# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Alexander Shtemenko'
_publ_contact_author_email       ASHTEMENKO@YAHOO.COM

_publ_section_title              
;
Synthesis, characterization and in vivo antitumor
properties of the cluster rhenium compound with GABA ligands
;
loop_
_publ_author_name
'Alexander Shtemenko'
'Philippe Collery'
'Konstantin V. Domasevitch'
'Alexander A. Golichenko'
;
N.I.Shtemenko
;
'Elena D. Zabitskaya'

# Attachment 'c715.cif'

data_c715
_database_code_depnum_ccdc_archive 'CCDC 710776'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
bis-(4-ammoniobutyrato-O,O')pentachloro-aquadirhenium(III) chloride, dihydrate
;
_chemical_name_common            
;bis-(4-ammoniobutyrato-O,O')pentachloro-aquadirhenium(iii)
chloride, dihydrate
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C8 H20 Cl5 N2 O5 Re2, 2(H2 O), Cl'
_chemical_formula_sum            'C8 H24 Cl6 N2 O7 Re2'
_chemical_formula_weight         845.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_space_group_name_Hall           P_2ac_2ab
_symmetry_Int_Tables_number      19

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

_cell_length_a                   9.2599(5)
_cell_length_b                   12.7434(6)
_cell_length_c                   19.1876(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2264.2(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    13052
_cell_measurement_theta_min      4.54
_cell_measurement_theta_max      26.01

_exptl_crystal_description       prism
_exptl_crystal_colour            dark-green
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_diffrn    2.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1576
_exptl_absorpt_coefficient_mu    11.420
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.0934
_exptl_absorpt_correction_T_max  0.1041
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      223(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  
'Siemens SMART CCD area-detector diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_standards_decay_%        0
_diffrn_reflns_number            13052
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.54
_diffrn_reflns_theta_max         26.01
_reflns_number_total             4424
_reflns_number_gt                4094
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_cell_refinement       'SAINT-NT (Bruker, 1999)'
_computing_data_reduction        'SAINT-NT (Bruker, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.700.00 (Farrugia, 1999)'

#------------------------------- Refinement data-----------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0173P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.010(5)
_refine_ls_number_reflns         4424
_refine_ls_number_parameters     226
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0174
_refine_ls_wR_factor_ref         0.0348
_refine_ls_wR_factor_gt          0.0345
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_restrained_S_all      0.991
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001

