Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2003

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

loop_
_publ_author_name
'K. Dunbar'
'Stuart L. Bartley'
'Mervin J. Bazile'
'Rodolphe Clarec'
'Xiang Ouyang'
'Hanhua Zhao'

_publ_contact_author_name        'Prof K Dunbar'
_publ_contact_author_address     
;
Department of Chemistry
Texas A & M University
College Station
MI
48824
USA
;

_publ_contact_author_email       DUNBAR@MAIL.CHEM.TAMU.EDU

_publ_section_title              
;
Syntheses, Properties and Structures of Metal-Metal
Bonded Dinuclear Rhenium Complexes Bridged by Organiocyanide Acceptor
Ligands
;

data_sxo57m
_database_code_CSD               209028

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C152 H172 Cl8 N4 O10 P8 Re4'
_chemical_formula_weight         3491.10

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'
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'
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                   12.1888(3)
_cell_length_b                   14.2908(3)
_cell_length_c                   23.3215(6)
_cell_angle_alpha                72.8220(10)
_cell_angle_beta                 81.9380(10)
_cell_angle_gamma                75.7760(10)
_cell_volume                     3752.06(16)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            'dark green'
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1748
_exptl_absorpt_coefficient_mu    3.501
_exptl_absorpt_correction_type   Multiscan
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_T_max  1.00
_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            23479
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0648
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         24.71
_reflns_number_total             12635
_reflns_number_gt                9396
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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 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^)+(0.0571P)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12635
_refine_ls_number_parameters     888
_refine_ls_number_restraints     688
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1062
_refine_ls_wR_factor_gt          0.0972
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_restrained_S_all      0.979
_refine_ls_shift/su_max          0.132
_refine_ls_shift/su_mean         0.004

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 0.53795(2) 0.393095(18) 0.279977(11) 0.02893(9) Uani 1 1 d U . .
Re2 Re 0.67863(2) 0.418957(18) 0.325256(11) 0.02871(9) Uani 1 1 d U . .
P1 P 0.39340(16) 0.54812(13) 0.28805(8) 0.0354(4) Uani 1 1 d U . .
Cl1 Cl 0.38822(15) 0.36056(13) 0.22365(7) 0.0399(4) Uani 1 1 d U . .
Cl3 Cl 0.63913(17) 0.39345(12) 0.43056(7) 0.0418(4) Uani 1 1 d U . .
Cl2 Cl 0.43164(15) 0.32000(12) 0.36982(7) 0.0374(4) Uani 1 1 d U . .
P3 P 0.64861(16) 0.22889(12) 0.26387(8) 0.0347(4) Uani 1 1 d U . .
P2 P 0.59716(16) 0.59555(12) 0.32142(7) 0.0330(4) Uani 1 1 d U . .
Cl4 Cl 0.82360(15) 0.45740(13) 0.24876(8) 0.0417(4) Uani 1 1 d U . .
P4 P 0.79651(16) 0.24918(13) 0.34793(8) 0.0354(4) Uani 1 1 d U . .
N1 N 0.5939(5) 0.4582(4) 0.1935(3) 0.0328(14) Uani 1 1 d U . .
N2 N 0.7669(8) 0.6539(7) 0.0430(3) 0.096(3) Uani 1 1 d U . .
C1 C 0.6123(6) 0.4898(6) 0.1488(4) 0.0409(18) Uani 1 1 d U . .
C2 C 0.6268(7) 0.5354(6) 0.0830(3) 0.052(2) Uani 1 1 d U . .
C3 C 0.7053(8) 0.6011(7) 0.0619(3) 0.063(2) Uani 1 1 d U . .
C4 C 0.5628(7) 0.5177(5) 0.0406(3) 0.0459(19) Uani 1 1 d U . .
C5 C 0.4860(7) 0.4512(5) 0.0608(3) 0.050(2) Uani 1 1 d U . .
H5A H 0.4767 0.4184 0.1025 0.060 Uiso 1 1 calc R . .
C6 C 0.4263(7) 0.4345(6) 0.0213(3) 0.054(2) Uani 1 1 d U . .
H6A H 0.3763 0.3897 0.0357 0.064 Uiso 1 1 calc R . .
C7 C 0.4440(6) 0.6002(5) 0.3396(3) 0.0378(17) Uani 1 1 d U . .
