#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:32:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179975 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/69/7026935.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_7026935
loop_
_publ_author_name
'Alberding, Brian G.'
'Chisholm, Malcolm H.'
'Gallucci, Judith C.'
'Gustafson, Terry L.'
'Reed, Carly R.'
'Turro, Claudia'
_publ_section_title
;
 Concerning the photophysical properties of Re2(4+) and Re2(6+)
 carboxylate compounds.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11587
_journal_page_last               11593
_journal_paper_doi               10.1039/c0dt00968g
_journal_volume                  39
_journal_year                    2010
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C64 H52 Cl2 N2 O8 P4 Re2, 2(C4 H8 O)'
_chemical_formula_sum            'C72 H68 Cl2 N2 O10 P4 Re2'
_chemical_formula_weight         1688.46
_chemical_name_common            'Chisholm 1708'
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2010-07-23T14:55:26-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 124.225(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.062(7)
_cell_length_b                   10.454(3)
_cell_length_c                   24.183(6)
_cell_measurement_temperature    150(2)
_cell_measurement_wavelength     0.77490
_cell_volume                     6493(3)
_computing_cell_refinement       'Bruker SAINT v7.56A'
_computing_data_collection       'Bruker APEX2 v2008.5.0'
_computing_data_reduction        'Bruker SAINT v7.56A'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7749
_diffrn_reflns_av_R_equivalents  0.1314
_diffrn_reflns_av_unetI/netI     0.0966
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            34819
_diffrn_reflns_theta_full        29.12
_diffrn_reflns_theta_max         29.12
_diffrn_reflns_theta_min         3.97
_exptl_absorpt_coefficient_mu    4.769
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            orange-brown
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             3352
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.512
_refine_diff_density_min         -2.242
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6692
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.104
_refine_ls_R_factor_gt           0.05
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0524P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1197
_reflns_number_gt                4112
_reflns_number_total             6692
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c0dt00968g.txt
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7026935
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
'-x, -y, -z'
'-x, y, -z-1/2'
'-x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z-1/2'
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
C1 C 0.9305(4) 0.9530(8) 0.2115(4) 0.029(2) Uani 1 1 d .
C2 C 0.8909(4) 1.0557(9) 0.1906(5) 0.035(2) Uani 1 1 d .
C3 C 0.8694(4) 1.0712(9) 0.2278(5) 0.037(2) Uani 1 1 d .
H3 H 0.8827 1.0235 0.2677 0.045 Uiso 1 1 calc R
C4 C 0.8279(4) 1.1573(9) 0.2061(5) 0.044(2) Uani 1 1 d .
H4 H 0.8144 1.1732 0.2322 0.053 Uiso 1 1 calc R
C5 C 0.8077(4) 1.2179(8) 0.1456(5) 0.037(2) Uani 1 1 d .
C6 C 0.8278(4) 1.2024(9) 0.1074(5) 0.041(2) Uani 1 1 d .
H6 H 0.8134 1.247 0.0664 0.049 Uiso 1 1 calc R
C7 C 0.8702(4) 1.1184(8) 0.1313(4) 0.032(2) Uani 1 1 d .
H7 H 0.8846 1.1053 0.1059 0.039 Uiso 1 1 calc R
C8 C 1.0784(4) 0.5115(8) 0.2992(4) 0.030(2) Uani 1 1 d .
H8A H 1.0568 0.4402 0.2977 0.037 Uiso 1 1 calc R
H8B H 1.1133 0.4771 0.3154 0.037 Uiso 1 1 calc R
C9 C 1.1053(3) 0.6053(8) 0.2102(4) 0.0277(18) Uani 1 1 d .
C10 C 1.1364(4) 0.5006(10) 0.2203(5) 0.041(2) Uani 1 1 d .
H10 H 1.1252 0.4164 0.2208 0.049 Uiso 1 1 calc R
C11 C 1.1849(4) 0.5208(11) 0.2296(5) 0.046(3) Uani 1 1 d .
H11 H 1.2073 0.4505 0.2386 0.055 Uiso 1 1 calc R
C12 C 1.1996(4) 0.6418(11) 0.2258(5) 0.045(3) Uani 1 1 d .
