#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179855 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/51/7015189.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7015189
loop_
_publ_author_name
'Martínez-Lillo, José'
'Armentano, Donatella'
'De Munno, Giovanni'
'Lloret, Francesc'
'Julve, Miguel'
'Faus, Juan'
_publ_section_title
;
 Synthesis, crystal structure and magnetic properties of an
 oxalato-bridged Re(IV)Mo(VI) heterobimetallic complex.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4818
_journal_page_last               4820
_journal_paper_doi               10.1039/c0dt01323d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C50 H40 Cl6 Mo O6 P2 Re'
_chemical_formula_weight         1293.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.132(2)
_cell_angle_beta                 93.506(2)
_cell_angle_gamma                106.2570(10)
_cell_formula_units_Z            1
_cell_length_a                   9.6472(4)
_cell_length_b                   11.7440(5)
_cell_length_c                   11.9908(5)
_cell_measurement_reflns_used    7175
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.02
_cell_measurement_theta_min      2.24
_cell_volume                     1270.05(9)
_computing_cell_refinement       'Bruker-Nonius SAINT'
_computing_data_collection       'Bruker-Nonius SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0130
_diffrn_reflns_av_sigmaI/netI    0.0483
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15176
_diffrn_reflns_theta_full        31.25
_diffrn_reflns_theta_max         31.25
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    3.054
_exptl_absorpt_correction_T_max  0.8380
_exptl_absorpt_correction_T_min  0.5803
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            bronze
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       IRREGULAR
_exptl_crystal_F_000             637
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         8.309
_refine_diff_density_min         -1.439
_refine_diff_density_rms         0.251
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.741(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    RIDING
_refine_ls_matrix_type           full
_refine_ls_number_parameters     591
_refine_ls_number_reflns         12010
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0822
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1339P)²+2.9014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2128
_refine_ls_wR_factor_ref         0.2193
_reflns_number_gt                10397
_reflns_number_total             12010
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01323d.txt
_cod_data_source_block           Compound1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7015189
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 0.99092(3) -0.24164(3) 0.99012(3) 0.05123(14) Uani 1 1 d . . .
Mo1 Mo 1.00637(14) 0.24264(14) 1.00824(9) 0.0647(4) Uani 1 1 d . . .
Cl1 Cl 1.0313(7) -0.2542(5) 0.7980(4) 0.0714(12) Uani 1 1 d . . .
Cl2 Cl 1.1649(7) -0.3282(5) 1.0280(4) 0.0774(14) Uani 1 1 d . . .
Cl3 Cl 0.9475(8) -0.2096(6) 1.1811(5) 0.0800(15) Uani 1 1 d . . .
Cl4 Cl 0.8082(8) -0.4187(5) 0.9457(6) 0.0948(19) Uani 1 1 d . . .
Cl5 Cl 1.0422(5) 0.1797(4) 0.8139(4) 0.0746(10) Uani 1 1 d . . .
Cl6 Cl 0.9697(8) 0.2343(5) 1.1975(5) 0.0931(15) Uani 1 1 d . . .
C1 C 1.0778(12) 0.0121(9) 1.0205(11) 0.043(2) Uani 1 1 d . . .
C2 C 0.9165(13) -0.0282(12) 0.9843(11) 0.052(3) Uani 1 1 d . . .
O1 O 1.1399(12) -0.0665(10) 1.0308(13) 0.059(3) Uani 1 1 d . . .
O2 O 0.8502(12) -0.1388(8) 0.9654(10) 0.049(2) Uani 1 1 d . . .
O3 O 0.8583(11) 0.0519(9) 0.9765(11) 0.062(3) Uani 1 1 d . . .
O4 O 1.1428(10) 0.1216(9) 1.0386(10) 0.062(3) Uani 1 1 d . . .
O5 O 1.1613(11) 0.3737(7) 1.0392(11) 0.074(3) Uani 1 1 d . . .
O6 O 0.8536(14) 0.2965(11) 0.9744(11) 0.077(3) Uiso 1 1 d . . .
P1 P 0.4713(3) 0.7469(2) 0.6282(2) 0.0400(5) Uani 1 1 d . . .
C3 C 0.4505(11) 0.8829(9) 0.7132(11) 0.045(2) Uani 1 1 d . . .
C4 C 0.3463(15) 0.9368(13) 0.6749(14) 0.060(3) Uani 1 1 d . . .
H4A H 0.2847 0.8999 0.6070 0.072 Uiso 1 1 calc R . .
C5 C 0.339(2) 1.0425(15) 0.739(2) 0.080(5) Uani 1 1 d . . .