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 0.410765(19) 0.281005(15) 0.832291(9) 0.02144(5) Uani 1 1 d . . .
Re2 Re 0.34948(2) 0.272135(15) 0.719312(9) 0.02060(5) Uani 1 1 d . . .
Cl1 Cl 0.20014(15) 0.33967(10) 0.88307(7) 0.0387(3) Uani 1 1 d . . .
Cl2 Cl 0.51835(16) 0.44502(10) 0.84046(6) 0.0359(3) Uani 1 1 d . . .
Cl3 Cl 0.42772(15) 0.43179(10) 0.67468(7) 0.0366(3) Uani 1 1 d . . .
Cl4 Cl 0.11311(13) 0.33092(10) 0.71604(7) 0.0346(3) Uani 1 1 d . . .
Cl5 Cl 0.50631(15) 0.24291(10) 0.96132(6) 0.0383(3) Uani 1 1 d . . .
Cl6 Cl 0.08356(14) 0.27816(12) 0.50026(6) 0.0411(3) Uani 1 1 d . . .
O1 O 0.2696(3) 0.1249(2) 0.73491(15) 0.0231(7) Uani 1 1 d . . .
O2 O 0.3327(4) 0.1325(2) 0.84571(15) 0.0237(7) Uani 1 1 d . . .
O3 O 0.5466(3) 0.2099(3) 0.69729(15) 0.0253(7) Uani 1 1 d . . .
O4 O 0.6082(3) 0.2178(3) 0.80861(15) 0.0262(7) Uani 1 1 d . . .
O5 O 0.3227(3) 0.2117(3) 0.60362(16) 0.0366(8) Uani 1 1 d . . .
H1 H 0.4005 0.2193 0.5801 0.055 Uiso 1 1 d . . .
H2 H 0.2529 0.2321 0.5774 0.055 Uiso 1 1 d . . .
N1 N 0.0114(5) 0.0149(4) 0.9822(2) 0.0420(12) Uani 1 1 d . . .
H1N H -0.0630 0.0558 0.9961 0.063 Uiso 1 1 d . . .
H2N H 0.0887 0.0323 1.0096 0.063 Uiso 1 1 d . . .
H3N H -0.0107 -0.0530 0.9899 0.063 Uiso 1 1 d . . .
N2 N 0.9847(5) 0.0622(4) 0.5661(2) 0.0409(12) Uani 1 1 d . . .
H4N H 0.9088 0.0300 0.5447 0.061 Uiso 1 1 d . . .
H5N H 1.0645 0.0225 0.5591 0.061 Uiso 1 1 d . . .
H6N H 0.9974 0.1245 0.5437 0.061 Uiso 1 1 d . . .
C1 C 0.2730(5) 0.0845(4) 0.7950(2) 0.0200(10) Uani 1 1 d . . .
C2 C 0.2039(6) -0.0196(4) 0.8073(3) 0.0301(12) Uani 1 1 d . . .
H2A H 0.2698 -0.0748 0.7914 0.036 Uiso 1 1 calc R . .
H2B H 0.1159 -0.0242 0.7791 0.036 Uiso 1 1 calc R . .
C3 C 0.1649(6) -0.0401(4) 0.8831(3) 0.0329(12) Uani 1 1 d . . .
H3A H 0.2507 -0.0300 0.9123 0.039 Uiso 1 1 calc R . .
H3B H 0.1332 -0.1131 0.8883 0.039 Uiso 1 1 calc R . .
C4 C 0.0457(6) 0.0327(4) 0.9077(3) 0.0381(13) Uani 1 1 d . . .
H4A H 0.0761 0.1057 0.9011 0.046 Uiso 1 1 calc R . .
H4B H -0.0411 0.0210 0.8796 0.046 Uiso 1 1 calc R . .
C5 C 0.6355(5) 0.1926(4) 0.7454(2) 0.0223(11) Uani 1 1 d . . .
C6 C 0.7802(6) 0.1443(4) 0.7299(3) 0.0325(12) Uani 1 1 d . . .
H6A H 0.7854 0.0754 0.7523 0.039 Uiso 1 1 calc R . .
H6B H 0.8559 0.1885 0.7503 0.039 Uiso 1 1 calc R . .
C7 C 0.8099(5) 0.1314(4) 0.6520(2) 0.0306(12) Uani 1 1 d . . .
H7A H 0.7338 0.0885 0.6308 0.037 Uiso 1 1 calc R . .
H7B H 0.8095 0.2003 0.6293 0.037 Uiso 1 1 calc R . .
C8 C 0.9551(5) 0.0792(4) 0.6414(3) 0.0320(12) Uani 1 1 d . . .
H8A H 1.0311 0.1233 0.6614 0.038 Uiso 1 1 calc R . .
H8B H 0.9563 0.0116 0.6657 0.038 Uiso 1 1 calc R . .
O6 O 0.2975(5) 0.5398(3) 0.5342(2) 0.0519(12) Uani 1 1 d . . .
H3 H 0.3199 0.5182 0.5752 0.078 Uiso 1 1 d . . .
H4 H 0.3157 0.6059 0.5341 0.078 Uiso 1 1 d . . .
O7 O 0.7075(5) 0.5896(4) 0.4560(2) 0.0583(12) Uani 1 1 d . . .
H5 H 0.7246 0.6217 0.4171 0.087 Uiso 1 1 d . . .
H6 H 0.6429 0.6330 0.4820 0.087 Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Re1 0.02548(10) 0.01866(9) 0.02017(9) -0.00038(9) -0.00011(8) -0.00068(9)
Re2 0.01938(9) 0.02203(9) 0.02038(9) 0.00087(9) -0.00032(8) 0.00142(9)
Cl1 0.0441(8) 0.0371(8) 0.0348(7) -0.0016(6) 0.0112(6) 0.0099(6)
Cl2 0.0499(8) 0.0251(6) 0.0325(7) 0.0004(5) -0.0036(7) -0.0098(6)
Cl3 0.0404(8) 0.0320(7) 0.0374(7) 0.0121(6) -0.0029(7) -0.0054(6)
Cl4 0.0253(7) 0.0364(6) 0.0421(7) 0.0004(6) -0.0018(6) 0.0086(5)
Cl5 0.0524(8) 0.0348(8) 0.0278(6) 0.0014(5) -0.0102(6) -0.0027(6)
Cl6 0.0409(7) 0.0450(7) 0.0373(7) 0.0029(7) -0.0092(6) -0.0006(8)
O1 0.0244(19) 0.0218(17) 0.0231(19) -0.0048(14) -0.0022(15) 0.0001(14)
O2 0.0296(18) 0.0183(16) 0.0232(17) 0.0009(13) 0.0002(16) -0.0017(15)
O3 0.0193(16) 0.0336(19) 0.0231(15) 0.0001(15) -0.0011(13) 0.0042(15)
O4 0.0204(16) 0.0289(17) 0.0292(17) 0.0001(16) -0.0011(13) 0.0003(16)
O5 0.0256(18) 0.057(2) 0.0277(17) 0.0013(18) -0.0016(15) 0.0034(19)
N1 0.047(3) 0.043(3) 0.036(3) -0.002(2) 0.007(3) -0.003(2)
N2 0.038(3) 0.037(3) 0.049(3) -0.006(2) 0.008(2) 0.000(2)
C1 0.020(2) 0.019(2) 0.021(3) -0.0021(19) 0.000(2) 0.0037(19)
C2 0.031(3) 0.025(3) 0.034(3) -0.005(2) -0.001(2) -0.004(2)
C3 0.035(3) 0.024(3) 0.039(3) 0.004(2) 0.002(3) -0.004(2)
C4 0.038(3) 0.036(3) 0.041(3) 0.003(3) 0.004(3) -0.002(3)
C5 0.020(2) 0.023(3) 0.024(2) 0.0012(18) 0.005(2) -0.0005(19)
C6 0.023(3) 0.041(3) 0.034(3) 0.005(3) 0.003(2) 0.004(2)
C7 0.022(3) 0.038(3) 0.032(3) 0.000(2) 0.002(2) 0.004(2)
C8 0.025(3) 0.033(3) 0.038(3) -0.009(2) 0.000(2) 0.000(2)
O6 0.055(3) 0.056(3) 0.044(2) 0.012(2) -0.002(2) -0.010(2)
O7 0.040(3) 0.069(3) 0.066(3) -0.003(2) 0.004(2) -0.004(2)