H12 H 1.2326 0.6553 0.2328 0.054 Uiso 1 1 calc R
C13 C 1.1673(4) 0.7439(12) 0.2119(5) 0.048(2) Uani 1 1 d .
H13 H 1.1775 0.8271 0.2077 0.058 Uiso 1 1 calc R
C14 C 1.1196(4) 0.7265(9) 0.2038(4) 0.038(2) Uani 1 1 d .
H14 H 1.0972 0.7972 0.194 0.046 Uiso 1 1 calc R
C15 C 1.0213(3) 0.4371(8) 0.1610(4) 0.0293(19) Uani 1 1 d .
C16 C 1.0179(4) 0.3158(9) 0.1823(5) 0.034(2) Uani 1 1 d .
H16 H 1.0288 0.3044 0.2274 0.041 Uiso 1 1 calc R
C17 C 0.9991(4) 0.2108(8) 0.1393(5) 0.037(2) Uani 1 1 d .
H17 H 0.9969 0.1293 0.155 0.044 Uiso 1 1 calc R
C18 C 0.9837(4) 0.2257(10) 0.0737(5) 0.046(3) Uani 1 1 d .
H18 H 0.9708 0.1546 0.0442 0.055 Uiso 1 1 calc R
C19 C 0.9871(4) 0.3464(9) 0.0512(5) 0.042(2) Uani 1 1 d .
H19 H 0.9768 0.3571 0.0063 0.05 Uiso 1 1 calc R
C20 C 1.0052(4) 0.4487(9) 0.0938(5) 0.040(2) Uani 1 1 d .
H20 H 1.007 0.53 0.0777 0.048 Uiso 1 1 calc R
C21 C 1.1063(3) 0.5414(8) 0.4328(4) 0.030(2) Uani 1 1 d .
C22 C 1.1159(4) 0.6038(9) 0.4906(5) 0.040(2) Uani 1 1 d .
H22 H 1.1085 0.6924 0.4889 0.048 Uiso 1 1 calc R
C23 C 1.1361(4) 0.5370(9) 0.5493(5) 0.048(3) Uani 1 1 d .
H23 H 1.1416 0.5791 0.5876 0.057 Uiso 1 1 calc R
C24 C 1.1482(4) 0.4090(10) 0.5526(5) 0.045(3) Uani 1 1 d .
H24 H 1.1631 0.3638 0.5936 0.055 Uiso 1 1 calc R
C25 C 1.1390(5) 0.3475(10) 0.4976(5) 0.050(3) Uani 1 1 d .
H25 H 1.1472 0.2592 0.4999 0.06 Uiso 1 1 calc R
C26 C 1.1175(4) 0.4141(9) 0.4374(5) 0.038(2) Uani 1 1 d .
H26 H 1.1106 0.3698 0.3989 0.046 Uiso 1 1 calc R
C27 C 1.1447(3) 0.7235(8) 0.3868(4) 0.030(2) Uani 1 1 d .
C28 C 1.1796(4) 0.6982(9) 0.3706(5) 0.035(2) Uani 1 1 d .
H28 H 1.1732 0.6287 0.3416 0.042 Uiso 1 1 calc R
C29 C 1.2239(4) 0.7719(10) 0.3955(5) 0.046(2) Uani 1 1 d .
H29 H 1.247 0.7546 0.3824 0.055 Uiso 1 1 calc R
C30 C 1.2345(4) 0.8708(10) 0.4394(5) 0.044(3) Uani 1 1 d .
H30 H 1.2646 0.9221 0.4563 0.053 Uiso 1 1 calc R
C31 C 1.2009(4) 0.8949(9) 0.4588(5) 0.044(3) Uani 1 1 d .
H31 H 1.2091 0.9596 0.4909 0.053 Uiso 1 1 calc R
C32 C 1.1554(4) 0.8249(8) 0.4316(4) 0.037(2) Uani 1 1 d .
H32 H 1.1315 0.845 0.443 0.044 Uiso 1 1 calc R
Cl Cl 1.01397(10) 0.8086(2) 0.40936(11) 0.0396(5) Uani 1 1 d .
N N 0.7629(3) 1.3023(8) 0.1207(5) 0.045(2) Uani 1 1 d .
