C18 Re2 C9 104.6(4) . . ?
C17 Re2 C9 109.7(3) . . ?
C19 Re2 C9 155.3(4) . . ?
C8 Re2 C9 36.8(3) . . ?
C18 Re2 C12 154.9(4) . . ?
C17 Re2 C12 115.6(3) . . ?
C19 Re2 C12 98.8(4) . . ?
C8 Re2 C12 35.7(3) . . ?
C9 Re2 C12 60.0(3) . . ?
C18 Re2 C11 120.1(4) . . ?
C17 Re2 C11 151.7(3) . . ?
C19 Re2 C11 95.2(4) . . ?
C8 Re2 C11 60.4(3) . . ?
C9 Re2 C11 60.3(3) . . ?
C12 Re2 C11 36.1(3) . . ?
C18 Re2 C10 96.3(4) . . ?
C17 Re2 C10 146.0(3) . . ?
C19 Re2 C10 123.3(4) . . ?
C8 Re2 C10 60.6(3) . . ?
C9 Re2 C10 36.7(3) . . ?
C12 Re2 C10 59.3(3) . . ?
C11 Re2 C10 35.1(3) . . ?
C7 Si1 C6 111.6(5) . . ?
C7 Si1 C5 114.6(4) . . ?
C6 Si1 C5 107.2(5) . . ?
C7 Si1 C8 106.9(4) . . ?
C6 Si1 C8 113.7(4) . . ?
C5 Si1 C8 102.6(4) . . ?
C13 Si2 C14 111.1(5) . . ?
C13 Si2 C9 108.6(4) . . ?
C14 Si2 C9 112.2(4) . . ?
C13 Si2 C1 114.8(4) . . ?
C14 Si2 C1 107.9(4) . . ?
C9 Si2 C1 102.0(3) . . ?
C2 C1 C5 106.6(7) . . ?
C2 C1 Si2 128.7(6) . . ?
C5 C1 Si2 124.1(6) . . ?
C2 C1 Re1 71.3(5) . . ?
C5 C1 Re1 71.1(4) . . ?
Si2 C1 Re1 129.6(4) . . ?
C3 C2 C1 110.2(7) . . ?
C3 C2 Re1 74.9(5) . . ?
C1 C2 Re1 71.4(4) . . ?
C3 C2 H2 124.9 . . ?
C1 C2 H2 124.9 . . ?
Re1 C2 H2 120.4 . . ?
C2 C3 C4 107.0(8) . . ?
C2 C3 Re1 69.6(5) . . ?
C4 C3 Re1 70.6(5) . . ?
C2 C3 H3 126.5 . . ?
C4 C3 H3 126.5 . . ?
Re1 C3 H3 124.9 . . ?
C3 C4 C5 111.1(8) . . ?
C3 C4 Re1 74.1(5) . . ?
C5 C4 Re1 70.5(5) . . ?
C3 C4 H4 124.4 . . ?
C5 C4 H4 124.4 . . ?
Re1 C4 H4 122.5 . . ?
C4 C5 C1 105.0(7) . . ?
C4 C5 Si1 128.5(6) . . ?
C1 C5 Si1 125.0(7) . . ?
C4 C5 Re1 72.3(5) . . ?
C1 C5 Re1 71.2(4) . . ?
Si1 C5 Re1 131.2(4) . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C12 C8 C9 107.4(8) . . ?
C12 C8 Si1 128.4(6) . . ?
C9 C8 Si1 124.1(6) . . ?
C12 C8 Re2 72.6(5) . . ?
C9 C8 Re2 71.8(4) . . ?
Si1 C8 Re2 124.2(4) . . ?
C8 C9 C10 106.4(7) . . ?
C8 C9 Si2 125.4(6) . . ?
C10 C9 Si2 128.0(6) . . ?
C8 C9 Re2 71.4(4) . . ?
C10 C9 Re2 72.1(4) . . ?
Si2 C9 Re2 125.2(4) . . ?
C11 C10 C9 109.1(8) . . ?
C11 C10 Re2 72.4(5) . . ?
C9 C10 Re2 71.3(4) . . ?
C11 C10 H10 125.5 . . ?
C9 C10 H10 125.5 . . ?
Re2 C10 H10 122.5 . . ?
C10 C11 C12 107.7(8) . . ?
C10 C11 Re2 72.5(5) . . ?
C12 C11 Re2 71.8(5) . . ?
C10 C11 H11 126.1 . . ?
C12 C11 H11 126.1 . . ?
Re2 C11 H11 121.4 . . ?
C8 C12 C11 109.3(8) . . ?
C8 C12 Re2 71.7(5) . . ?
C11 C12 Re2 72.1(5) . . ?
C8 C12 H12 125.3 . . ?
C11 C12 H12 125.3 . . ?
Re2 C12 H12 122.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 Re1 176.9(9) . . ?
O2 C16 Re1 175.8(10) . . ?
O3 C17 Re2 177.9(8) . . ?
O4 C18 Re2 177.9(11) . . ?
O5 C19 Re2 177.3(10) . . ?

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
C13 Si2 C1 C2 105.6(8) . . . . ?
C14 Si2 C1 C2 -19.0(9) . . . . ?
C9 Si2 C1 C2 -137.3(7) . . . . ?
C13 Si2 C1 C5 -84.9(7) . . . . ?
C14 Si2 C1 C5 150.6(7) . . . . ?
C9 Si2 C1 C5 32.3(7) . . . . ?
C13 Si2 C1 Re1 8.1(7) . . . . ?
C14 Si2 C1 Re1 -116.4(6) . . . . ?
C9 Si2 C1 Re1 125.3(5) . . . . ?
C15 Re1 C1 C2 -151.1(5) . . . . ?
C16 Re1 C1 C2 -11.8(9) . . . . ?
C5 Re1 C1 C2 115.7(7) . . . . ?
C4 Re1 C1 C2 76.4(5) . . . . ?
C3 Re1 C1 C2 35.8(5) . . . . ?
Cl1 Re1 C1 C2 127(2) . . . . ?
Cl2 Re1 C1 C2 -74.7(5) . . . . ?
Br1 Re1 C1 C2 125.0(5) . . . . ?
C15 Re1 C1 C5 93.2(5) . . . . ?
C16 Re1 C1 C5 -127.5(7) . . . . ?
C2 Re1 C1 C5 -115.7(7) . . . . ?
C4 Re1 C1 C5 -39.3(5) . . . . ?
C3 Re1 C1 C5 -79.9(5) . . . . ?
Cl1 Re1 C1 C5 11(2) . . . . ?
Cl2 Re1 C1 C5 169.5(5) . . . . ?
Br1 Re1 C1 C5 9.2(6) . . . . ?
C15 Re1 C1 Si2 -25.9(6) . . . . ?
C16 Re1 C1 Si2 113.4(7) . . . . ?
C2 Re1 C1 Si2 125.2(8) . . . . ?
C5 Re1 C1 Si2 -119.0(8) . . . . ?
C4 Re1 C1 Si2 -158.4(6) . . . . ?
C3 Re1 C1 Si2 161.1(6) . . . . ?
Cl1 Re1 C1 Si2 -108(2) . . . . ?
Cl2 Re1 C1 Si2 50.5(5) . . . . ?
Br1 Re1 C1 Si2 -109.8(5) . . . . ?
C5 C1 C2 C3 -2.6(9) . . . . ?
Si2 C1 C2 C3 168.4(6) . . . . ?
Re1 C1 C2 C3 -65.4(6) . . . . ?
C5 C1 C2 Re1 62.7(5) . . . . ?
Si2 C1 C2 Re1 -126.2(6) . . . . ?
C15 Re1 C2 C3 159.1(6) . . . . ?
C16 Re1 C2 C3 -68.8(6) . . . . ?
C5 Re1 C2 C3 79.4(5) . . . . ?
C1 Re1 C2 C3 118.0(7) . . . . ?
C4 Re1 C2 C3 36.6(5) . . . . ?
Cl1 Re1 C2 C3 26(3) . . . . ?
Cl2 Re1 C2 C3 -141.4(5) . . . . ?
Br1 Re1 C2 C3 29.3(8) . . . . ?
C15 Re1 C2 C1 41.1(7) . . . . ?
C16 Re1 C2 C1 173.3(5) . . . . ?
C5 Re1 C2 C1 -38.6(5) . . . . ?
C4 Re1 C2 C1 -81.4(5) . . . . ?
C3 Re1 C2 C1 -118.0(7) . . . . ?
Cl1 Re1 C2 C1 -92(3) . . . . ?
Cl2 Re1 C2 C1 100.6(5) . . . . ?
Br1 Re1 C2 C1 -88.7(6) . . . . ?
C1 C2 C3 C4 2.2(9) . . . . ?
Re1 C2 C3 C4 -61.0(6) . . . . ?
C1 C2 C3 Re1 63.2(6) . . . . ?
C15 Re1 C3 C2 -61.5(13) . . . . ?
C16 Re1 C3 C2 118.9(6) . . . . ?
C5 Re1 C3 C2 -80.9(5) . . . . ?
C1 Re1 C3 C2 -37.7(5) . . . . ?
C4 Re1 C3 C2 -117.5(8) . . . . ?
Cl1 Re1 C3 C2 -163.6(16) . . . . ?
Cl2 Re1 C3 C2 39.6(5) . . . . ?
Br1 Re1 C3 C2 -160.3(5) . . . . ?
C15 Re1 C3 C4 55.9(14) . . . . ?
C16 Re1 C3 C4 -123.7(6) . . . . ?