_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 O2 2.042(3) . ?
Re1 O4 2.049(3) . ?
Re1 Re2 2.2437(3) . ?
Re1 Cl1 2.3048(13) . ?
Re1 Cl2 2.3207(12) . ?
Re1 Cl5 2.6735(12) . ?
Re2 O3 2.035(3) . ?
Re2 O1 2.039(3) . ?
Re2 Cl4 2.3142(12) . ?
Re2 Cl3 2.3233(12) . ?
Re2 O5 2.363(3) . ?
O1 C1 1.263(5) . ?
O2 C1 1.275(5) . ?
O3 C5 1.256(5) . ?
O4 C5 1.280(5) . ?
O5 H1 0.8553 . ?
O5 H2 0.8594 . ?
N1 C4 1.481(6) . ?
N1 H1N 0.9037 . ?
N1 H2N 0.9148 . ?
N1 H3N 0.9018 . ?
N2 C8 1.486(6) . ?
N2 H4N 0.9114 . ?
N2 H5N 0.9053 . ?
N2 H6N 0.9106 . ?
C1 C2 1.493(6) . ?
C2 C3 1.522(7) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C4 1.517(7) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C5 C6 1.504(7) . ?
C6 C7 1.528(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C7 C8 1.514(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
O6 H3 0.8579 . ?
O6 H4 0.8594 . ?
O7 H5 0.8655 . ?
O7 H6 0.9547 . ?