H7A H 0.4305 0.5608 0.3817 0.045 Uiso 1 1 calc R . .
H7B H 0.4024 0.6704 0.3354 0.045 Uiso 1 1 calc R . .
C8 C 0.7966(6) 0.2074(5) 0.2806(3) 0.0400(17) Uani 1 1 d U . .
H8A H 0.8394 0.2457 0.2462 0.048 Uiso 1 1 calc R . .
H8B H 0.8329 0.1352 0.2880 0.048 Uiso 1 1 calc R . .
C9 C 0.2511(6) 0.5348(5) 0.3216(3) 0.0421(18) Uani 1 1 d U . .
C10 C 0.2189(7) 0.5297(6) 0.3818(4) 0.057(2) Uani 1 1 d U . .
H10A H 0.2717 0.5343 0.4067 0.069 Uiso 1 1 calc R . .
C11 C 0.1100(8) 0.5180(7) 0.4065(4) 0.071(3) Uani 1 1 d U . .
H11A H 0.0893 0.5140 0.4478 0.085 Uiso 1 1 calc R . .
C12 C 0.0328(8) 0.5122(7) 0.3702(5) 0.071(3) Uani 1 1 d U . .
H12A H -0.0414 0.5047 0.3865 0.086 Uiso 1 1 calc R . .
C13 C 0.0633(8) 0.5172(6) 0.3108(5) 0.070(3) Uani 1 1 d U . .
H13A H 0.0104 0.5131 0.2859 0.084 Uiso 1 1 calc R . .
C14 C 0.1720(7) 0.5285(6) 0.2871(4) 0.058(2) Uani 1 1 d U . .
H14A H 0.1921 0.5319 0.2458 0.069 Uiso 1 1 calc R . .
C15 C 0.3625(6) 0.6486(5) 0.2186(3) 0.0400(17) Uani 1 1 d U . .
C16 C 0.3353(7) 0.7498(6) 0.2190(4) 0.058(2) Uani 1 1 d U . .
H16A H 0.3373 0.7677 0.2549 0.069 Uiso 1 1 calc R . .
C17 C 0.3052(9) 0.8237(6) 0.1660(4) 0.075(3) Uani 1 1 d U . .
H17A H 0.2851 0.8922 0.1661 0.090 Uiso 1 1 calc R . .
C18 C 0.3041(9) 0.7991(7) 0.1134(4) 0.086(3) Uani 1 1 d U . .
H18A H 0.2861 0.8504 0.0773 0.103 Uiso 1 1 calc R . .
C19 C 0.3294(8) 0.6993(6) 0.1131(4) 0.064(3) Uani 1 1 d U . .
H19A H 0.3258 0.6819 0.0773 0.077 Uiso 1 1 calc R . .
C20 C 0.3599(7) 0.6250(5) 0.1654(3) 0.0456(19) Uani 1 1 d U . .
H20A H 0.3793 0.5567 0.1647 0.055 Uiso 1 1 calc R . .
C21 C 0.6075(6) 0.7051(5) 0.2571(3) 0.0391(17) Uani 1 1 d U . .
C22 C 0.5664(7) 0.8012(5) 0.2658(3) 0.052(2) Uani 1 1 d U . .
H22A H 0.5336 0.8084 0.3041 0.063 Uiso 1 1 calc R . .
C23 C 0.5738(8) 0.8847(6) 0.2188(4) 0.065(3) Uani 1 1 d U . .
H23A H 0.5455 0.9495 0.2248 0.078 Uiso 1 1 calc R . .
C24 C 0.6214(9) 0.8760(6) 0.1634(4) 0.073(3) Uani 1 1 d U . .
H24A H 0.6273 0.9346 0.1317 0.087 Uiso 1 1 calc R . .
C25 C 0.6613(8) 0.7817(6) 0.1530(4) 0.065(3) Uani 1 1 d U . .
H25A H 0.6925 0.7760 0.1142 0.077 Uiso 1 1 calc R . .
C26 C 0.6548(7) 0.6951(5) 0.2007(3) 0.0461(19) Uani 1 1 d U . .
H26A H 0.6825 0.6304 0.1944 0.055 Uiso 1 1 calc R . .
C27 C 0.6426(6) 0.6330(5) 0.3817(3) 0.0328(16) Uani 1 1 d U . .
C28 C 0.5731(7) 0.6443(5) 0.4325(3) 0.0449(19) Uani 1 1 d U . .