C2 Re1 C3 C4 117.5(8) . . . . ?
C5 Re1 C3 C4 36.6(5) . . . . ?
C1 Re1 C3 C4 79.8(5) . . . . ?
Cl1 Re1 C3 C4 -46.1(16) . . . . ?
Cl2 Re1 C3 C4 157.1(4) . . . . ?
Br1 Re1 C3 C4 -42.8(6) . . . . ?
C2 C3 C4 C5 -0.8(9) . . . . ?
Re1 C3 C4 C5 -61.2(6) . . . . ?
C2 C3 C4 Re1 60.4(6) . . . . ?
C15 Re1 C4 C3 -160.7(5) . . . . ?
C16 Re1 C4 C3 64.3(6) . . . . ?
C2 Re1 C4 C3 -36.8(5) . . . . ?
C5 Re1 C4 C3 -119.9(7) . . . . ?
C1 Re1 C4 C3 -80.0(5) . . . . ?
Cl1 Re1 C4 C3 136.7(17) . . . . ?
Cl2 Re1 C4 C3 -33.9(6) . . . . ?
Br1 Re1 C4 C3 138.3(6) . . . . ?
C15 Re1 C4 C5 -40.8(7) . . . . ?
C16 Re1 C4 C5 -175.8(5) . . . . ?
C2 Re1 C4 C5 83.1(5) . . . . ?
C1 Re1 C4 C5 39.9(5) . . . . ?
C3 Re1 C4 C5 119.9(7) . . . . ?
Cl1 Re1 C4 C5 -103.4(17) . . . . ?
Cl2 Re1 C4 C5 86.0(5) . . . . ?
Br1 Re1 C4 C5 -101.9(5) . . . . ?
C3 C4 C5 C1 -0.8(9) . . . . ?
Re1 C4 C5 C1 -64.1(5) . . . . ?
C3 C4 C5 Si1 -167.6(6) . . . . ?
Re1 C4 C5 Si1 129.0(7) . . . . ?
C3 C4 C5 Re1 63.4(6) . . . . ?
C2 C1 C5 C4 2.0(8) . . . . ?
Si2 C1 C5 C4 -169.5(5) . . . . ?
Re1 C1 C5 C4 64.9(5) . . . . ?
C2 C1 C5 Si1 169.4(6) . . . . ?
Si2 C1 C5 Si1 -2.1(10) . . . . ?
Re1 C1 C5 Si1 -127.7(6) . . . . ?
C2 C1 C5 Re1 -62.9(5) . . . . ?
Si2 C1 C5 Re1 125.6(6) . . . . ?
C7 Si1 C5 C4 -109.4(8) . . . . ?
C6 Si1 C5 C4 15.1(9) . . . . ?
C8 Si1 C5 C4 135.1(7) . . . . ?
C7 Si1 C5 C1 86.2(8) . . . . ?
C6 Si1 C5 C1 -149.3(7) . . . . ?
C8 Si1 C5 C1 -29.3(7) . . . . ?
C7 Si1 C5 Re1 -9.0(7) . . . . ?
C6 Si1 C5 Re1 115.5(6) . . . . ?
C8 Si1 C5 Re1 -124.5(5) . . . . ?
C15 Re1 C5 C4 150.9(5) . . . . ?
C16 Re1 C5 C4 7.8(9) . . . . ?
C2 Re1 C5 C4 -75.2(5) . . . . ?
C1 Re1 C5 C4 -113.4(7) . . . . ?
C3 Re1 C5 C4 -34.8(5) . . . . ?
Cl1 Re1 C5 C4 75.3(17) . . . . ?
Cl2 Re1 C5 C4 -126.1(4) . . . . ?
Br1 Re1 C5 C4 74.1(5) . . . . ?
C15 Re1 C5 C1 -95.7(5) . . . . ?
C16 Re1 C5 C1 121.2(8) . . . . ?
C2 Re1 C5 C1 38.2(5) . . . . ?
C4 Re1 C5 C1 113.4(7) . . . . ?
C3 Re1 C5 C1 78.6(5) . . . . ?
Cl1 Re1 C5 C1 -171.3(17) . . . . ?
Cl2 Re1 C5 C1 -12.7(6) . . . . ?
Br1 Re1 C5 C1 -172.5(5) . . . . ?
C15 Re1 C5 Si1 24.8(6) . . . . ?
C16 Re1 C5 Si1 -118.3(8) . . . . ?
C2 Re1 C5 Si1 158.7(7) . . . . ?
C1 Re1 C5 Si1 120.5(8) . . . . ?
C4 Re1 C5 Si1 -126.1(8) . . . . ?
C3 Re1 C5 Si1 -160.9(7) . . . . ?
Cl1 Re1 C5 Si1 -50.8(17) . . . . ?
Cl2 Re1 C5 Si1 107.8(5) . . . . ?
Br1 Re1 C5 Si1 -52.0(6) . . . . ?
C7 Si1 C8 C12 84.3(9) . . . . ?
C6 Si1 C8 C12 -39.3(10) . . . . ?
C5 Si1 C8 C12 -154.7(8) . . . . ?
C7 Si1 C8 C9 -91.1(8) . . . . ?
C6 Si1 C8 C9 145.3(7) . . . . ?
C5 Si1 C8 C9 29.9(8) . . . . ?
C7 Si1 C8 Re2 178.7(5) . . . . ?
C6 Si1 C8 Re2 55.1(7) . . . . ?
C5 Si1 C8 Re2 -60.3(5) . . . . ?
C18 Re2 C8 C12 -139.6(7) . . . . ?
C17 Re2 C8 C12 128.0(6) . . . . ?
C19 Re2 C8 C12 33.1(7) . . . . ?
C9 Re2 C8 C12 -115.6(8) . . . . ?
C11 Re2 C8 C12 -36.7(5) . . . . ?
C10 Re2 C8 C12 -77.2(6) . . . . ?
C18 Re2 C8 C9 -24.0(8) . . . . ?
C17 Re2 C8 C9 -116.3(5) . . . . ?
C19 Re2 C8 C9 148.8(6) . . . . ?
C12 Re2 C8 C9 115.6(8) . . . . ?
C11 Re2 C8 C9 79.0(5) . . . . ?
C10 Re2 C8 C9 38.4(5) . . . . ?
C18 Re2 C8 Si1 95.4(7) . . . . ?
C17 Re2 C8 Si1 3.0(5) . . . . ?
C19 Re2 C8 Si1 -91.9(6) . . . . ?
C9 Re2 C8 Si1 119.3(7) . . . . ?
C12 Re2 C8 Si1 -125.0(8) . . . . ?
C11 Re2 C8 Si1 -161.7(6) . . . . ?
C10 Re2 C8 Si1 157.7(6) . . . . ?
C12 C8 C9 C10 0.4(9) . . . . ?
Si1 C8 C9 C10 176.6(6) . . . . ?
Re2 C8 C9 C10 -64.0(5) . . . . ?
C12 C8 C9 Si2 -175.2(6) . . . . ?
Si1 C8 C9 Si2 1.0(10) . . . . ?
Re2 C8 C9 Si2 120.5(6) . . . . ?
C12 C8 C9 Re2 64.4(6) . . . . ?
Si1 C8 C9 Re2 -119.4(6) . . . . ?
C13 Si2 C9 C8 89.7(8) . . . . ?
C14 Si2 C9 C8 -147.1(7) . . . . ?
C1 Si2 C9 C8 -31.9(8) . . . . ?
C13 Si2 C9 C10 -84.8(8) . . . . ?
C14 Si2 C9 C10 38.4(9) . . . . ?
C1 Si2 C9 C10 153.5(7) . . . . ?
C13 Si2 C9 Re2 -179.0(5) . . . . ?
C14 Si2 C9 Re2 -55.8(6) . . . . ?
C1 Si2 C9 Re2 59.4(5) . . . . ?
C18 Re2 C9 C8 164.1(6) . . . . ?
C17 Re2 C9 C8 71.5(6) . . . . ?
C19 Re2 C9 C8 -71.2(11) . . . . ?
C12 Re2 C9 C8 -37.4(5) . . . . ?
C11 Re2 C9 C8 -79.3(6) . . . . ?
C10 Re2 C9 C8 -115.0(7) . . . . ?
C18 Re2 C9 C10 -80.8(6) . . . . ?
C17 Re2 C9 C10 -173.5(5) . . . . ?
C19 Re2 C9 C10 43.8(12) . . . . ?
C8 Re2 C9 C10 115.0(7) . . . . ?
C12 Re2 C9 C10 77.6(6) . . . . ?
C11 Re2 C9 C10 35.8(5) . . . . ?
C18 Re2 C9 Si2 43.4(6) . . . . ?
C17 Re2 C9 Si2 -49.2(6) . . . . ?
C19 Re2 C9 Si2 168.1(9) . . . . ?
C8 Re2 C9 Si2 -120.7(7) . . . . ?
C12 Re2 C9 Si2 -158.1(6) . . . . ?
C11 Re2 C9 Si2 160.0(6) . . . . ?
C10 Re2 C9 Si2 124.3(8) . . . . ?
C8 C9 C10 C11 0.6(9) . . . . ?
Si2 C9 C10 C11 176.0(6) . . . . ?
Re2 C9 C10 C11 -62.9(6) . . . . ?
C8 C9 C10 Re2 63.6(5) . . . . ?
Si2 C9 C10 Re2 -121.0(6) . . . . ?
C18 Re2 C10 C11 -136.0(6) . . . . ?