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 O4 88.83(13) . . ?
O2 Re1 Re2 89.17(8) . . ?
O4 Re1 Re2 89.52(8) . . ?
O2 Re1 Cl1 87.00(10) . . ?
O4 Re1 Cl1 167.52(9) . . ?
Re2 Re1 Cl1 102.16(4) . . ?
O2 Re1 Cl2 167.99(9) . . ?
O4 Re1 Cl2 89.20(10) . . ?
Re2 Re1 Cl2 102.66(3) . . ?
Cl1 Re1 Cl2 92.44(5) . . ?
O2 Re1 Cl5 80.34(9) . . ?
O4 Re1 Cl5 80.72(9) . . ?
Re2 Re1 Cl5 165.75(3) . . ?
Cl1 Re1 Cl5 86.99(5) . . ?
Cl2 Re1 Cl5 87.65(4) . . ?
O3 Re2 O1 89.84(13) . . ?
O3 Re2 Re1 89.62(8) . . ?
O1 Re2 Re1 89.79(8) . . ?
O3 Re2 Cl4 165.71(9) . . ?
O1 Re2 Cl4 87.63(10) . . ?
Re1 Re2 Cl4 104.43(3) . . ?
O3 Re2 Cl3 89.15(10) . . ?
O1 Re2 Cl3 166.68(9) . . ?
Re1 Re2 Cl3 103.48(3) . . ?
Cl4 Re2 Cl3 90.08(5) . . ?
O3 Re2 O5 76.83(11) . . ?
O1 Re2 O5 78.46(13) . . ?
Re1 Re2 O5 161.96(9) . . ?
Cl4 Re2 O5 88.88(9) . . ?
Cl3 Re2 O5 88.38(10) . . ?
C1 O1 Re2 120.0(3) . . ?
C1 O2 Re1 120.1(3) . . ?
C5 O3 Re2 120.2(3) . . ?
C5 O4 Re1 119.0(3) . . ?
Re2 O5 H1 111.7 . . ?
Re2 O5 H2 122.1 . . ?
H1 O5 H2 106.9 . . ?
C4 N1 H1N 111.1 . . ?
C4 N1 H2N 110.5 . . ?
H1N N1 H2N 106.7 . . ?
C4 N1 H3N 110.8 . . ?
H1N N1 H3N 109.3 . . ?
H2N N1 H3N 108.3 . . ?
C8 N2 H4N 111.1 . . ?
C8 N2 H5N 112.2 . . ?
H4N N2 H5N 108.1 . . ?
C8 N2 H6N 110.8 . . ?
H4N N2 H6N 106.2 . . ?
H5N N2 H6N 108.2 . . ?
O1 C1 O2 120.8(4) . . ?
O1 C1 C2 119.7(4) . . ?
O2 C1 C2 119.5(4) . . ?
C1 C2 C3 113.9(4) . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2B 108.8 . . ?
C3 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C2 C3 C4 111.4(4) . . ?
C2 C3 H3A 109.4 . . ?
C4 C3 H3A 109.4 . . ?
C2 C3 H3B 109.4 . . ?
C4 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
N1 C4 C3 111.2(4) . . ?
N1 C4 H4A 109.4 . . ?
C3 C4 H4A 109.4 . . ?
N1 C4 H4B 109.4 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
O3 C5 O4 121.6(4) . . ?
O3 C5 C6 120.7(4) . . ?
O4 C5 C6 117.7(4) . . ?
C5 C6 C7 113.4(4) . . ?
C5 C6 H6A 108.9 . . ?
C7 C6 H6A 108.9 . . ?
C5 C6 H6B 108.9 . . ?
C7 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
C8 C7 C6 109.8(4) . . ?
C8 C7 H7A 109.7 . . ?
C6 C7 H7A 109.7 . . ?
C8 C7 H7B 109.7 . . ?
C6 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
N2 C8 C7 111.1(4) . . ?
N2 C8 H8A 109.4 . . ?
C7 C8 H8A 109.4 . . ?
N2 C8 H8B 109.4 . . ?
C7 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
H3 O6 H4 105.7 . . ?
H5 O7 H6 107.0 . . ?