H28A H 0.4977 0.6347 0.4366 0.054 Uiso 1 1 calc R . .
C29 C 0.6135(8) 0.6697(6) 0.4779(3) 0.057(2) Uani 1 1 d U . .
H29A H 0.5657 0.6777 0.5127 0.068 Uiso 1 1 calc R . .
C30 C 0.7224(8) 0.6830(6) 0.4718(4) 0.056(2) Uani 1 1 d U . .
H30A H 0.7499 0.7007 0.5025 0.067 Uiso 1 1 calc R . .
C31 C 0.7924(7) 0.6710(6) 0.4215(4) 0.052(2) Uani 1 1 d U . .
H31A H 0.8682 0.6796 0.4178 0.063 Uiso 1 1 calc R . .
C32 C 0.7519(6) 0.6464(5) 0.3763(3) 0.0432(18) Uani 1 1 d U . .
H32A H 0.8000 0.6387 0.3415 0.052 Uiso 1 1 calc R . .
C33 C 0.6636(7) 0.2208(5) 0.1858(3) 0.0434(19) Uani 1 1 d U . .
C34 C 0.7429(8) 0.2651(7) 0.1436(3) 0.065(3) Uani 1 1 d U . .
H34A H 0.7898 0.2997 0.1550 0.078 Uiso 1 1 calc R . .
C35 C 0.7523(10) 0.2577(8) 0.0845(4) 0.090(4) Uani 1 1 d U . .
H35A H 0.8059 0.2872 0.0557 0.109 Uiso 1 1 calc R . .
C36 C 0.6833(12) 0.2073(9) 0.0680(4) 0.097(4) Uani 1 1 d U . .
H36A H 0.6912 0.2009 0.0281 0.117 Uiso 1 1 calc R . .
C37 C 0.6051(11) 0.1676(6) 0.1083(4) 0.090(4) Uani 1 1 d U . .
H37A H 0.5575 0.1340 0.0965 0.107 Uiso 1 1 calc R . .
C38 C 0.5931(9) 0.1750(6) 0.1669(3) 0.064(3) Uani 1 1 d U . .
H38A H 0.5359 0.1483 0.1944 0.077 Uiso 1 1 calc R . .
C39 C 0.5978(7) 0.1161(5) 0.3068(3) 0.0390(17) Uani 1 1 d U . .
C40 C 0.6736(7) 0.0241(5) 0.3273(3) 0.049(2) Uani 1 1 d U . .
H40A H 0.7531 0.0192 0.3190 0.059 Uiso 1 1 calc R . .
C41 C 0.6313(9) -0.0607(6) 0.3599(4) 0.064(3) Uani 1 1 d U . .
H41A H 0.6826 -0.1231 0.3738 0.076 Uiso 1 1 calc R . .
C42 C 0.5174(10) -0.0548(6) 0.3720(4) 0.068(3) Uani 1 1 d U . .
H42A H 0.4900 -0.1126 0.3948 0.081 Uiso 1 1 calc R . .
C43 C 0.4417(8) 0.0352(6) 0.3513(4) 0.065(3) Uani 1 1 d U . .
H43A H 0.3624 0.0387 0.3588 0.078 Uiso 1 1 calc R . .
C44 C 0.4823(7) 0.1211(6) 0.3190(3) 0.0477(19) Uani 1 1 d U . .
H44A H 0.4303 0.1831 0.3054 0.057 Uiso 1 1 calc R . .
C45 C 0.7656(6) 0.1439(5) 0.4113(3) 0.0372(17) Uani 1 1 d U . .
C46 C 0.6567(6) 0.1460(5) 0.4386(3) 0.0391(17) Uani 1 1 d U . .
H46A H 0.5990 0.2049 0.4273 0.047 Uiso 1 1 calc R . .
C47 C 0.6312(7) 0.0617(5) 0.4829(3) 0.048(2) Uani 1 1 d U . .
H47A H 0.5560 0.0619 0.5006 0.058 Uiso 1 1 calc R . .
C48 C 0.7188(8) -0.0226(6) 0.5005(4) 0.063(2) Uani 1 1 d U . .
H48A H 0.7033 -0.0795 0.5311 0.076 Uiso 1 1 calc R . .
C49 C 0.8266(8) -0.0243(6) 0.4740(4) 0.068(3) Uani 1 1 d U . .