C17 Re2 C10 C11 128.9(7) . . . . ?
C19 Re2 C10 C11 -41.7(7) . . . . ?
C8 Re2 C10 C11 79.5(6) . . . . ?
C9 Re2 C10 C11 118.0(7) . . . . ?
C12 Re2 C10 C11 38.0(5) . . . . ?
C18 Re2 C10 C9 106.0(6) . . . . ?
C17 Re2 C10 C9 10.9(9) . . . . ?
C19 Re2 C10 C9 -159.8(6) . . . . ?
C8 Re2 C10 C9 -38.5(5) . . . . ?
C12 Re2 C10 C9 -80.0(5) . . . . ?
C11 Re2 C10 C9 -118.0(7) . . . . ?
C9 C10 C11 C12 -1.4(10) . . . . ?
Re2 C10 C11 C12 -63.6(6) . . . . ?
C9 C10 C11 Re2 62.2(6) . . . . ?
C18 Re2 C11 C10 53.0(7) . . . . ?
C17 Re2 C11 C10 -113.5(8) . . . . ?
C19 Re2 C11 C10 146.0(6) . . . . ?
C8 Re2 C11 C10 -79.9(5) . . . . ?
C9 Re2 C11 C10 -37.4(5) . . . . ?
C12 Re2 C11 C10 -116.1(7) . . . . ?
C18 Re2 C11 C12 169.1(5) . . . . ?
C17 Re2 C11 C12 2.6(10) . . . . ?
C19 Re2 C11 C12 -97.9(6) . . . . ?
C8 Re2 C11 C12 36.2(5) . . . . ?
C9 Re2 C11 C12 78.8(5) . . . . ?
C10 Re2 C11 C12 116.1(7) . . . . ?
C9 C8 C12 C11 -1.2(10) . . . . ?
Si1 C8 C12 C11 -177.2(6) . . . . ?
Re2 C8 C12 C11 62.7(6) . . . . ?
C9 C8 C12 Re2 -63.8(6) . . . . ?
Si1 C8 C12 Re2 120.2(7) . . . . ?
C10 C11 C12 C8 1.6(10) . . . . ?
Re2 C11 C12 C8 -62.4(6) . . . . ?
C10 C11 C12 Re2 64.0(6) . . . . ?
C18 Re2 C12 C8 95.5(10) . . . . ?
C17 Re2 C12 C8 -60.4(6) . . . . ?
C19 Re2 C12 C8 -155.1(6) . . . . ?
C9 Re2 C12 C8 38.5(5) . . . . ?
C11 Re2 C12 C8 118.2(7) . . . . ?
C10 Re2 C12 C8 81.3(5) . . . . ?
C18 Re2 C12 C11 -22.8(11) . . . . ?
C17 Re2 C12 C11 -178.6(5) . . . . ?
C19 Re2 C12 C11 86.7(6) . . . . ?
C8 Re2 C12 C11 -118.2(7) . . . . ?
C9 Re2 C12 C11 -79.7(5) . . . . ?
C10 Re2 C12 C11 -36.9(5) . . . . ?
C16 Re1 C15 O1 171(17) . . . . ?
C2 Re1 C15 O1 -54(17) . . . . ?
C5 Re1 C15 O1 8(17) . . . . ?
C1 Re1 C15 O1 -30(17) . . . . ?
C4 Re1 C15 O1 32(17) . . . . ?
C3 Re1 C15 O1 -9(17) . . . . ?
Cl1 Re1 C15 O1 98(17) . . . . ?
Cl2 Re1 C15 O1 -114(17) . . . . ?
Br1 Re1 C15 O1 94(17) . . . . ?
C15 Re1 C16 O2 169(14) . . . . ?
C2 Re1 C16 O2 21(14) . . . . ?
C5 Re1 C16 O2 -48(14) . . . . ?
C1 Re1 C16 O2 29(14) . . . . ?
C4 Re1 C16 O2 -43(14) . . . . ?
C3 Re1 C16 O2 -12(14) . . . . ?
Cl1 Re1 C16 O2 -120(14) . . . . ?
Cl2 Re1 C16 O2 94(14) . . . . ?
Br1 Re1 C16 O2 -117(14) . . . . ?
C18 Re2 C17 O3 -75(24) . . . . ?
C19 Re2 C17 O3 -165(24) . . . . ?
C8 Re2 C17 O3 64(24) . . . . ?
C9 Re2 C17 O3 30(24) . . . . ?
C12 Re2 C17 O3 95(24) . . . . ?
C11 Re2 C17 O3 93(24) . . . . ?
C10 Re2 C17 O3 23(24) . . . . ?
C17 Re2 C18 O4 70(31) . . . . ?
C19 Re2 C18 O4 161(31) . . . . ?
C8 Re2 C18 O4 -25(31) . . . . ?
C9 Re2 C18 O4 -39(31) . . . . ?
C12 Re2 C18 O4 -88(31) . . . . ?
C11 Re2 C18 O4 -103(31) . . . . ?
C10 Re2 C18 O4 -76(31) . . . . ?
C18 Re2 C19 O5 114(27) . . . . ?
C17 Re2 C19 O5 -158(27) . . . . ?
C8 Re2 C19 O5 -61(27) . . . . ?
C9 Re2 C19 O5 -13(27) . . . . ?
C12 Re2 C19 O5 -42(27) . . . . ?
C11 Re2 C19 O5 -6(27) . . . . ?
C10 Re2 C19 O5 17(27) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.731
_refine_diff_density_min         -1.866
_refine_diff_density_rms         0.205
_database_code_depnum_ccdc_archive 'CCDC 1017448'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n131010c

_audit_creation_method           SHELXL-97
_chemical_name_systematic        12
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H40 Cl4 F12 O10 Re4 Si4'
_chemical_formula_weight         2051.80

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'
F F 0.0171 0.0103 '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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4162(14)
_cell_length_b                   12.443(2)
_cell_length_c                   16.137(3)
_cell_angle_alpha                77.437(3)
_cell_angle_beta                 78.046(3)
_cell_angle_gamma                78.139(3)
_cell_volume                     1590.8(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3396
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.78

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.142
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             964
_exptl_absorpt_coefficient_mu    7.916
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.3299
_exptl_absorpt_correction_T_max  0.3831
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8765
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0588
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5546
_reflns_number_gt                4310
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
TITL N131010C in P-1
CELL 0.71073   8.4162  12.4430  16.1373  77.437  78.046  78.139
ZERR    1.00   0.0014   0.0022   0.0028   0.003   0.003   0.003
LATT 1
SFAC C  H  O  F  Cl Si Re
UNIT 52 40 10 12 4 4 4
OMIT    -2   2   0
OMIT    -2  -1   1
OMIT     2   1   0
OMIT     2   2   0
OMIT     1   0  17
OMIT     2   1   2
OMIT    -3  -1   1
OMIT     1   1   2
OMIT     5   0   1
OMIT    -1   1   0
OMIT     2   2   2
OMIT     1   1   1
OMIT     1   2  16
OMIT     1   1   0
OMIT    -2   0  14
OMIT    -1   1   2
OMIT    -1   3   1
OMIT     2   2  19
OMIT     1   5   0
OMIT     1  -3   2
OMIT     4   6   6
OMIT    -7  -2   8
OMIT     1  -4   1
OMIT     0  -1   2
OMIT     2   6  18
OMIT    -1   3   2
OMIT     0   1   6
OMIT     0  -1  17
OMIT     3   5   0
OMIT    -5 -10   6
OMIT     3   7   5
OMIT  -3.00  50.02
L.S. 8
ACTA
BOND  $H
FMAP 2
PLAN 20
ISOR 0.005 C26 CL1 CL2
SIZE 0.18 0.17 0.15
HTAB
CONF
TEMP -100
WGHT    0.065000   14.116700
FVAR       0.09752
RE1   7    0.223766    0.274860    0.072971    11.00000    0.01891    0.02226 =
         0.04083   -0.01330   -0.00931    0.00380
RE2   7    0.266820    0.388899    0.423883    11.00000    0.03187    0.03722 =
         0.04181   -0.01196   -0.01535   -0.00285
SI1   6    0.159675    0.500485    0.201599    11.00000    0.01697    0.02197 =
         0.04064   -0.01118   -0.00868    0.00041
SI2   6    0.500304    0.273678    0.223745    11.00000    0.01804    0.02459 =
         0.04666   -0.00914   -0.01063    0.00254
CL1   5    0.778059    0.073300    0.645971    11.00000    0.15879    0.14882 =
         0.16695   -0.00632   -0.05956   -0.02964
CL2   5    0.698582    0.093198    0.474446    11.00000    0.19747    0.19261 =
         0.19117   -0.03234   -0.04157   -0.02704
F1    4   -0.093653    0.163618    0.061450    11.00000    0.03656    0.05114 =
         0.09525   -0.02445   -0.01856   -0.01258
F2    4   -0.185517    0.094003   -0.061771    11.00000    0.07726    0.03732 =
         0.17022   -0.04197   -0.08496    0.00832
F3    4    0.026009    0.078208   -0.216022    11.00000    0.16335    0.06718 =
         0.12865   -0.05406   -0.10595    0.02166
F4    4    0.335347    0.141024   -0.241117    11.00000    0.12597    0.04855 =
         0.05186   -0.03296   -0.01970    0.02774
F5    4    0.425576    0.208391   -0.116889    11.00000    0.05683    0.04468 =
         0.06314   -0.02635   -0.00071    0.00710
F6    4    0.000744    0.360872    0.052501    11.00000    0.02212    0.02594 =
         0.04635   -0.01406   -0.01390    0.00808
O1    3    0.419816    0.034496    0.095309    11.00000    0.04982    0.02814 =
         0.07121   -0.01816   -0.02923    0.01189
O2    3    0.031747    0.174830    0.247256    11.00000    0.03730    0.04965 =
         0.04639   -0.00282   -0.00094   -0.01402
O3    3    0.202477    0.347227    0.621748    11.00000    0.11357    0.10046 =