O1 O 0.9454(3) 0.8944(6) 0.2642(3) 0.0332(15) Uani 1 1 d .
O2 O 0.9485(2) 0.9308(5) 0.1754(3) 0.0300(13) Uani 1 1 d .
O3 O 0.7422(3) 1.3072(7) 0.1510(4) 0.0496(18) Uani 1 1 d .
O4 O 0.7468(4) 1.3586(9) 0.0686(4) 0.075(3) Uani 1 1 d .
P1 P 1.04810(10) 0.5791(2) 0.21386(11) 0.0265(5) Uani 1 1 d .
P2 P 1.08451(9) 0.6343(2) 0.35683(11) 0.0266(5) Uani 1 1 d .
Re Re 1.006264(13) 0.75793(3) 0.302046(15) 0.02411(11) Uani 1 1 d .
O5 O 1.1593(3) -0.1538(8) 0.6482(4) 0.066(2) Uani 1 1 d .
C33 C 1.1037(4) -0.1668(11) 0.6102(6) 0.053(3) Uani 1 1 d .
H33A H 1.0921 -0.1875 0.6398 0.064 Uiso 1 1 calc R
H33B H 1.0918 -0.2352 0.5762 0.064 Uiso 1 1 calc R
C34 C 1.0830(4) -0.0386(10) 0.5772(5) 0.046(3) Uani 1 1 d .
H34A H 1.0485 -0.0474 0.5343 0.055 Uiso 1 1 calc R
H34B H 1.0798 0.0206 0.6067 0.055 Uiso 1 1 calc R
C35 C 1.1234(4) 0.0071(10) 0.5661(5) 0.048(3) Uani 1 1 d .
H35A H 1.1326 0.0976 0.5798 0.058 Uiso 1 1 calc R
H35B H 1.1108 -0.0012 0.5185 0.058 Uiso 1 1 calc R
C36 C 1.1696(4) -0.0797(11) 0.6097(6) 0.057(3) Uani 1 1 d .
H36A H 1.1756 -0.1351 0.5814 0.068 Uiso 1 1 calc R
H36B H 1.2013 -0.0279 0.6389 0.068 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.004 0.002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1704 0.1889 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0076 0.004 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0133 0.0073 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1184 0.1127 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.4581 8.3324 '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
O1 C1 O2 123.3(8) . .
O1 C1 C2 117.5(8) . .
O2 C1 C2 119.2(7) . .
C7 C2 C3 120.5(9) . .
C7 C2 C1 120.8(8) . .
C3 C2 C1 117.9(8) . .
C2 C3 C4 120.1(9) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C5 C4 C3 117.6(9) . .
C5 C4 H4 121.2 . .
C3 C4 H4 121.2 . .
C4 C5 C6 123.2(9) . .
C4 C5 N 118.2(9) . .
C6 C5 N 118.6(8) . .
C5 C6 C7 117.9(9) . .
C5 C6 H6 121 . .
C7 C6 H6 121 . .
C2 C7 C6 120.5(8) . .
C2 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
P2 C8 P1 110.5(5) . .
P2 C8 H8A 109.6 . .
P1 C8 H8A 109.6 . .
P2 C8 H8B 109.6 . .
P1 C8 H8B 109.6 . .
H8A C8 H8B 108.1 . .
C14 C9 C10 120.5(8) . .
C14 C9 P1 121.3(7) . .
C10 C9 P1 117.9(7) . .
C9 C10 C11 119.1(9) . .
C9 C10 H10 120.5 . .
C11 C10 H10 120.5 . .
C12 C11 C10 119.9(10) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C11 C12 C13 120.6(9) . .
C11 C12 H12 119.7 . .
C13 C12 H12 119.7 . .
C12 C13 C14 120.5(10) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C9 C14 C13 119.2(10) . .
C9 C14 H14 120.4 . .
C13 C14 H14 120.4 . .
C16 C15 C20 116.9(8) . .
C16 C15 P1 125.5(7) . .
C20 C15 P1 117.6(7) . .
C15 C16 C17 121.8(8) . .
C15 C16 H16 119.1 . .
C17 C16 H16 119.1 . .
C18 C17 C16 119.8(9) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C17 C18 C19 119.6(9) . .
C17 C18 H18 120.2 . .