H5B H 0.2779 1.0817 0.7104 0.096 Uiso 1 1 calc R . .
C6 C 0.416(2) 1.0932(14) 0.8428(18) 0.075(5) Uani 1 1 d . . .
H6B H 0.3996 1.1602 0.8889 0.089 Uiso 1 1 calc R . .
C7 C 0.5238(19) 1.0437(14) 0.8808(14) 0.068(4) Uani 1 1 d . . .
H7A H 0.5867 1.0840 0.9475 0.081 Uiso 1 1 calc R . .
C8 C 0.5345(18) 0.9359(14) 0.8189(13) 0.061(3) Uani 1 1 d . . .
H8A H 0.5977 0.8984 0.8475 0.073 Uiso 1 1 calc R . .
C9 C 0.3371(10) 0.6901(11) 0.5046(10) 0.043(2) Uani 1 1 d . . .
C10 C 0.2265(14) 0.5799(11) 0.4942(13) 0.055(3) Uani 1 1 d . . .
H10A H 0.2194 0.5369 0.5522 0.066 Uiso 1 1 calc R . .
C11 C 0.1272(15) 0.5364(15) 0.3939(15) 0.066(4) Uani 1 1 d . . .
H11A H 0.0564 0.4615 0.3830 0.079 Uiso 1 1 calc R . .
C12 C 0.1343(18) 0.6019(16) 0.3149(17) 0.070(4) Uani 1 1 d . . .
H12A H 0.0646 0.5727 0.2509 0.084 Uiso 1 1 calc R . .
C13 C 0.2400(18) 0.7113(18) 0.3227(13) 0.069(4) Uani 1 1 d . . .
H13A H 0.2422 0.7533 0.2642 0.083 Uiso 1 1 calc R . .
C14 C 0.3439(16) 0.7584(14) 0.4200(15) 0.052(4) Uani 1 1 d . . .
H14A H 0.4152 0.8325 0.4281 0.063 Uiso 1 1 calc R . .
C15 C 0.6476(13) 0.7781(13) 0.5753(11) 0.040(2) Uani 1 1 d . . .
C16 C 0.6603(13) 0.6927(11) 0.4793(11) 0.052(3) Uani 1 1 d . . .
H16A H 0.5803 0.6286 0.4420 0.062 Uiso 1 1 calc R . .
C17 C 0.7970(16) 0.7079(14) 0.4427(14) 0.064(3) Uani 1 1 d . . .
H17A H 0.8078 0.6542 0.3782 0.076 Uiso 1 1 calc R . .
C18 C 0.9141(14) 0.7984(13) 0.4981(14) 0.061(3) Uani 1 1 d . . .
H18A H 1.0050 0.8048 0.4737 0.073 Uiso 1 1 calc R . .
C19 C 0.8996(13) 0.8801(15) 0.5893(14) 0.064(4) Uani 1 1 d . . .
H19A H 0.9804 0.9444 0.6248 0.077 Uiso 1 1 calc R . .
C20 C 0.7639(14) 0.8701(13) 0.6323(12) 0.054(3) Uani 1 1 d . . .
H20A H 0.7551 0.9245 0.6971 0.065 Uiso 1 1 calc R . .
C21 C 0.4534(11) 0.6348(9) 0.7134(10) 0.042(2) Uani 1 1 d . . .
C22 C 0.5459(15) 0.5650(12) 0.7104(12) 0.055(3) Uani 1 1 d . . .
H22A H 0.6248 0.5785 0.6686 0.067 Uiso 1 1 calc R . .
C23 C 0.519(3) 0.475(2) 0.770(2) 0.077(6) Uani 1 1 d . . .
H23A H 0.5846 0.4302 0.7716 0.092 Uiso 1 1 calc R . .
C24 C 0.404(2) 0.4486(12) 0.8274(14) 0.070(4) Uani 1 1 d . . .
H24A H 0.3876 0.3840 0.8642 0.083 Uiso 1 1 calc R . .
C25 C 0.310(2) 0.5166(15) 0.8313(16) 0.076(4) Uani 1 1 d . . .
H25A H 0.2292 0.4994 0.8709 0.091 Uiso 1 1 calc R . .
C26 C 0.337(2) 0.6134(18) 0.7744(17) 0.068(4) Uani 1 1 d . . .
H26A H 0.2756 0.6625 0.7781 0.081 Uiso 1 1 calc R . .
C27 C 0.5246(12) 0.3160(9) 0.2811(10) 0.044(2) Uani 1 1 d . . .
C28 C 0.6413(18) 0.3357(16) 0.2172(16) 0.071(4) Uani 1 1 d . . .