         0.02797   -0.01635   -0.01886   -0.00432
O4    3    0.174987    0.641596    0.421535    11.00000    0.07878    0.04388 =
         0.06773   -0.02365   -0.02127   -0.00286
O5    3    0.619965    0.402145    0.429058    11.00000    0.02714    0.18158 =
         0.10934   -0.07751   -0.01954   -0.00069
C1    1    0.281920    0.429413    0.111373    11.00000    0.02035    0.01215 =
         0.04133   -0.00406   -0.00505   -0.00594
C2    1    0.273481    0.461885    0.021579    11.00000    0.01722    0.02936 =
         0.04199   -0.01564   -0.00601    0.00154
AFIX  43
H2    2    0.198543    0.522816   -0.002686    11.00000   -1.20000
AFIX   0
C3    1    0.392669    0.390294   -0.025902    11.00000    0.03024    0.03499 =
         0.03514   -0.00561   -0.00602   -0.00418
AFIX  43
H3    2    0.410450    0.393758   -0.086444    11.00000   -1.20000
AFIX   0
C4    1    0.481066    0.312036    0.033986    11.00000    0.01303    0.03718 =
         0.05407   -0.00908   -0.00283   -0.00258
AFIX  43
H4    2    0.568121    0.253938    0.019041    11.00000   -1.20000
AFIX   0
C5    1    0.420802    0.332792    0.120172    11.00000    0.01150    0.02234 =
         0.03790   -0.00452   -0.00303    0.00234
C6    1    0.255370    0.623341    0.203943    11.00000    0.03065    0.02961 =
         0.05990   -0.01157   -0.01165   -0.01182
AFIX 137
H6A   2    0.179347    0.671241    0.240917    11.00000   -1.50000
H6B   2    0.278098    0.666092    0.145401    11.00000   -1.50000
H6C   2    0.358573    0.596765    0.226734    11.00000   -1.50000
AFIX   0
C7    1   -0.055730    0.548174    0.182624    11.00000    0.02408    0.03129 =
         0.04242   -0.01422   -0.00923    0.00285
AFIX 137
H7A   2   -0.101888    0.484277    0.177351    11.00000   -1.50000
H7B   2   -0.057378    0.603845    0.129378    11.00000   -1.50000
H7C   2   -0.121720    0.581594    0.231120    11.00000   -1.50000
AFIX   0
C8    1    0.173758    0.387962    0.298355    11.00000    0.02315    0.02368 =
         0.03594   -0.01089   -0.00670   -0.00171
C9    1    0.310362    0.296512    0.308743    11.00000    0.02438    0.02045 =
         0.04973   -0.01222   -0.01361    0.00304
C10   1    0.262324    0.220847    0.386396    11.00000    0.04684    0.02160 =
         0.05253    0.00006   -0.02234   -0.00518
AFIX  43
H10   2    0.329092    0.153703    0.408616    11.00000   -1.20000
AFIX   0
C11   1    0.103533    0.260535    0.424186    11.00000    0.03373    0.03628 =
         0.04857   -0.00143   -0.00254   -0.01470
AFIX  43
H11   2    0.044199    0.225610    0.476338    11.00000   -1.20000
AFIX   0
C12   1    0.045331    0.361373    0.372077    11.00000    0.02640    0.03567 =
         0.04614   -0.01743   -0.00922   -0.00416
AFIX  43
H12   2   -0.060723    0.405250    0.383084    11.00000   -1.20000
AFIX   0
C13   1    0.662139    0.353030    0.224352    11.00000    0.02788    0.03983 =
         0.06113   -0.01636   -0.01200   -0.00643
AFIX 137
H13A  2    0.709252    0.324445    0.277171    11.00000   -1.50000
H13B  2    0.614389    0.432179    0.222054    11.00000   -1.50000
H13C  2    0.748880    0.344684    0.174153    11.00000   -1.50000
AFIX   0
C14   1    0.583447    0.122596    0.235144    11.00000    0.03593    0.03498 =
         0.07044   -0.01248   -0.01731    0.00629
AFIX 137
H14A  2    0.656319    0.107458    0.181664    11.00000   -1.50000
H14B  2    0.492325    0.080481    0.246916    11.00000   -1.50000
H14C  2    0.645759    0.099784    0.282894    11.00000   -1.50000
AFIX   0
C15   1    0.347922    0.123484    0.088143    11.00000    0.02735    0.02520 =
         0.04853   -0.01192   -0.01608   -0.00471
C16   1    0.100874    0.210235    0.182131    11.00000    0.01701    0.03245 =
         0.05900   -0.02271   -0.02017    0.00500
C17   1    0.229907    0.364011    0.548106    11.00000    0.06351    0.05134 =
         0.06355   -0.01830   -0.02372    0.00559
C18   1    0.210692    0.544887    0.423611    11.00000    0.03170    0.05631 =
         0.02470   -0.00134   -0.00485   -0.01222
C19   1    0.488993    0.395222    0.427082    11.00000    0.04210    0.08828 =
         0.07899   -0.05314   -0.01101   -0.00187
C20   1    0.166931    0.193736   -0.022693    11.00000    0.04513    0.03263 =
         0.04693    0.00028   -0.03087    0.00054
C21   1    0.017790    0.161687   -0.012017    11.00000    0.05182    0.02496 =
         0.08175   -0.01537   -0.03601    0.00880
C22   1   -0.034489    0.125169   -0.076070    11.00000    0.07209    0.03614 =
         0.09454   -0.02351   -0.05809    0.00957
C23   1    0.081636    0.116176   -0.155086    11.00000    0.12839    0.03073 =
         0.08669   -0.03954   -0.07615    0.02579
C24   1    0.233459    0.143653   -0.166669    11.00000    0.08785    0.03558 =
         0.06276   -0.02669   -0.04190    0.01816
C25   1    0.273490    0.180433   -0.100758    11.00000    0.05312    0.03056 =
         0.06475   -0.02421   -0.02627    0.01923
C26   1    0.628157    0.130326    0.572435    11.00000    0.13048    0.12654 =
         0.12670   -0.01979   -0.02105   -0.01629
AFIX  23
H26A  2    0.523320    0.102576    0.597940    11.00000   -1.20000
H26B  2    0.605711    0.212800    0.565338    11.00000   -1.20000
HKLF 4
 
REM  N131010C in P-1
REM R1 =  0.0525 for   4310 Fo > 4sig(Fo)  and  0.0711 for all   5546 data
REM    392 parameters refined using     18 restraints
 
END  
     
WGHT      0.0656     14.6841 
REM Highest difference peak  3.270,  deepest hole -2.308,  1-sigma level  0.230
Q1    1   0.3182  0.3898  0.3682  11.00000  0.05    3.27
Q2    1   0.2097  0.2781  0.0192  11.00000  0.05    2.87
Q3    1   0.2181  0.3497  0.0697  11.00000  0.05    2.54
Q4    1   0.2323  0.1998  0.0795  11.00000  0.05    2.32
Q5    1   0.2541  0.4616  0.4140  11.00000  0.05    2.15
Q6    1   0.2982  0.3108  0.4204  11.00000  0.05    1.98
Q7    1   0.1969  0.2769  0.1360  11.00000  0.05    1.93
Q8    1   0.5214  0.0940  0.5582  11.00000  0.05    1.57
Q9    1   0.3169  0.2602  0.0818  11.00000  0.05    1.54
Q10   1   0.3069  0.3836  0.4839  11.00000  0.05    1.35
Q11   1   0.2478  0.1832  0.1318  11.00000  0.05    1.32
Q12   1   0.7112  0.1098  0.7017  11.00000  0.05    1.11
Q13   1   0.3871  0.3680  0.4339  11.00000  0.05    1.08
Q14   1   0.1577  0.3797  0.4977  11.00000  0.05    1.04
Q15   1   0.1698  0.4025  0.4142  11.00000  0.05    1.03
Q16   1   0.3272  0.1825  0.5162  11.00000  0.05    0.96
Q17   1   0.1179  0.4230  0.0620  11.00000  0.05    0.85
Q18   1  -0.1830  0.0821 -0.1396  11.00000  0.05    0.82
Q19   1   0.3018  0.0153  0.4156  11.00000  0.05    0.80
Q20   1   0.1832  0.3026  0.3039  11.00000  0.05    0.71

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0650P)²+14.1167P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5546
_refine_ls_number_parameters     392
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0525
_refine_ls_wR_factor_ref         0.1349
_refine_ls_wR_factor_gt          0.1250
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.22377(5) 0.27486(4) 0.07297(3) 0.02660(16) Uani 1 1 d . . .
Re2 Re 0.26682(6) 0.38890(4) 0.42388(3) 0.03531(17) Uani 1 1 d . . .
Si1 Si 0.1597(3) 0.5005(2) 0.2016(2) 0.0256(7) Uani 1 1 d . . .
Si2 Si 0.5003(3) 0.2737(3) 0.2237(2) 0.0295(7) Uani 1 1 d . . .