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
O2 Re1 Re2 O3 -89.00(14) . . . . ?
O4 Re1 Re2 O3 -0.16(13) . . . . ?
Cl1 Re1 Re2 O3 -175.74(10) . . . . ?
Cl2 Re1 Re2 O3 88.92(10) . . . . ?
Cl5 Re1 Re2 O3 -46.64(17) . . . . ?
O2 Re1 Re2 O1 0.85(13) . . . . ?
O4 Re1 Re2 O1 89.68(13) . . . . ?
Cl1 Re1 Re2 O1 -85.90(10) . . . . ?
Cl2 Re1 Re2 O1 178.76(10) . . . . ?
Cl5 Re1 Re2 O1 43.20(16) . . . . ?
O2 Re1 Re2 Cl4 88.34(10) . . . . ?
O4 Re1 Re2 Cl4 177.18(10) . . . . ?
Cl1 Re1 Re2 Cl4 1.60(5) . . . . ?
Cl2 Re1 Re2 Cl4 -93.74(5) . . . . ?
Cl5 Re1 Re2 Cl4 130.70(13) . . . . ?
O2 Re1 Re2 Cl3 -178.03(10) . . . . ?
O4 Re1 Re2 Cl3 -89.19(10) . . . . ?
Cl1 Re1 Re2 Cl3 95.22(5) . . . . ?
Cl2 Re1 Re2 Cl3 -0.12(5) . . . . ?
Cl5 Re1 Re2 Cl3 -135.67(13) . . . . ?
O2 Re1 Re2 O5 -48.1(3) . . . . ?
O4 Re1 Re2 O5 40.7(3) . . . . ?
Cl1 Re1 Re2 O5 -134.8(3) . . . . ?
Cl2 Re1 Re2 O5 129.8(3) . . . . ?
Cl5 Re1 Re2 O5 -5.7(3) . . . . ?
O3 Re2 O1 C1 90.6(3) . . . . ?
Re1 Re2 O1 C1 1.0(3) . . . . ?
Cl4 Re2 O1 C1 -103.4(3) . . . . ?
Cl3 Re2 O1 C1 176.3(3) . . . . ?
O5 Re2 O1 C1 167.2(4) . . . . ?
O4 Re1 O2 C1 -92.6(3) . . . . ?
Re2 Re1 O2 C1 -3.0(3) . . . . ?
Cl1 Re1 O2 C1 99.2(3) . . . . ?
Cl2 Re1 O2 C1 -173.2(4) . . . . ?
Cl5 Re1 O2 C1 -173.4(3) . . . . ?
O1 Re2 O3 C5 -88.0(4) . . . . ?
Re1 Re2 O3 C5 1.7(3) . . . . ?
Cl4 Re2 O3 C5 -167.8(3) . . . . ?
Cl3 Re2 O3 C5 105.2(3) . . . . ?
O5 Re2 O3 C5 -166.2(4) . . . . ?
O2 Re1 O4 C5 87.9(3) . . . . ?
Re2 Re1 O4 C5 -1.3(3) . . . . ?
Cl1 Re1 O4 C5 158.3(4) . . . . ?
Cl2 Re1 O4 C5 -104.0(3) . . . . ?
Cl5 Re1 O4 C5 168.3(3) . . . . ?
Re2 O1 C1 O2 -3.6(6) . . . . ?
Re2 O1 C1 C2 175.1(3) . . . . ?
Re1 O2 C1 O1 4.6(6) . . . . ?
Re1 O2 C1 C2 -174.1(3) . . . . ?
O1 C1 C2 C3 -158.0(4) . . . . ?
O2 C1 C2 C3 20.8(6) . . . . ?
C1 C2 C3 C4 67.1(6) . . . . ?
C2 C3 C4 N1 -178.1(4) . . . . ?
Re2 O3 C5 O4 -3.2(6) . . . . ?
Re2 O3 C5 C6 178.6(3) . . . . ?
Re1 O4 C5 O3 3.0(6) . . . . ?
Re1 O4 C5 C6 -178.8(3) . . . . ?
O3 C5 C6 C7 6.2(7) . . . . ?
O4 C5 C6 C7 -172.0(4) . . . . ?
C5 C6 C7 C8 -178.1(4) . . . . ?
C6 C7 C8 N2 178.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        26.01
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.435
_refine_diff_density_min         -0.502
_refine_diff_density_rms         0.093