H49A H 0.8848 -0.0826 0.4860 0.082 Uiso 1 1 calc R . .
C50 C 0.8516(7) 0.0586(6) 0.4298(4) 0.056(2) Uani 1 1 d U . .
H50A H 0.9269 0.0574 0.4121 0.068 Uiso 1 1 calc R . .
C51 C 0.9441(7) 0.2492(5) 0.3570(4) 0.0467(19) Uani 1 1 d U . .
C52 C 1.0323(7) 0.2424(6) 0.3137(4) 0.061(2) Uani 1 1 d U . .
H52A H 1.0196 0.2350 0.2762 0.074 Uiso 1 1 calc R . .
C53 C 1.1404(8) 0.2463(7) 0.3247(6) 0.083(3) Uani 1 1 d U . .
H53A H 1.2015 0.2401 0.2950 0.099 Uiso 1 1 calc R . .
C54 C 1.1589(9) 0.2592(7) 0.3784(6) 0.090(4) Uani 1 1 d U . .
H54A H 1.2319 0.2642 0.3853 0.109 Uiso 1 1 calc R . .
C55 C 1.0733(9) 0.2646(7) 0.4209(5) 0.083(3) Uani 1 1 d U . .
H55A H 1.0877 0.2701 0.4586 0.099 Uiso 1 1 calc R . .
C56 C 0.9625(7) 0.2623(6) 0.4113(4) 0.058(2) Uani 1 1 d U . .
H56A H 0.9019 0.2695 0.4412 0.070 Uiso 1 1 calc R . .
O1 O 0.2958(6) 0.8169(5) 0.3619(3) 0.088(2) Uani 1 1 d DU . .
C57 C 0.2385(10) 0.7925(8) 0.4198(4) 0.104(4) Uani 1 1 d DU . .
H57A H 0.2843 0.7969 0.4504 0.125 Uiso 1 1 calc R . .
H57B H 0.2268 0.7231 0.4301 0.125 Uiso 1 1 calc R . .
C58 C 0.1322(9) 0.8612(9) 0.4192(5) 0.107(4) Uani 1 1 d DU . .
H58A H 0.1159 0.8830 0.4566 0.128 Uiso 1 1 calc R . .
H58B H 0.0703 0.8303 0.4153 0.128 Uiso 1 1 calc R . .
C59 C 0.1434(10) 0.9474(8) 0.3661(5) 0.099(4) Uani 1 1 d DU . .
H59A H 0.0706 0.9769 0.3469 0.119 Uiso 1 1 calc R . .
H59B H 0.1679 1.0001 0.3776 0.119 Uiso 1 1 calc R . .
C60 C 0.2301(10) 0.9037(8) 0.3256(4) 0.093(3) Uani 1 1 d DU . .
H60A H 0.1943 0.8864 0.2957 0.112 Uiso 1 1 calc R . .
H60B H 0.2782 0.9518 0.3039 0.112 Uiso 1 1 calc R . .
O2 O 0.8930(16) 0.367(2) -0.0423(6) 0.270(10) Uani 1 1 d DU . .
C61 C 0.974(2) 0.3123(14) -0.0766(13) 0.280(14) Uani 1 1 d DU . .
H61A H 0.9497 0.2528 -0.0793 0.336 Uiso 1 1 calc R . .
H61B H 1.0490 0.2903 -0.0591 0.336 Uiso 1 1 calc R . .
C62 C 0.9793(19) 0.3826(19) -0.1335(7) 0.219(11) Uani 1 1 d DU . .
H62A H 0.9322 0.3704 -0.1607 0.263 Uiso 1 1 calc R . .
H62B H 1.0586 0.3746 -0.1513 0.263 Uiso 1 1 calc R . .
C63 C 0.939(2) 0.4830(14) -0.1274(10) 0.223(11) Uani 1 1 d DU . .
H63A H 1.0015 0.5188 -0.1352 0.267 Uiso 1 1 calc R . .
H63B H 0.8795 0.5216 -0.1556 0.267 Uiso 1 1 calc R . .
C64 C 0.894(3) 0.4692(18) -0.0684(13) 0.37(2) Uani 1 1 d DU . .
H64A H 0.8162 0.5102 -0.0671 0.444 Uiso 1 1 calc R . .
H64B H 0.9410 0.4910 -0.0455 0.444 Uiso 1 1 calc R . .