Cl1 Cl 0.7781(11) 0.0733(8) 0.6460(6) 0.156(3) Uani 1 1 d U . .
Cl2 Cl 0.6986(14) 0.0932(10) 0.4744(7) 0.194(4) Uani 1 1 d U . .
F1 F -0.0937(9) 0.1636(7) 0.0615(6) 0.057(2) Uani 1 1 d . . .
F2 F -0.1855(12) 0.0940(7) -0.0618(8) 0.084(4) Uani 1 1 d . . .
F3 F 0.0260(16) 0.0782(9) -0.2160(8) 0.108(5) Uani 1 1 d . . .
F4 F 0.3353(14) 0.1410(7) -0.2411(6) 0.077(3) Uani 1 1 d . . .
F5 F 0.4256(10) 0.2084(6) -0.1169(5) 0.056(2) Uani 1 1 d . . .
F6 F 0.0007(7) 0.3609(5) 0.0525(4) 0.0309(15) Uani 1 1 d . . .
O1 O 0.4198(11) 0.0345(7) 0.0953(6) 0.048(2) Uani 1 1 d . . .
O2 O 0.0317(11) 0.1748(8) 0.2473(6) 0.045(2) Uani 1 1 d . . .
O3 O 0.2025(17) 0.3472(11) 0.6217(7) 0.081(4) Uani 1 1 d . . .
O4 O 0.1750(14) 0.6416(9) 0.4215(7) 0.061(3) Uani 1 1 d . . .
O5 O 0.6200(13) 0.4021(14) 0.4291(9) 0.099(5) Uani 1 1 d . . .
C1 C 0.2819(12) 0.4294(8) 0.1114(8) 0.024(2) Uani 1 1 d . . .
C2 C 0.2735(12) 0.4619(9) 0.0216(8) 0.029(3) Uani 1 1 d . . .
H2 H 0.1985 0.5228 -0.0027 0.035 Uiso 1 1 calc R . .
C3 C 0.3927(14) 0.3903(10) -0.0259(8) 0.034(3) Uani 1 1 d . . .
H3 H 0.4105 0.3938 -0.0864 0.040 Uiso 1 1 calc R . .
C4 C 0.4811(13) 0.3120(10) 0.0340(9) 0.035(3) Uani 1 1 d . . .
H4 H 0.5681 0.2539 0.0190 0.042 Uiso 1 1 calc R . .
C5 C 0.4208(12) 0.3328(9) 0.1202(7) 0.025(2) Uani 1 1 d . . .
C6 C 0.2554(14) 0.6233(10) 0.2039(9) 0.038(3) Uani 1 1 d . . .
H6A H 0.1793 0.6712 0.2409 0.057 Uiso 1 1 calc R . .
H6B H 0.2781 0.6661 0.1454 0.057 Uiso 1 1 calc R . .
H6C H 0.3586 0.5968 0.2267 0.057 Uiso 1 1 calc R . .
C7 C -0.0557(13) 0.5482(10) 0.1826(8) 0.032(3) Uani 1 1 d . . .
H7A H -0.1019 0.4843 0.1774 0.048 Uiso 1 1 calc R . .
H7B H -0.0574 0.6038 0.1294 0.048 Uiso 1 1 calc R . .
H7C H -0.1217 0.5816 0.2311 0.048 Uiso 1 1 calc R . .
C8 C 0.1738(13) 0.3880(9) 0.2984(7) 0.027(2) Uani 1 1 d . . .
C9 C 0.3104(13) 0.2965(9) 0.3087(8) 0.031(3) Uani 1 1 d . . .
C10 C 0.2623(16) 0.2208(10) 0.3864(9) 0.039(3) Uani 1 1 d . . .
H10 H 0.3291 0.1537 0.4086 0.047 Uiso 1 1 calc R . .
C11 C 0.1035(15) 0.2605(10) 0.4242(9) 0.040(3) Uani 1 1 d . . .
H11 H 0.0442 0.2256 0.4763 0.048 Uiso 1 1 calc R . .
C12 C 0.0453(14) 0.3614(10) 0.3721(8) 0.034(3) Uani 1 1 d . . .
H12 H -0.0607 0.4052 0.3831 0.041 Uiso 1 1 calc R . .
C13 C 0.6621(14) 0.3530(11) 0.2244(9) 0.041(3) Uani 1 1 d . . .
H13A H 0.7093 0.3244 0.2772 0.062 Uiso 1 1 calc R . .
H13B H 0.6144 0.4322 0.2221 0.062 Uiso 1 1 calc R . .
H13C H 0.7489 0.3447 0.1742 0.062 Uiso 1 1 calc R . .
C14 C 0.5834(16) 0.1226(11) 0.2351(10) 0.047(4) Uani 1 1 d . . .
H14A H 0.6563 0.1075 0.1817 0.071 Uiso 1 1 calc R . .
H14B H 0.4923 0.0805 0.2469 0.071 Uiso 1 1 calc R . .
H14C H 0.6458 0.0998 0.2829 0.071 Uiso 1 1 calc R . .
C15 C 0.3479(13) 0.1235(9) 0.0881(8) 0.031(3) Uani 1 1 d . . .
C16 C 0.1009(13) 0.2102(10) 0.1821(9) 0.033(3) Uani 1 1 d . . .
C17 C 0.2299(19) 0.3640(13) 0.5481(12) 0.059(4) Uani 1 1 d . . .
C18 C 0.2107(15) 0.5449(12) 0.4236(8) 0.038(3) Uani 1 1 d . . .
C19 C 0.4890(19) 0.3952(15) 0.4271(11) 0.065(5) Uani 1 1 d . . .
C20 C 0.1669(16) 0.1937(10) -0.0227(9) 0.040(3) Uani 1 1 d . . .
C21 C 0.0178(18) 0.1617(10) -0.0120(11) 0.051(4) Uani 1 1 d . . .
C22 C -0.034(2) 0.1252(12) -0.0761(12) 0.062(5) Uani 1 1 d . . .
C23 C 0.082(3) 0.1162(12) -0.1551(13) 0.075(6) Uani 1 1 d . . .
C24 C 0.233(2) 0.1437(12) -0.1667(11) 0.059(4) Uani 1 1 d . . .
C25 C 0.2735(18) 0.1804(11) -0.1008(10) 0.049(4) Uani 1 1 d . . .
C26 C 0.628(3) 0.130(2) 0.5724(17) 0.129(9) Uani 1 1 d U . .
H26A H 0.5233 0.1026 0.5979 0.155 Uiso 1 1 calc R . .
H26B H 0.6057 0.2128 0.5653 0.155 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C16 1.947(15) . ?
Re1 C15 1.948(11) . ?
Re1 F6 2.014(5) . ?
Re1 C20 2.194(13) . ?
Re1 C4 2.241(11) . ?
Re1 C5 2.259(11) . ?
Re1 C1 2.314(10) . ?
Re1 C3 2.352(12) . ?
Re1 C2 2.387(11) . ?
Re2 C19 1.899(16) . ?
Re2 C18 1.900(15) . ?
Re2 C17 1.929(18) . ?
Re2 C12 2.307(11) . ?
Re2 C10 2.309(12) . ?
Re2 C11 2.310(12) . ?
Re2 C9 2.320(12) . ?
Re2 C8 2.321(11) . ?
Si1 C7 1.855(11) . ?
Si1 C8 1.863(12) . ?
Si1 C1 1.878(12) . ?
Si1 C6 1.879(11) . ?
Si2 C13 1.842(12) . ?
Si2 C14 1.849(12) . ?
Si2 C5 1.873(11) . ?
Si2 C9 1.895(12) . ?
Cl1 C26 1.84(3) . ?
Cl2 C26 1.70(3) . ?
F1 C21 1.352(18) . ?
F2 C22 1.364(19) . ?
F3 C23 1.376(16) . ?
F4 C24 1.33(2) . ?
F5 C25 1.354(17) . ?
O1 C15 1.142(13) . ?
O2 C16 1.135(15) . ?
O3 C17 1.143(18) . ?
O4 C18 1.174(16) . ?
O5 C19 1.131(18) . ?
C1 C2 1.430(16) . ?
C1 C5 1.500(13) . ?
C2 C3 1.414(16) . ?
C2 H2 0.9500 . ?
C3 C4 1.423(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.438(17) . ?
C4 H4 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.450(14) . ?
C8 C12 1.462(17) . ?
C9 C10 1.433(17) . ?
C10 C11 1.387(18) . ?
C10 H10 0.9500 . ?
C11 C12 1.407(17) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C20 C21 1.360(19) . ?
C20 C25 1.41(2) . ?
C21 C22 1.39(2) . ?
C22 C23 1.45(3) . ?
C23 C24 1.36(3) . ?
C24 C25 1.37(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?

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
C16 Re1 C15 80.0(5) . . ?
C16 Re1 F6 83.6(4) . . ?
C15 Re1 F6 141.6(4) . . ?
C16 Re1 C20 104.6(5) . . ?
C15 Re1 C20 73.5(4) . . ?
F6 Re1 C20 77.5(4) . . ?
C16 Re1 C4 132.8(4) . . ?
C15 Re1 C4 80.0(4) . . ?
F6 Re1 C4 134.2(4) . . ?
C20 Re1 C4 109.9(5) . . ?
C16 Re1 C5 100.4(4) . . ?
C15 Re1 C5 89.4(4) . . ?
F6 Re1 C5 127.8(3) . . ?
C20 Re1 C5 146.4(5) . . ?
C4 Re1 C5 37.3(4) . . ?
C16 Re1 C1 99.9(4) . . ?