C19 C18 H18 120.2 . .
C20 C19 C18 120.1(9) . .
C20 C19 H19 120 . .
C18 C19 H19 120 . .
C19 C20 C15 122.0(9) . .
C19 C20 H20 119 . .
C15 C20 H20 119 . .
C26 C21 C22 117.9(8) . .
C26 C21 P2 122.0(7) . .
C22 C21 P2 119.9(7) . .
C23 C22 C21 120.4(9) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C24 120.1(9) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C25 C24 C23 120.2(9) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
C24 C25 C26 119.9(9) . .
C24 C25 H25 120 . .
C26 C25 H25 120 . .
C21 C26 C25 121.4(9) . .
C21 C26 H26 119.3 . .
C25 C26 H26 119.3 . .
C28 C27 C32 118.6(8) . .
C28 C27 P2 125.6(7) . .
C32 C27 P2 115.7(7) . .
C27 C28 C29 121.5(9) . .
C27 C28 H28 119.3 . .
C29 C28 H28 119.3 . .
C30 C29 C28 119.8(9) . .
C30 C29 H29 120.1 . .
C28 C29 H29 120.1 . .
C29 C30 C31 119.9(9) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C32 C31 C30 120.2(9) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C31 C32 C27 119.9(9) . .
C31 C32 H32 120 . .
C27 C32 H32 120 . .
O4 N O3 123.9(9) . .
O4 N C5 117.3(9) . .
O3 N C5 118.8(8) . .
C1 O1 Re 120.0(6) . .
C1 O2 Re 116.4(5) . 6_756
C15 P1 C9 99.1(4) . .
C15 P1 C8 102.4(4) . .
C9 P1 C8 102.0(4) . .
C15 P1 Re 121.2(3) . 6_756
C9 P1 Re 119.1(3) . 6_756
C8 P1 Re 110.2(3) . 6_756
C8 P2 C27 107.7(4) . .
C8 P2 C21 102.3(4) . .
C27 P2 C21 98.7(4) . .
C8 P2 Re 108.7(3) . .
C27 P2 Re 115.9(3) . .
C21 P2 Re 121.9(3) . .
O1 Re O2 80.9(2) . 6_756
O1 Re Re 88.11(16) . 6_756
O2 Re Re 87.87(15) 6_756 6_756
O1 Re P2 169.93(17) . .
O2 Re P2 89.90(16) 6_756 .
Re Re P2 95.69(5) 6_756 .
O1 Re P1 94.50(18) . 6_756
O2 Re P1 171.84(16) 6_756 6_756
Re Re P1 98.77(5) 6_756 6_756
P2 Re P1 94.13(8) . 6_756
O1 Re Cl 81.30(16) . .
O2 Re Cl 83.83(16) 6_756 .
Re Re Cl 167.44(5) 6_756 .
P2 Re Cl 93.71(8) . .
P1 Re Cl 88.82(8) 6_756 .
C36 O5 C33 105.9(8) . .
O5 C33 C34 104.9(9) . .
O5 C33 H33A 110.8 . .
C34 C33 H33A 110.8 . .
O5 C33 H33B 110.8 . .
C34 C33 H33B 110.8 . .
H33A C33 H33B 108.8 . .
C35 C34 C33 103.0(8) . .
C35 C34 H34A 111.2 . .
C33 C34 H34A 111.2 . .
C35 C34 H34B 111.2 . .
C33 C34 H34B 111.2 . .
H34A C34 H34B 109.1 . .
C34 C35 C36 104.2(9) . .
C34 C35 H35A 110.9 . .
C36 C35 H35A 110.9 . .
C34 C35 H35B 110.9 . .
C36 C35 H35B 110.9 . .
H35A C35 H35B 108.9 . .
O5 C36 C35 108.5(9) . .
O5 C36 H36A 110 . .
C35 C36 H36A 110 . .
O5 C36 H36B 110 . .
C35 C36 H36B 110 . .
H36A C36 H36B 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.245(10) .
C1 O2 1.296(10) .
C1 C2 1.492(12) .
C2 C7 1.365(12) .
C2 C3 1.398(12) .
C3 C4 1.409(13) .
C3 H3 0.95 .
C4 C5 1.380(13) .