O3 O 1.238(2) 0.2291(18) 0.1335(10) 0.337(12) Uani 1 1 d DU . .
C65 C 1.2645(18) 0.1294(16) 0.1749(11) 0.234(12) Uani 1 1 d DU . .
H65A H 1.3278 0.0848 0.1580 0.281 Uiso 1 1 calc R . .
H65B H 1.2840 0.1319 0.2142 0.281 Uiso 1 1 calc R . .
C66 C 1.164(2) 0.0985(12) 0.1804(11) 0.246(13) Uani 1 1 d DU . .
H66A H 1.1507 0.0564 0.2217 0.295 Uiso 1 1 calc R . .
H66B H 1.1673 0.0583 0.1519 0.295 Uiso 1 1 calc R . .
C67 C 1.0727(13) 0.1870(18) 0.1672(9) 0.184(7) Uani 1 1 d DU . .
H67A H 1.0044 0.1719 0.1566 0.221 Uiso 1 1 calc R . .
H67B H 1.0522 0.2174 0.2014 0.221 Uiso 1 1 calc R . .
C68 C 1.123(2) 0.248(3) 0.1184(13) 0.46(3) Uani 1 1 d DU . .
H68A H 1.0852 0.3192 0.1130 0.557 Uiso 1 1 calc R . .
H68B H 1.1200 0.2292 0.0811 0.557 Uiso 1 1 calc R . .
O4 O 0.9418(8) 0.9526(8) 0.2620(5) 0.124(3) Uani 1 1 d U . .
C69 C 0.9080(17) 0.9742(11) 0.2039(7) 0.162(7) Uani 1 1 d U . .
H69A H 0.9455 1.0262 0.1761 0.195 Uiso 1 1 calc R . .
H69B H 0.8248 0.9999 0.2035 0.195 Uiso 1 1 calc R . .
C70 C 0.9393(17) 0.8843(17) 0.1854(8) 0.183(8) Uani 1 1 d U . .
H70A H 1.0176 0.8755 0.1662 0.219 Uiso 1 1 calc R . .
H70B H 0.8865 0.8838 0.1569 0.219 Uiso 1 1 calc R . .
C71 C 0.931(2) 0.8090(13) 0.2407(10) 0.221(11) Uani 1 1 d U . .
H71A H 0.8557 0.7915 0.2468 0.266 Uiso 1 1 calc R . .
H71B H 0.9901 0.7477 0.2401 0.266 Uiso 1 1 calc R . .
C72 C 0.9460(15) 0.8468(13) 0.2860(7) 0.151(6) Uani 1 1 d U . .
H72A H 1.0202 0.8123 0.3028 0.182 Uiso 1 1 calc R . .
H72B H 0.8855 0.8355 0.3188 0.182 Uiso 1 1 calc R . .
O5 O 0.609(2) 0.0341(16) 0.0109(8) 0.139(8) Uani 0.50 1 d PDU A -1
C73 C 0.657(3) -0.055(2) -0.0077(14) 0.171(17) Uani 0.50 1 d PDU A -1
H73A H 0.7019 -0.0403 -0.0467 0.205 Uiso 0.50 1 calc PR A -1
H73B H 0.7052 -0.1054 0.0227 0.205 Uiso 0.50 1 calc PR A -1
C74 C 0.562(4) -0.089(3) -0.013(3) 0.35(5) Uani 0.50 1 d PDU A -1
H74A H 0.5590 -0.1530 0.0180 0.425 Uiso 0.50 1 calc PR A -1
H74B H 0.5666 -0.1014 -0.0531 0.425 Uiso 0.50 1 calc PR A -1
C75 C 0.459(3) -0.014(4) -0.006(3) 0.33(4) Uani 0.50 1 d PDU A -1
H75A H 0.4084 -0.0011 -0.0386 0.394 Uiso 0.50 1 calc PR A -1
H75B H 0.4167 -0.0371 0.0333 0.394 Uiso 0.50 1 calc PR A -1
C76 C 0.498(3) 0.072(3) -0.0089(16) 0.17(2) Uani 0.50 1 d PDU A -1
H76A H 0.4487 0.1103 0.0178 0.209 Uiso 0.50 1 calc PR A -1
H76B H 0.4989 0.1159 -0.0505 0.209 Uiso 0.50 1 calc PR A -1