C15 Re1 C1 127.2(4) . . ?
F6 Re1 C1 89.6(3) . . ?
C20 Re1 C1 150.6(4) . . ?
C4 Re1 C1 61.5(4) . . ?
C5 Re1 C1 38.3(3) . . ?
C16 Re1 C3 159.4(4) . . ?
C15 Re1 C3 107.7(4) . . ?
F6 Re1 C3 99.7(3) . . ?
C20 Re1 C3 95.9(5) . . ?
C4 Re1 C3 36.0(4) . . ?
C5 Re1 C3 61.4(4) . . ?
C1 Re1 C3 60.0(4) . . ?
C16 Re1 C2 129.6(4) . . ?
C15 Re1 C2 138.9(4) . . ?
F6 Re1 C2 76.7(3) . . ?
C20 Re1 C2 115.3(4) . . ?
C4 Re1 C2 59.0(4) . . ?
C5 Re1 C2 60.8(4) . . ?
C1 Re1 C2 35.4(4) . . ?
C3 Re1 C2 34.7(4) . . ?
C19 Re2 C18 89.6(6) . . ?
C19 Re2 C17 87.2(7) . . ?
C18 Re2 C17 88.5(6) . . ?
C19 Re2 C12 158.6(6) . . ?
C18 Re2 C12 100.0(5) . . ?
C17 Re2 C12 111.9(6) . . ?
C19 Re2 C10 107.8(6) . . ?
C18 Re2 C10 157.2(5) . . ?
C17 Re2 C10 106.5(6) . . ?
C12 Re2 C10 58.8(4) . . ?
C19 Re2 C11 140.0(6) . . ?
C18 Re2 C11 130.3(5) . . ?
C17 Re2 C11 91.9(6) . . ?
C12 Re2 C11 35.5(4) . . ?
C10 Re2 C11 34.9(4) . . ?
C19 Re2 C9 99.1(5) . . ?
C18 Re2 C9 128.4(5) . . ?
C17 Re2 C9 142.2(5) . . ?
C12 Re2 C9 60.0(4) . . ?
C10 Re2 C9 36.1(4) . . ?
C11 Re2 C9 59.7(4) . . ?
C19 Re2 C8 123.2(6) . . ?
C18 Re2 C8 98.0(4) . . ?
C17 Re2 C8 148.7(6) . . ?
C12 Re2 C8 36.8(4) . . ?
C10 Re2 C8 60.3(4) . . ?
C11 Re2 C8 60.7(4) . . ?
C9 Re2 C8 36.4(4) . . ?
C7 Si1 C8 111.9(5) . . ?
C7 Si1 C1 109.0(5) . . ?
C8 Si1 C1 103.1(5) . . ?
C7 Si1 C6 110.1(5) . . ?
C8 Si1 C6 113.8(5) . . ?
C1 Si1 C6 108.6(5) . . ?
C13 Si2 C14 110.6(6) . . ?
C13 Si2 C5 106.2(6) . . ?
C14 Si2 C5 112.9(6) . . ?
C13 Si2 C9 114.5(6) . . ?
C14 Si2 C9 109.2(6) . . ?
C5 Si2 C9 103.3(5) . . ?
C2 C1 C5 106.8(9) . . ?
C2 C1 Si1 127.7(8) . . ?
C5 C1 Si1 125.2(8) . . ?
C2 C1 Re1 75.1(6) . . ?
C5 C1 Re1 68.9(6) . . ?
Si1 C1 Re1 125.5(5) . . ?
C3 C2 C1 110.2(10) . . ?
C3 C2 Re1 71.3(7) . . ?
C1 C2 Re1 69.5(6) . . ?
C3 C2 H2 124.9 . . ?
C1 C2 H2 124.9 . . ?
Re1 C2 H2 125.9 . . ?
C2 C3 C4 107.2(11) . . ?
C2 C3 Re1 74.0(7) . . ?
C4 C3 Re1 67.7(6) . . ?
C2 C3 H3 126.4 . . ?
C4 C3 H3 126.4 . . ?
Re1 C3 H3 123.5 . . ?
C3 C4 C5 110.9(10) . . ?
C3 C4 Re1 76.3(7) . . ?
C5 C4 Re1 72.1(6) . . ?
C3 C4 H4 124.6 . . ?
C5 C4 H4 124.6 . . ?
Re1 C4 H4 118.7 . . ?
C4 C5 C1 104.8(9) . . ?
C4 C5 Si2 131.8(8) . . ?
C1 C5 Si2 122.9(8) . . ?
C4 C5 Re1 70.7(6) . . ?
C1 C5 Re1 72.8(6) . . ?
Si2 C5 Re1 126.6(5) . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C12 105.1(10) . . ?
C9 C8 Si1 125.6(9) . . ?
C12 C8 Si1 128.7(8) . . ?
C9 C8 Re2 71.7(6) . . ?
C12 C8 Re2 71.1(6) . . ?
Si1 C8 Re2 128.7(5) . . ?
C10 C9 C8 107.6(10) . . ?
C10 C9 Si2 127.4(8) . . ?
C8 C9 Si2 124.3(9) . . ?
C10 C9 Re2 71.6(7) . . ?
C8 C9 Re2 71.8(6) . . ?
Si2 C9 Re2 129.6(6) . . ?
C11 C10 C9 109.7(10) . . ?
C11 C10 Re2 72.6(7) . . ?
C9 C10 Re2 72.4(7) . . ?
C11 C10 H10 125.2 . . ?
C9 C10 H10 125.2 . . ?
Re2 C10 H10 121.5 . . ?
C10 C11 C12 108.3(11) . . ?
C10 C11 Re2 72.5(7) . . ?
C12 C11 Re2 72.2(7) . . ?
C10 C11 H11 125.8 . . ?
C12 C11 H11 125.8 . . ?
Re2 C11 H11 121.2 . . ?
C11 C12 C8 109.3(10) . . ?
C11 C12 Re2 72.4(7) . . ?
C8 C12 Re2 72.1(6) . . ?
C11 C12 H12 125.4 . . ?
C8 C12 H12 125.4 . . ?
Re2 C12 H12 121.8 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 Re1 178.4(11) . . ?
O2 C16 Re1 177.4(10) . . ?
O3 C17 Re2 177.1(15) . . ?
O4 C18 Re2 178.4(11) . . ?
O5 C19 Re2 178.0(16) . . ?
C21 C20 C25 116.2(13) . . ?
C21 C20 Re1 120.6(11) . . ?
C25 C20 Re1 123.0(10) . . ?
F1 C21 C20 122.9(13) . . ?
F1 C21 C22 114.0(14) . . ?
C20 C21 C22 123.1(17) . . ?
F2 C22 C21 120.5(17) . . ?
F2 C22 C23 122.4(14) . . ?
C21 C22 C23 117.0(15) . . ?
C24 C23 F3 123.5(19) . . ?
C24 C23 C22 121.4(13) . . ?
F3 C23 C22 115.1(18) . . ?
F4 C24 C23 120.8(15) . . ?
F4 C24 C25 121.4(17) . . ?
C23 C24 C25 117.6(17) . . ?
F5 C25 C24 114.7(15) . . ?
F5 C25 C20 120.6(12) . . ?
C24 C25 C20 124.6(15) . . ?
Cl2 C26 Cl1 111.6(16) . . ?
Cl2 C26 H26A 109.3 . . ?
Cl1 C26 H26A 109.3 . . ?
Cl2 C26 H26B 109.3 . . ?
Cl1 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?

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
C7 Si1 C1 C2 40.1(11) . . . . ?
C8 Si1 C1 C2 159.1(9) . . . . ?
C6 Si1 C1 C2 -79.9(10) . . . . ?
C7 Si1 C1 C5 -146.5(9) . . . . ?
C8 Si1 C1 C5 -27.5(10) . . . . ?
C6 Si1 C1 C5 93.5(9) . . . . ?
C7 Si1 C1 Re1 -58.6(8) . . . . ?
C8 Si1 C1 Re1 60.4(7) . . . . ?
C6 Si1 C1 Re1 -178.6(6) . . . . ?
C16 Re1 C1 C2 -150.6(6) . . . . ?
C15 Re1 C1 C2 124.4(7) . . . . ?
F6 Re1 C1 C2 -67.2(6) . . . . ?
C20 Re1 C1 C2 -4.2(11) . . . . ?
C4 Re1 C1 C2 75.8(7) . . . . ?
C5 Re1 C1 C2 115.1(9) . . . . ?
C3 Re1 C1 C2 34.3(6) . . . . ?
C16 Re1 C1 C5 94.3(7) . . . . ?
C15 Re1 C1 C5 9.3(9) . . . . ?
F6 Re1 C1 C5 177.7(6) . . . . ?
C20 Re1 C1 C5 -119.3(9) . . . . ?
C4 Re1 C1 C5 -39.4(6) . . . . ?
C3 Re1 C1 C5 -80.8(7) . . . . ?
C2 Re1 C1 C5 -115.1(9) . . . . ?
C16 Re1 C1 Si1 -24.7(7) . . . . ?
C15 Re1 C1 Si1 -109.6(7) . . . . ?
F6 Re1 C1 Si1 58.8(6) . . . . ?
C20 Re1 C1 Si1 121.8(9) . . . . ?
C4 Re1 C1 Si1 -158.3(8) . . . . ?
C5 Re1 C1 Si1 -118.9(10) . . . . ?
C3 Re1 C1 Si1 160.2(8) . . . . ?
C2 Re1 C1 Si1 126.0(9) . . . . ?