C4 H4 0.95 .
C5 C6 1.384(13) .
C5 N 1.462(12) .
C6 C7 1.409(13) .
C6 H6 0.95 .
C7 H7 0.95 .
C8 P2 1.824(9) .
C8 P1 1.860(9) .
C8 H8A 0.99 .
C8 H8B 0.99 .
C9 C14 1.380(12) .
C9 C10 1.389(12) .
C9 P1 1.848(9) .
C10 C11 1.406(14) .
C10 H10 0.95 .
C11 C12 1.366(15) .
C11 H11 0.95 .
C12 C13 1.372(15) .
C12 H12 0.95 .
C13 C14 1.393(13) .
C13 H13 0.95 .
C14 H14 0.95 .
C15 C16 1.395(12) .
C15 C20 1.412(12) .
C15 P1 1.826(8) .
C16 C17 1.395(12) .
C16 H16 0.95 .
C17 C18 1.383(13) .
C17 H17 0.95 .
C18 C19 1.402(14) .
C18 H18 0.95 .
C19 C20 1.367(13) .
C19 H19 0.95 .
C20 H20 0.95 .
C21 C26 1.364(13) .
C21 C22 1.413(12) .
C21 P2 1.838(8) .
C22 C23 1.378(12) .
C22 H22 0.95 .
C23 C24 1.381(14) .
C23 H23 0.95 .
C24 C25 1.356(14) .
C24 H24 0.95 .
C25 C26 1.399(12) .
C25 H25 0.95 .
C26 H26 0.95 .
C27 C28 1.371(12) .
C27 C32 1.414(12) .
C27 P2 1.834(9) .
C28 C29 1.386(13) .
C28 H28 0.95 .
C29 C30 1.383(14) .
C29 H29 0.95 .
C30 C31 1.386(14) .
C30 H30 0.95 .
C31 C32 1.385(13) .
C31 H31 0.95 .
C32 H32 0.95 .
Cl Re 2.525(2) .
N O4 1.216(10) .
N O3 1.217(10) .
O1 Re 2.121(6) .
O2 Re 2.162(6) 6_756
P1 Re 2.400(2) 6_756
P2 Re 2.390(2) .
Re O2 2.162(6) 6_756
Re Re 2.3208(9) 6_756
Re P1 2.400(2) 6_756
O5 C36 1.381(12) .
O5 C33 1.434(13) .
C33 C34 1.506(14) .
C33 H33A 0.99 .
C33 H33B 0.99 .
C34 C35 1.503(14) .
C34 H34A 0.99 .
C34 H34B 0.99 .
C35 C36 1.514(14) .
C35 H35A 0.99 .
C35 H35B 0.99 .
C36 H36A 0.99 .
C36 H36B 0.99 .
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_4
O1 C1 C2 C7 -175.8(9) .
O2 C1 C2 C7 5.7(13) .
O1 C1 C2 C3 -6.0(13) .
O2 C1 C2 C3 175.4(9) .
C7 C2 C3 C4 -3.5(15) .
C1 C2 C3 C4 -173.3(9) .
C2 C3 C4 C5 4.2(14) .
C3 C4 C5 C6 -3.2(15) .
C3 C4 C5 N 176.8(9) .
C4 C5 C6 C7 1.4(15) .
N C5 C6 C7 -178.5(8) .
C3 C2 C7 C6 1.7(14) .
C1 C2 C7 C6 171.1(9) .
C5 C6 C7 C2 -0.6(14) .
C14 C9 C10 C11 5.4(13) .
P1 C9 C10 C11 -168.8(7) .
C9 C10 C11 C12 -2.9(14) .
C10 C11 C12 C13 -1.0(15) .
C11 C12 C13 C14 2.3(15) .
C10 C9 C14 C13 -4.1(13) .
P1 C9 C14 C13 169.9(7) .
C12 C13 C14 C9 0.2(14) .
C20 C15 C16 C17 -0.6(13) .
P1 C15 C16 C17 -176.9(7) .
C15 C16 C17 C18 0.6(14) .
C16 C17 C18 C19 0.0(14) .
C17 C18 C19 C20 -0.5(15) .
C18 C19 C20 C15 0.4(15) .