H28A H 0.7053 0.2893 0.2151 0.085 Uiso 1 1 calc R . .
C29 C 0.659(2) 0.427(2) 0.157(2) 0.088(6) Uani 1 1 d . . .
H29A H 0.7400 0.4460 0.1180 0.106 Uiso 1 1 calc R . .
C30 C 0.559(3) 0.4905(19) 0.1520(18) 0.086(5) Uani 1 1 d . . .
H30A H 0.5689 0.5478 0.1069 0.103 Uiso 1 1 calc R . .
C31 C 0.446(2) 0.4675(17) 0.2146(17) 0.078(5) Uani 1 1 d . . .
H31A H 0.3805 0.5120 0.2130 0.094 Uiso 1 1 calc R . .
C32 C 0.4246(14) 0.3834(12) 0.2794(12) 0.055(3) Uani 1 1 d . . .
H32A H 0.3461 0.3704 0.3216 0.065 Uiso 1 1 calc R . .
C33 C 0.6441(14) 0.2717(12) 0.4945(15) 0.052(4) Uani 1 1 d . . .
C34 C 0.6407(15) 0.2076(13) 0.5833(14) 0.060(3) Uani 1 1 d . . .
H34A H 0.5700 0.1336 0.5776 0.071 Uiso 1 1 calc R . .
C35 C 0.7413(17) 0.2548(18) 0.6764(15) 0.075(4) Uani 1 1 d . . .
H35A H 0.7391 0.2115 0.7339 0.090 Uiso 1 1 calc R . .
C36 C 0.8467(16) 0.3646(16) 0.6896(13) 0.067(4) Uani 1 1 d . . .
H36A H 0.9137 0.3963 0.7552 0.081 Uiso 1 1 calc R . .
C37 C 0.850(2) 0.4259(15) 0.6032(16) 0.069(4) Uani 1 1 d . . .
H37A H 0.9219 0.4995 0.6098 0.083 Uiso 1 1 calc R . .
C38 C 0.7488(12) 0.3810(12) 0.5060(12) 0.053(3) Uani 1 1 d . . .
H38A H 0.7521 0.4248 0.4489 0.064 Uiso 1 1 calc R . .
C39 C 0.5377(12) 0.0745(11) 0.2918(11) 0.048(2) Uani 1 1 d . . .
C40 C 0.6334(14) 0.0223(13) 0.3357(17) 0.066(4) Uani 1 1 d . . .
H40A H 0.6817 0.0542 0.4095 0.080 Uiso 1 1 calc R . .
C41 C 0.657(2) -0.0800(16) 0.267(2) 0.084(6) Uani 1 1 d . . .
H41A H 0.7273 -0.1124 0.2922 0.101 Uiso 1 1 calc R . .
C42 C 0.573(3) -0.1342(14) 0.158(2) 0.082(5) Uani 1 1 d . . .
H42A H 0.5844 -0.2048 0.1144 0.099 Uiso 1 1 calc R . .
C43 C 0.476(2) -0.0826(15) 0.1188(17) 0.077(5) Uani 1 1 d . . .
H43A H 0.4211 -0.1179 0.0478 0.093 Uiso 1 1 calc R . .
C44 C 0.4582(18) 0.027(2) 0.1862(18) 0.062(4) Uani 1 1 d . . .
H44A H 0.3942 0.0642 0.1587 0.075 Uiso 1 1 calc R . .
C45 C 0.3328(11) 0.1782(9) 0.4221(11) 0.045(2) Uani 1 1 d . . .
C46 C 0.2150(15) 0.0836(13) 0.3641(13) 0.058(3) Uani 1 1 d . . .
H46A H 0.2277 0.0288 0.3013 0.069 Uiso 1 1 calc R . .
C47 C 0.0788(16) 0.0700(17) 0.3988(16) 0.071(5) Uani 1 1 d . . .
H47A H -0.0004 0.0056 0.3606 0.086 Uiso 1 1 calc R . .
C48 C 0.0614(15) 0.1550(15) 0.4929(13) 0.066(4) Uani 1 1 d . . .
H48A H -0.0303 0.1474 0.5162 0.079 Uiso 1 1 calc R . .
C49 C 0.1791(15) 0.2495(14) 0.5511(14) 0.063(3) Uani 1 1 d . . .
H49A H 0.1682 0.3041 0.6148 0.076 Uiso 1 1 calc R . .
C50 C 0.3150(17) 0.2615(17) 0.5120(15) 0.065(4) Uani 1 1 d . . .
H50A H 0.3943 0.3272 0.5478 0.078 Uiso 1 1 calc R . .