C5 C1 C2 C3 2.1(12) . . . . ?
Si1 C1 C2 C3 176.5(8) . . . . ?
Re1 C1 C2 C3 -59.9(8) . . . . ?
C5 C1 C2 Re1 62.0(7) . . . . ?
Si1 C1 C2 Re1 -123.7(8) . . . . ?
C16 Re1 C2 C3 159.9(7) . . . . ?
C15 Re1 C2 C3 32.5(10) . . . . ?
F6 Re1 C2 C3 -130.2(7) . . . . ?
C20 Re1 C2 C3 -61.2(8) . . . . ?
C4 Re1 C2 C3 37.8(7) . . . . ?
C5 Re1 C2 C3 81.1(7) . . . . ?
C1 Re1 C2 C3 121.1(9) . . . . ?
C16 Re1 C2 C1 38.8(8) . . . . ?
C15 Re1 C2 C1 -88.6(8) . . . . ?
F6 Re1 C2 C1 108.7(6) . . . . ?
C20 Re1 C2 C1 177.7(6) . . . . ?
C4 Re1 C2 C1 -83.3(7) . . . . ?
C5 Re1 C2 C1 -40.0(6) . . . . ?
C3 Re1 C2 C1 -121.1(9) . . . . ?
C1 C2 C3 C4 -1.1(13) . . . . ?
Re1 C2 C3 C4 -59.9(8) . . . . ?
C1 C2 C3 Re1 58.8(8) . . . . ?
C16 Re1 C3 C2 -48.8(14) . . . . ?
C15 Re1 C3 C2 -158.2(7) . . . . ?
F6 Re1 C3 C2 48.9(7) . . . . ?
C20 Re1 C3 C2 127.2(7) . . . . ?
C4 Re1 C3 C2 -116.7(10) . . . . ?
C5 Re1 C3 C2 -79.1(7) . . . . ?
C1 Re1 C3 C2 -34.9(6) . . . . ?
C16 Re1 C3 C4 68.0(14) . . . . ?
C15 Re1 C3 C4 -41.5(8) . . . . ?
F6 Re1 C3 C4 165.6(7) . . . . ?
C20 Re1 C3 C4 -116.1(8) . . . . ?
C5 Re1 C3 C4 37.7(7) . . . . ?
C1 Re1 C3 C4 81.8(8) . . . . ?
C2 Re1 C3 C4 116.7(10) . . . . ?
C2 C3 C4 C5 -0.4(13) . . . . ?
Re1 C3 C4 C5 -64.4(8) . . . . ?
C2 C3 C4 Re1 64.0(8) . . . . ?
C16 Re1 C4 C3 -153.6(7) . . . . ?
C15 Re1 C4 C3 140.1(8) . . . . ?
F6 Re1 C4 C3 -19.9(10) . . . . ?
C20 Re1 C4 C3 71.8(8) . . . . ?
C5 Re1 C4 C3 -117.7(10) . . . . ?
C1 Re1 C4 C3 -77.3(8) . . . . ?
C2 Re1 C4 C3 -36.4(7) . . . . ?
C16 Re1 C4 C5 -35.9(9) . . . . ?
C15 Re1 C4 C5 -102.2(7) . . . . ?
F6 Re1 C4 C5 97.7(7) . . . . ?
C20 Re1 C4 C5 -170.5(6) . . . . ?
C1 Re1 C4 C5 40.4(6) . . . . ?
C3 Re1 C4 C5 117.7(10) . . . . ?
C2 Re1 C4 C5 81.3(7) . . . . ?
C3 C4 C5 C1 1.6(12) . . . . ?
Re1 C4 C5 C1 -65.4(7) . . . . ?
C3 C4 C5 Si2 -170.8(9) . . . . ?
Re1 C4 C5 Si2 122.2(10) . . . . ?
C3 C4 C5 Re1 67.0(8) . . . . ?
C2 C1 C5 C4 -2.2(11) . . . . ?
Si1 C1 C5 C4 -176.8(8) . . . . ?
Re1 C1 C5 C4 63.9(7) . . . . ?
C2 C1 C5 Si2 171.0(7) . . . . ?
Si1 C1 C5 Si2 -3.5(13) . . . . ?
Re1 C1 C5 Si2 -122.9(8) . . . . ?
C2 C1 C5 Re1 -66.1(7) . . . . ?
Si1 C1 C5 Re1 119.4(8) . . . . ?
C13 Si2 C5 C4 82.3(12) . . . . ?
C14 Si2 C5 C4 -39.0(13) . . . . ?
C9 Si2 C5 C4 -156.9(10) . . . . ?
C13 Si2 C5 C1 -88.9(9) . . . . ?
C14 Si2 C5 C1 149.7(9) . . . . ?
C9 Si2 C5 C1 31.9(10) . . . . ?
C13 Si2 C5 Re1 178.6(6) . . . . ?
C14 Si2 C5 Re1 57.3(8) . . . . ?
C9 Si2 C5 Re1 -60.5(7) . . . . ?
C16 Re1 C5 C4 154.0(7) . . . . ?
C15 Re1 C5 C4 74.3(7) . . . . ?
F6 Re1 C5 C4 -116.0(6) . . . . ?
C20 Re1 C5 C4 16.2(11) . . . . ?
C1 Re1 C5 C4 -113.1(9) . . . . ?
C3 Re1 C5 C4 -36.4(7) . . . . ?
C2 Re1 C5 C4 -76.2(7) . . . . ?
C16 Re1 C5 C1 -92.9(7) . . . . ?
C15 Re1 C5 C1 -172.6(7) . . . . ?
F6 Re1 C5 C1 -2.9(8) . . . . ?
C20 Re1 C5 C1 129.4(8) . . . . ?
C4 Re1 C5 C1 113.1(9) . . . . ?
C3 Re1 C5 C1 76.7(7) . . . . ?
C2 Re1 C5 C1 36.9(6) . . . . ?
C16 Re1 C5 Si2 25.8(7) . . . . ?
C15 Re1 C5 Si2 -54.0(7) . . . . ?
F6 Re1 C5 Si2 115.8(6) . . . . ?
C20 Re1 C5 Si2 -112.0(8) . . . . ?
C4 Re1 C5 Si2 -128.3(10) . . . . ?
C1 Re1 C5 Si2 118.6(10) . . . . ?
C3 Re1 C5 Si2 -164.6(8) . . . . ?
C2 Re1 C5 Si2 155.5(8) . . . . ?
C7 Si1 C8 C9 146.9(9) . . . . ?
C1 Si1 C8 C9 29.9(11) . . . . ?
C6 Si1 C8 C9 -87.5(11) . . . . ?
C7 Si1 C8 C12 -22.3(12) . . . . ?
C1 Si1 C8 C12 -139.3(10) . . . . ?
C6 Si1 C8 C12 103.3(11) . . . . ?
C7 Si1 C8 Re2 -118.5(7) . . . . ?
C1 Si1 C8 Re2 124.5(6) . . . . ?
C6 Si1 C8 Re2 7.0(9) . . . . ?
C19 Re2 C8 C9 55.3(10) . . . . ?
C18 Re2 C8 C9 150.2(7) . . . . ?
C17 Re2 C8 C9 -109.4(11) . . . . ?
C12 Re2 C8 C9 -113.8(9) . . . . ?
C10 Re2 C8 C9 -37.4(7) . . . . ?
C11 Re2 C8 C9 -77.7(7) . . . . ?
C19 Re2 C8 C12 169.1(8) . . . . ?
C18 Re2 C8 C12 -96.0(7) . . . . ?
C17 Re2 C8 C12 4.4(12) . . . . ?
C10 Re2 C8 C12 76.4(7) . . . . ?
C11 Re2 C8 C12 36.1(7) . . . . ?
C9 Re2 C8 C12 113.8(9) . . . . ?
C19 Re2 C8 Si1 -66.0(10) . . . . ?
C18 Re2 C8 Si1 28.8(8) . . . . ?
C17 Re2 C8 Si1 129.2(10) . . . . ?
C12 Re2 C8 Si1 124.9(10) . . . . ?
C10 Re2 C8 Si1 -158.7(9) . . . . ?
C11 Re2 C8 Si1 160.9(8) . . . . ?
C9 Re2 C8 Si1 -121.4(10) . . . . ?
C12 C8 C9 C10 -0.7(12) . . . . ?
Si1 C8 C9 C10 -171.9(8) . . . . ?
Re2 C8 C9 C10 63.0(8) . . . . ?
C12 C8 C9 Si2 170.3(8) . . . . ?
Si1 C8 C9 Si2 -1.0(15) . . . . ?
Re2 C8 C9 Si2 -126.0(8) . . . . ?
C12 C8 C9 Re2 -63.7(7) . . . . ?
Si1 C8 C9 Re2 125.0(8) . . . . ?
C13 Si2 C9 C10 -106.1(11) . . . . ?
C14 Si2 C9 C10 18.5(12) . . . . ?
C5 Si2 C9 C10 138.9(10) . . . . ?
C13 Si2 C9 C8 84.8(11) . . . . ?
C14 Si2 C9 C8 -150.6(10) . . . . ?
C5 Si2 C9 C8 -30.2(11) . . . . ?
C13 Si2 C9 Re2 -9.5(9) . . . . ?
C14 Si2 C9 Re2 115.2(8) . . . . ?
C5 Si2 C9 Re2 -124.4(7) . . . . ?
C19 Re2 C9 C10 107.8(9) . . . . ?