C16 C15 C20 C19 0.1(14) .
P1 C15 C20 C19 176.7(8) .
C26 C21 C22 C23 0.1(15) .
P2 C21 C22 C23 -175.1(8) .
C21 C22 C23 C24 1.6(17) .
C22 C23 C24 C25 -1.9(18) .
C23 C24 C25 C26 0.5(17) .
C22 C21 C26 C25 -1.6(15) .
P2 C21 C26 C25 173.5(8) .
C24 C25 C26 C21 1.3(17) .
C32 C27 C28 C29 -1.9(13) .
P2 C27 C28 C29 179.5(7) .
C27 C28 C29 C30 2.1(14) .
C28 C29 C30 C31 0.6(15) .
C29 C30 C31 C32 -3.5(15) .
C30 C31 C32 C27 3.7(14) .
C28 C27 C32 C31 -1.0(13) .
P2 C27 C32 C31 177.7(7) .
C4 C5 N O4 177.2(10) .
C6 C5 N O4 -2.8(14) .
C4 C5 N O3 -6.5(14) .
C6 C5 N O3 173.4(9) .
O2 C1 O1 Re 3.7(12) .
C2 C1 O1 Re -174.8(6) .
O1 C1 O2 Re 13.2(12) 6_756
C2 C1 O2 Re -168.3(6) 6_756
C16 C15 P1 C9 114.5(8) .
C20 C15 P1 C9 -61.8(8) .
C16 C15 P1 C8 9.9(9) .
C20 C15 P1 C8 -166.3(7) .
C16 C15 P1 Re -113.2(8) 6_756
C20 C15 P1 Re 70.5(8) 6_756
C14 C9 P1 C15 138.8(7) .
C10 C9 P1 C15 -47.1(8) .
C14 C9 P1 C8 -116.3(8) .
C10 C9 P1 C8 57.8(8) .
C14 C9 P1 Re 5.2(8) 6_756
C10 C9 P1 Re 179.3(6) 6_756
P2 C8 P1 C15 -157.0(5) .
P2 C8 P1 C9 100.7(5) .
P2 C8 P1 Re -26.7(5) 6_756
P1 C8 P2 C27 -84.0(5) .
P1 C8 P2 C21 172.5(5) .
P1 C8 P2 Re 42.3(5) .
C28 C27 P2 C8 -2.4(9) .
C32 C27 P2 C8 179.0(6) .
C28 C27 P2 C21 103.6(8) .
C32 C27 P2 C21 -75.0(7) .
C28 C27 P2 Re -124.4(7) .
C32 C27 P2 Re 57.0(7) .
C26 C21 P2 C8 4.7(9) .
C22 C21 P2 C8 179.7(8) .
C26 C21 P2 C27 -105.7(8) .
C22 C21 P2 C27 69.3(8) .
C26 C21 P2 Re 126.3(7) .
C22 C21 P2 Re -58.7(8) .
C1 O1 Re O2 72.4(7) 6_756
C1 O1 Re Re -15.8(6) 6_756
C1 O1 Re P2 96.7(11) .
C1 O1 Re P1 -114.4(6) 6_756
C1 O1 Re Cl 157.5(7) .
C8 P2 Re O1 -149.8(10) .
C27 P2 Re O1 -28.3(10) .
C21 P2 Re O1 91.7(10) .
C8 P2 Re O2 -125.9(3) 6_756
C27 P2 Re O2 -4.4(3) 6_756
C21 P2 Re O2 115.7(4) 6_756
C8 P2 Re Re -38.0(3) 6_756
C27 P2 Re Re 83.5(3) 6_756
C21 P2 Re Re -156.5(4) 6_756
C8 P2 Re P1 61.2(3) 6_756
C27 P2 Re P1 -177.3(3) 6_756
C21 P2 Re P1 -57.2(4) 6_756
C8 P2 Re Cl 150.3(3) .
C27 P2 Re Cl -88.2(3) .
C21 P2 Re Cl 31.9(4) .
C36 O5 C33 C34 -37.9(11) .
O5 C33 C34 C35 31.9(11) .
C33 C34 C35 C36 -14.9(11) .
C33 O5 C36 C35 28.2(12) .
C34 C35 C36 O5 -7.5(13) .