O6 O 1.059(6) -0.041(4) -0.023(4) 0.34(4) Uani 0.50 1 d PDU B -1
C77 C 0.953(4) 0.020(4) -0.011(3) 0.25(4) Uani 0.50 1 d PDU B -1
H77A H 0.9047 0.0379 -0.0454 0.306 Uiso 0.50 1 calc PR B -1
H77B H 0.9124 -0.0141 0.0258 0.306 Uiso 0.50 1 calc PR B -1
C78 C 0.981(4) 0.105(4) -0.005(4) 0.41(6) Uani 0.50 1 d PDU B -1
H78A H 0.9316 0.1283 0.0283 0.487 Uiso 0.50 1 calc PR B -1
H78B H 0.9700 0.1603 -0.0422 0.487 Uiso 0.50 1 calc PR B -1
C79 C 1.100(5) 0.080(5) 0.010(3) 0.31(3) Uani 0.50 1 d PDU B -1
H79A H 1.1348 0.1393 -0.0063 0.371 Uiso 0.50 1 calc PR B -1
H79B H 1.1069 0.0541 0.0534 0.371 Uiso 0.50 1 calc PR B -1
C80 C 1.147(3) 0.006(4) -0.020(2) 0.22(3) Uani 0.50 1 d PDU B -1
H80A H 1.2100 -0.0427 0.0020 0.261 Uiso 0.50 1 calc PR B -1
H80B H 1.1776 0.0371 -0.0613 0.261 Uiso 0.50 1 calc PR B -1

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 0.03515(18) 0.02581(15) 0.02844(15) -0.00885(11) -0.00870(12) -0.00600(12)
Re2 0.03539(18) 0.02491(15) 0.02770(15) -0.00594(11) -0.00988(12) -0.00717(12)
P1 0.0394(11) 0.0321(10) 0.0380(10) -0.0120(8) -0.0134(8) -0.0051(8)
Cl1 0.0435(11) 0.0419(10) 0.0400(9) -0.0126(8) -0.0102(8) -0.0136(8)
Cl3 0.0627(13) 0.0350(9) 0.0296(9) -0.0061(7) -0.0105(8) -0.0134(9)
Cl2 0.0385(10) 0.0397(9) 0.0367(9) -0.0117(7) -0.0049(8) -0.0106(8)
P3 0.0453(12) 0.0258(9) 0.0336(9) -0.0093(7) -0.0056(8) -0.0059(8)
P2 0.0449(12) 0.0270(9) 0.0300(9) -0.0091(7) -0.0115(8) -0.0065(8)
Cl4 0.0382(10) 0.0413(10) 0.0427(10) -0.0040(8) -0.0037(8) -0.0117(8)
P4 0.0362(11) 0.0268(9) 0.0405(10) -0.0035(8) -0.0101(8) -0.0049(8)
N1 0.051(4) 0.023(3) 0.030(3) -0.002(2) -0.024(3) -0.012(3)
N2 0.130(8) 0.125(8) 0.062(5) -0.023(5) 0.005(5) -0.091(7)
C1 0.036(4) 0.046(5) 0.053(5) -0.029(4) -0.007(4) -0.010(4)
C2 0.067(6) 0.058(5) 0.032(4) -0.010(4) -0.004(4) -0.019(4)
C3 0.083(7) 0.078(6) 0.038(5) -0.008(4) -0.006(4) -0.043(6)
C4 0.054(5) 0.048(5) 0.042(4) -0.017(4) -0.009(4) -0.015(4)
C5 0.073(6) 0.048(5) 0.030(4) -0.009(3) -0.007(4) -0.017(4)
C6 0.073(6) 0.047(5) 0.041(4) -0.007(4) -0.006(4) -0.019(4)
C7 0.050(5) 0.035(4) 0.034(4) -0.014(3) -0.016(3) -0.006(3)
C8 0.042(5) 0.035(4) 0.040(4) -0.010(3) 0.005(3) -0.008(3)
C9 0.048(5) 0.030(4) 0.049(4) -0.015(3) -0.010(4) -0.002(3)
C10 0.045(5) 0.063(5) 0.064(6) -0.020(4) 0.004(4) -0.011(4)
C11 0.053(6) 0.072(6) 0.078(7) -0.018(5) 0.005(5) -0.003(5)
C12 0.043(6) 0.061(6) 0.099(8) -0.017(5) 0.008(6) -0.004(5)