C18 Re2 C9 C10 -155.4(7) . . . . ?
C17 Re2 C9 C10 10.5(11) . . . . ?
C12 Re2 C9 C10 -77.1(7) . . . . ?
C11 Re2 C9 C10 -35.8(7) . . . . ?
C8 Re2 C9 C10 -116.4(10) . . . . ?
C19 Re2 C9 C8 -135.8(9) . . . . ?
C18 Re2 C9 C8 -39.0(9) . . . . ?
C17 Re2 C9 C8 126.9(9) . . . . ?
C12 Re2 C9 C8 39.3(6) . . . . ?
C10 Re2 C9 C8 116.4(10) . . . . ?
C11 Re2 C9 C8 80.6(7) . . . . ?
C19 Re2 C9 Si2 -16.0(9) . . . . ?
C18 Re2 C9 Si2 80.9(8) . . . . ?
C17 Re2 C9 Si2 -113.2(10) . . . . ?
C12 Re2 C9 Si2 159.2(9) . . . . ?
C10 Re2 C9 Si2 -123.7(10) . . . . ?
C11 Re2 C9 Si2 -159.6(9) . . . . ?
C8 Re2 C9 Si2 119.9(11) . . . . ?
C8 C9 C10 C11 0.2(14) . . . . ?
Si2 C9 C10 C11 -170.4(9) . . . . ?
Re2 C9 C10 C11 63.4(9) . . . . ?
C8 C9 C10 Re2 -63.2(8) . . . . ?
Si2 C9 C10 Re2 126.2(9) . . . . ?
C19 Re2 C10 C11 161.1(9) . . . . ?
C18 Re2 C10 C11 -60.8(15) . . . . ?
C17 Re2 C10 C11 68.7(9) . . . . ?
C12 Re2 C10 C11 -37.4(8) . . . . ?
C9 Re2 C10 C11 -118.0(10) . . . . ?
C8 Re2 C10 C11 -80.3(8) . . . . ?
C19 Re2 C10 C9 -80.9(9) . . . . ?
C18 Re2 C10 C9 57.3(15) . . . . ?
C17 Re2 C10 C9 -173.3(7) . . . . ?
C12 Re2 C10 C9 80.7(7) . . . . ?
C11 Re2 C10 C9 118.0(10) . . . . ?
C8 Re2 C10 C9 37.7(6) . . . . ?
C9 C10 C11 C12 0.4(15) . . . . ?
Re2 C10 C11 C12 63.7(9) . . . . ?
C9 C10 C11 Re2 -63.3(9) . . . . ?
C19 Re2 C11 C10 -28.8(13) . . . . ?
C18 Re2 C11 C10 153.7(8) . . . . ?
C17 Re2 C11 C10 -116.7(8) . . . . ?
C12 Re2 C11 C10 116.6(11) . . . . ?
C9 Re2 C11 C10 37.0(7) . . . . ?
C8 Re2 C11 C10 79.2(8) . . . . ?
C19 Re2 C11 C12 -145.4(10) . . . . ?
C18 Re2 C11 C12 37.0(10) . . . . ?
C17 Re2 C11 C12 126.7(8) . . . . ?
C10 Re2 C11 C12 -116.6(11) . . . . ?
C9 Re2 C11 C12 -79.6(8) . . . . ?
C8 Re2 C11 C12 -37.4(7) . . . . ?
C10 C11 C12 C8 -0.8(14) . . . . ?
Re2 C11 C12 C8 63.1(8) . . . . ?
C10 C11 C12 Re2 -63.9(9) . . . . ?
C9 C8 C12 C11 0.9(13) . . . . ?
Si1 C8 C12 C11 171.8(9) . . . . ?
Re2 C8 C12 C11 -63.2(9) . . . . ?
C9 C8 C12 Re2 64.2(7) . . . . ?
Si1 C8 C12 Re2 -124.9(9) . . . . ?
C19 Re2 C12 C11 92.2(19) . . . . ?
C18 Re2 C12 C11 -152.2(8) . . . . ?
C17 Re2 C12 C11 -59.7(9) . . . . ?
C10 Re2 C12 C11 36.8(8) . . . . ?
C9 Re2 C12 C11 78.9(8) . . . . ?
C8 Re2 C12 C11 117.8(10) . . . . ?
C19 Re2 C12 C8 -26(2) . . . . ?
C18 Re2 C12 C8 90.0(7) . . . . ?
C17 Re2 C12 C8 -177.6(7) . . . . ?
C10 Re2 C12 C8 -81.0(7) . . . . ?
C11 Re2 C12 C8 -117.8(10) . . . . ?
C9 Re2 C12 C8 -38.9(6) . . . . ?
C16 Re1 C15 O1 120(42) . . . . ?
F6 Re1 C15 O1 54(43) . . . . ?
C20 Re1 C15 O1 11(42) . . . . ?
C4 Re1 C15 O1 -103(42) . . . . ?
C5 Re1 C15 O1 -140(42) . . . . ?
C1 Re1 C15 O1 -145(42) . . . . ?
C3 Re1 C15 O1 -80(42) . . . . ?
C2 Re1 C15 O1 -99(42) . . . . ?
C15 Re1 C16 O2 107(23) . . . . ?
F6 Re1 C16 O2 -108(23) . . . . ?
C20 Re1 C16 O2 177(100) . . . . ?
C4 Re1 C16 O2 41(23) . . . . ?
C5 Re1 C16 O2 20(23) . . . . ?
C1 Re1 C16 O2 -19(23) . . . . ?
C3 Re1 C16 O2 -7(24) . . . . ?
C2 Re1 C16 O2 -41(23) . . . . ?
C19 Re2 C17 O3 -157(28) . . . . ?
C18 Re2 C17 O3 113(28) . . . . ?
C12 Re2 C17 O3 13(28) . . . . ?
C10 Re2 C17 O3 -49(28) . . . . ?
C11 Re2 C17 O3 -17(28) . . . . ?
C9 Re2 C17 O3 -56(28) . . . . ?
C8 Re2 C17 O3 10(29) . . . . ?
C19 Re2 C18 O4 117(42) . . . . ?
C17 Re2 C18 O4 -156(42) . . . . ?
C12 Re2 C18 O4 -44(42) . . . . ?
C10 Re2 C18 O4 -23(42) . . . . ?
C11 Re2 C18 O4 -64(42) . . . . ?
C9 Re2 C18 O4 16(42) . . . . ?
C8 Re2 C18 O4 -6(42) . . . . ?
C18 Re2 C19 O5 2(49) . . . . ?
C17 Re2 C19 O5 -87(49) . . . . ?
C12 Re2 C19 O5 119(48) . . . . ?
C10 Re2 C19 O5 167(49) . . . . ?
C11 Re2 C19 O5 -176(100) . . . . ?
C9 Re2 C19 O5 131(49) . . . . ?
C8 Re2 C19 O5 101(49) . . . . ?
C16 Re1 C20 C21 31.7(11) . . . . ?
C15 Re1 C20 C21 106.4(11) . . . . ?
F6 Re1 C20 C21 -48.2(10) . . . . ?
C4 Re1 C20 C21 179.0(9) . . . . ?
C5 Re1 C20 C21 168.6(8) . . . . ?
C1 Re1 C20 C21 -114.1(12) . . . . ?
C3 Re1 C20 C21 -146.8(10) . . . . ?
C2 Re1 C20 C21 -116.7(10) . . . . ?
C16 Re1 C20 C25 -153.9(10) . . . . ?
C15 Re1 C20 C25 -79.2(10) . . . . ?
F6 Re1 C20 C25 126.2(10) . . . . ?
C4 Re1 C20 C25 -6.6(11) . . . . ?
C5 Re1 C20 C25 -16.9(15) . . . . ?
C1 Re1 C20 C25 60.4(14) . . . . ?
C3 Re1 C20 C25 27.6(10) . . . . ?
C2 Re1 C20 C25 57.7(11) . . . . ?
C25 C20 C21 F1 176.2(11) . . . . ?
Re1 C20 C21 F1 -9.0(17) . . . . ?
C25 C20 C21 C22 -4.6(19) . . . . ?
Re1 C20 C21 C22 170.2(10) . . . . ?
F1 C21 C22 F2 -0.7(18) . . . . ?
C20 C21 C22 F2 180.0(12) . . . . ?
F1 C21 C22 C23 -177.3(11) . . . . ?
C20 C21 C22 C23 3(2) . . . . ?
F2 C22 C23 C24 -177.5(13) . . . . ?
C21 C22 C23 C24 -1(2) . . . . ?
F2 C22 C23 F3 3(2) . . . . ?
C21 C22 C23 F3 179.0(12) . . . . ?
F3 C23 C24 F4 4(2) . . . . ?
C22 C23 C24 F4 -176.2(12) . . . . ?
F3 C23 C24 C25 180.0(13) . . . . ?
C22 C23 C24 C25 0(2) . . . . ?
F4 C24 C25 F5 -2.7(19) . . . . ?
C23 C24 C25 F5 -178.9(12) . . . . ?
F4 C24 C25 C20 174.8(12) . . . . ?
C23 C24 C25 C20 -1(2) . . . . ?
C21 C20 C25 F5 -179.0(11) . . . . ?
Re1 C20 C25 F5 6.3(16) . . . . ?
C21 C20 C25 C24 3.5(19) . . . . ?
Re1 C20 C25 C24 -171.1(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         3.270
_refine_diff_density_min         -2.308
_refine_diff_density_rms         0.230
_database_code_depnum_ccdc_archive 'CCDC 1017449'