P2 P 0.5087(3) 0.2086(2) 0.3711(3) 0.0421(5) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
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
O2 Re1 O1 80.1(4) . . ?
O2 Re1 Cl2 172.3(3) . . ?
O1 Re1 Cl2 92.3(3) . . ?
O2 Re1 Cl4 92.7(3) . . ?
O1 Re1 Cl4 172.8(4) . . ?
Cl2 Re1 Cl4 94.8(2) . . ?
O2 Re1 Cl3 86.5(4) . . ?
O1 Re1 Cl3 87.1(5) . . ?
Cl2 Re1 Cl3 91.6(2) . . ?
Cl4 Re1 Cl3 91.4(3) . . ?
O2 Re1 Cl1 88.5(4) . . ?
O1 Re1 Cl1 89.0(4) . . ?
Cl2 Re1 Cl1 92.97(19) . . ?
Cl4 Re1 Cl1 91.9(2) . . ?
Cl3 Re1 Cl1 174.1(2) . . ?
O5 Mo1 O6 105.6(5) . . ?
O5 Mo1 O3 164.0(4) . . ?
O6 Mo1 O3 90.4(5) . . ?
O5 Mo1 O4 91.8(4) . . ?
O6 Mo1 O4 162.6(5) . . ?
O3 Mo1 O4 72.3(3) . . ?
O5 Mo1 Cl6 97.1(5) . . ?
O6 Mo1 Cl6 97.2(4) . . ?
O3 Mo1 Cl6 81.6(4) . . ?
O4 Mo1 Cl6 80.7(3) . . ?
O5 Mo1 Cl5 95.1(5) . . ?
O6 Mo1 Cl5 94.9(4) . . ?
O3 Mo1 Cl5 82.3(4) . . ?
O4 Mo1 Cl5 82.9(3) . . ?
Cl6 Mo1 Cl5 159.85(18) . . ?
O4 C1 O1 123.1(12) . . ?
O4 C1 C2 118.1(9) . . ?
O1 C1 C2 118.9(10) . . ?
O3 C2 O2 124.4(12) . . ?
O3 C2 C1 117.2(11) . . ?
O2 C2 C1 118.4(11) . . ?
C1 O1 Re1 111.0(9) . . ?
C2 O2 Re1 111.6(9) . . ?
C2 O3 Mo1 116.5(9) . . ?
C1 O4 Mo1 115.8(7) . . ?
C3 P1 C9 110.5(5) . . ?
C3 P1 C21 109.1(5) . . ?
C9 P1 C21 110.0(5) . . ?
C3 P1 C15 110.4(6) . . ?
C9 P1 C15 106.6(6) . . ?
C21 P1 C15 110.2(6) . . ?
C8 C3 C4 119.3(12) . . ?
C8 C3 P1 120.0(9) . . ?
C4 C3 P1 120.7(10) . . ?
C5 C4 C3 118.8(15) . . ?
C6 C5 C4 122.6(17) . . ?
C5 C6 C7 119.3(15) . . ?
C8 C7 C6 119.7(16) . . ?
C7 C8 C3 119.7(15) . . ?
C14 C9 C10 121.1(11) . . ?
C14 C9 P1 118.7(9) . . ?
C10 C9 P1 120.1(10) . . ?
C11 C10 C9 118.2(13) . . ?
C12 C11 C10 120.1(13) . . ?
C11 C12 C13 123.3(16) . . ?
C12 C13 C14 119.2(15) . . ?
C9 C14 C13 118.0(14) . . ?
C20 C15 C16 121.9(12) . . ?
C20 C15 P1 121.8(10) . . ?
C16 C15 P1 115.9(9) . . ?
C17 C16 C15 117.4(12) . . ?
C18 C17 C16 121.7(14) . . ?
C17 C18 C19 120.0(12) . . ?
C18 C19 C20 121.5(12) . . ?
C15 C20 C19 117.4(13) . . ?
C22 C21 C26 120.4(12) . . ?
C22 C21 P1 121.2(10) . . ?
C26 C21 P1 118.1(10) . . ?
C23 C22 C21 118.2(15) . . ?
C24 C23 C22 123.2(18) . . ?
C23 C24 C25 119.6(14) . . ?
C24 C25 C26 118.9(15) . . ?
C21 C26 C25 119.6(14) . . ?
C28 C27 C32 120.5(11) . . ?
C28 C27 P2 118.8(10) . . ?
C32 C27 P2 120.6(9) . . ?
C29 C28 C27 117.6(15) . . ?
C30 C29 C28 121.8(17) . . ?
C31 C30 C29 118.4(17) . . ?