C13 0.046(6) 0.062(6) 0.106(8) -0.020(5) -0.019(6) -0.014(5)
C14 0.054(6) 0.061(5) 0.067(6) -0.023(4) -0.005(5) -0.021(5)
C15 0.044(5) 0.034(4) 0.043(4) -0.005(3) -0.021(3) -0.005(3)
C16 0.072(6) 0.043(5) 0.058(5) -0.018(4) -0.021(4) 0.001(4)
C17 0.113(9) 0.039(5) 0.074(6) -0.010(4) -0.045(6) -0.004(5)
C18 0.121(10) 0.069(7) 0.047(5) 0.014(5) -0.036(6) -0.001(6)
C19 0.099(8) 0.041(5) 0.048(5) -0.005(4) -0.027(5) -0.004(5)
C20 0.057(5) 0.043(4) 0.042(4) -0.011(3) -0.019(4) -0.013(4)
C21 0.055(5) 0.027(4) 0.039(4) -0.005(3) -0.017(3) -0.012(3)
C22 0.081(6) 0.030(4) 0.049(5) -0.013(3) -0.010(4) -0.011(4)
C23 0.109(8) 0.036(5) 0.052(5) -0.012(4) -0.014(5) -0.014(5)
C24 0.127(9) 0.026(4) 0.057(5) 0.009(4) -0.015(6) -0.020(5)
C25 0.102(8) 0.039(5) 0.044(5) -0.002(4) 0.002(5) -0.015(5)
C26 0.062(5) 0.033(4) 0.042(4) -0.009(3) -0.008(4) -0.007(4)
C27 0.038(4) 0.030(4) 0.032(4) -0.008(3) -0.013(3) -0.005(3)
C28 0.048(5) 0.049(4) 0.045(4) -0.022(4) -0.012(4) -0.009(4)
C29 0.074(7) 0.067(6) 0.042(4) -0.023(4) -0.007(4) -0.025(5)
C30 0.075(6) 0.053(5) 0.050(5) -0.022(4) -0.025(5) -0.014(5)
C31 0.044(5) 0.055(5) 0.064(5) -0.022(4) -0.017(4) -0.007(4)
C32 0.046(5) 0.047(4) 0.041(4) -0.018(3) -0.005(4) -0.008(4)
C33 0.071(6) 0.020(3) 0.033(4) -0.006(3) -0.006(4) 0.002(4)
C34 0.074(7) 0.075(6) 0.036(4) -0.015(4) 0.008(4) -0.003(5)
C35 0.100(9) 0.098(8) 0.046(6) -0.012(6) 0.010(6) 0.010(7)
C36 0.159(13) 0.086(8) 0.040(6) -0.033(6) -0.016(7) 0.010(8)
C37 0.183(13) 0.047(5) 0.048(6) -0.016(4) -0.037(7) -0.022(7)
C38 0.114(8) 0.046(5) 0.039(4) -0.015(4) -0.013(5) -0.024(5)
C39 0.061(5) 0.030(4) 0.031(4) -0.013(3) -0.005(4) -0.014(4)
C40 0.070(6) 0.042(4) 0.042(4) -0.013(3) -0.013(4) -0.015(4)
C41 0.102(8) 0.029(4) 0.056(5) -0.009(4) -0.004(5) -0.012(5)
C42 0.117(9) 0.048(5) 0.051(5) -0.020(4) 0.013(6) -0.044(6)
C43 0.085(7) 0.048(5) 0.072(6) -0.028(4) 0.012(5) -0.028(5)
C44 0.063(6) 0.042(4) 0.048(4) -0.019(4) -0.002(4) -0.020(4)
C45 0.048(5) 0.025(4) 0.037(4) -0.004(3) -0.013(3) -0.006(3)
C46 0.044(5) 0.035(4) 0.040(4) -0.011(3) -0.007(3) -0.009(3)
C47 0.055(5) 0.045(5) 0.050(5) -0.018(4) 0.006(4) -0.020(4)
C48 0.092(8) 0.032(4) 0.056(5) 0.003(4) -0.003(5) -0.016(5)
C49 0.071(7) 0.035(5) 0.070(6) 0.014(4) -0.004(5) 0.006(4)
C50 0.047(5) 0.044(5) 0.063(5) 0.000(4) -0.003(4) 0.001(4)