C32 C31 C30 123.4(17) . . ?
C31 C32 C27 118.0(13) . . ?
C38 C33 C34 118.9(13) . . ?
C38 C33 P2 122.0(12) . . ?
C34 C33 P2 119.1(9) . . ?
C35 C34 C33 119.4(13) . . ?
C34 C35 C36 122.5(15) . . ?
C37 C36 C35 118.0(14) . . ?
C36 C37 C38 121.6(15) . . ?
C33 C38 C37 119.7(15) . . ?
C44 C39 C40 122.8(15) . . ?
C44 C39 P2 115.9(12) . . ?
C40 C39 P2 121.4(11) . . ?
C39 C40 C41 118.6(17) . . ?
C40 C41 C42 120.1(17) . . ?
C43 C42 C41 119.6(16) . . ?
C42 C43 C44 120.5(19) . . ?
C39 C44 C43 118.2(18) . . ?
C50 C45 C46 120.4(13) . . ?
C50 C45 P2 117.3(9) . . ?
C46 C45 P2 121.8(11) . . ?
C47 C46 C45 120.4(14) . . ?
C46 C47 C48 118.9(13) . . ?
C49 C48 C47 120.7(13) . . ?
C48 C49 C50 118.6(14) . . ?
C45 C50 C49 120.8(14) . . ?
C39 P2 C27 108.6(6) . . ?
C39 P2 C33 109.2(7) . . ?
C27 P2 C33 109.7(6) . . ?
C39 P2 C45 112.0(5) . . ?
C27 P2 C45 109.8(5) . . ?
C33 P2 C45 107.4(7) . . ?
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 O2 2.096(10) . ?
Re1 O1 2.099(12) . ?
Re1 Cl2 2.258(5) . ?
Re1 Cl4 2.263(5) . ?
Re1 Cl3 2.331(6) . ?
Re1 Cl1 2.343(5) . ?
Mo1 O5 1.778(8) . ?
Mo1 O6 1.812(13) . ?
Mo1 O3 2.239(11) . ?
Mo1 O4 2.253(10) . ?
Mo1 Cl6 2.334(5) . ?
Mo1 Cl5 2.382(4) . ?
C1 O4 1.232(15) . ?
C1 O1 1.253(15) . ?
C1 C2 1.503(13) . ?
C2 O3 1.238(16) . ?
C2 O2 1.246(16) . ?
P1 C3 1.791(12) . ?
P1 C9 1.794(11) . ?
P1 C21 1.794(11) . ?
P1 C15 1.817(13) . ?
C3 C8 1.392(19) . ?
C3 C4 1.426(16) . ?
C4 C5 1.35(2) . ?
C5 C6 1.35(3) . ?
C6 C7 1.41(3) . ?
C7 C8 1.37(2) . ?
C9 C14 1.403(19) . ?
C9 C10 1.406(15) . ?
C10 C11 1.41(2) . ?
C11 C12 1.32(3) . ?
C12 C13 1.38(3) . ?
C13 C14 1.40(2) . ?
C15 C20 1.355(18) . ?
C15 C16 1.409(17) . ?
C16 C17 1.391(18) . ?
C17 C18 1.35(2) . ?
C18 C19 1.35(2) . ?
C19 C20 1.418(18) . ?
C21 C22 1.368(17) . ?
C21 C26 1.37(2) . ?
C22 C23 1.36(3) . ?
C23 C24 1.34(3) . ?
C24 C25 1.36(2) . ?
C25 C26 1.41(2) . ?
C27 C28 1.392(19) . ?
C27 C32 1.411(18) . ?
C27 P2 1.792(11) . ?
C28 C29 1.39(2) . ?
C29 C30 1.38(3) . ?
C30 C31 1.35(3) . ?
C31 C32 1.35(2) . ?
C33 C38 1.370(16) . ?
C33 C34 1.41(2) . ?
C33 P2 1.801(15) . ?
C34 C35 1.35(2) . ?
C35 C36 1.37(3) . ?
C36 C37 1.37(3) . ?
C37 C38 1.39(2) . ?
C39 C44 1.37(2) . ?
C39 C40 1.373(19) . ?
C39 P2 1.779(12) . ?
C40 C41 1.40(2) . ?
C41 C42 1.42(3) . ?
C42 C43 1.35(3) . ?
C43 C44 1.44(3) . ?
C45 C50 1.36(2) . ?
C45 C46 1.381(16) . ?
C45 P2 1.803(11) . ?
C46 C47 1.38(2) . ?
C47 C48 1.41(2) . ?
C48 C49 1.38(2) . ?
C49 C50 1.40(2) . ?