C51 0.039(5) 0.035(4) 0.060(5) 0.003(4) -0.012(4) -0.010(3)
C52 0.037(5) 0.057(5) 0.079(6) 0.001(4) -0.007(5) -0.013(4)
C53 0.037(6) 0.056(6) 0.131(10) 0.007(6) -0.006(6) -0.006(5)
C54 0.041(6) 0.071(7) 0.137(11) 0.029(7) -0.033(7) -0.025(5)
C55 0.071(7) 0.071(7) 0.107(8) 0.014(6) -0.055(7) -0.036(6)
C56 0.050(5) 0.057(5) 0.066(6) 0.003(4) -0.017(4) -0.023(4)
O1 0.097(6) 0.071(4) 0.076(5) -0.023(4) -0.005(4) 0.021(4)
C57 0.124(11) 0.092(8) 0.071(7) -0.016(6) -0.007(7) 0.015(8)
C58 0.091(9) 0.115(10) 0.082(8) -0.010(7) 0.018(7) 0.003(8)
C59 0.112(10) 0.084(8) 0.091(8) -0.037(7) 0.001(7) 0.010(7)
C60 0.113(10) 0.078(7) 0.081(7) -0.030(6) -0.014(7) 0.003(7)
O2 0.246(19) 0.37(3) 0.162(12) -0.035(15) 0.076(12) -0.111(19)
C61 0.31(4) 0.25(3) 0.31(4) -0.08(3) 0.05(3) -0.17(3)
C62 0.23(2) 0.27(3) 0.115(14) 0.026(17) 0.006(14) -0.08(2)
C63 0.27(3) 0.154(18) 0.21(2) -0.062(17) 0.056(19) -0.009(19)
C64 0.45(4) 0.21(3) 0.34(4) -0.07(3) 0.27(3) -0.04(3)
O3 0.39(3) 0.33(3) 0.35(3) -0.03(2) -0.13(2) -0.19(2)
C65 0.27(3) 0.142(18) 0.27(3) 0.055(16) -0.11(2) -0.086(19)
C66 0.24(3) 0.090(13) 0.37(3) -0.015(17) 0.06(2) -0.069(17)
C67 0.152(17) 0.22(2) 0.20(2) -0.078(17) -0.024(16) -0.044(17)
C68 0.40(5) 0.65(6) 0.24(3) 0.22(3) -0.12(3) -0.31(5)
O4 0.138(8) 0.126(8) 0.126(8) -0.039(6) -0.002(6) -0.058(7)
C69 0.27(2) 0.092(11) 0.098(11) -0.025(9) 0.001(13) 0.001(12)
C70 0.23(2) 0.20(2) 0.144(16) -0.081(16) 0.010(14) -0.060(17)
C71 0.42(4) 0.120(15) 0.155(18) -0.025(13) -0.04(2) -0.112(19)
C72 0.170(16) 0.122(14) 0.139(14) 0.004(11) -0.008(12) -0.040(12)
O5 0.22(2) 0.137(16) 0.077(11) -0.013(11) 0.006(14) -0.106(18)
C73 0.28(5) 0.13(3) 0.09(2) -0.04(2) -0.02(3) -0.02(3)
C74 0.38(8) 0.39(8) 0.44(8) -0.25(6) -0.22(6) -0.10(6)
C75 0.26(6) 0.37(7) 0.38(7) 0.08(6) -0.20(6) -0.23(6)
C76 0.16(3) 0.33(6) 0.068(18) -0.02(3) -0.03(2) -0.14(4)
O6 0.36(7) 0.25(6) 0.41(7) -0.14(5) 0.11(6) -0.06(5)
C77 0.22(6) 0.10(3) 0.31(7) 0.06(4) 0.06(5) 0.03(3)
C78 0.26(7) 0.39(9) 0.44(9) -0.09(7) 0.09(7) 0.06(6)
C79 0.29(7) 0.37(7) 0.37(6) -0.23(6) -0.10(5) -0.04(5)
C80 0.24(5) 0.13(3) 0.21(4) -0.01(3) 0.07(4) 0.03(3)

_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 N1 2.054(6) . ?
Re1 Re2 2.2895(4) . ?
Re1 Cl2 2.4024(16) . ?
Re1 P1 2.5066(18) . ?
Re1 P3 2.5080(17) . ?
Re1 Cl1 2.5927(17) . ?
Re2 Cl4 2.3708(17) . ?
Re2 Cl3 2.3709(16) . ?
Re2 P4 2.4440(17) . ?
Re2 P2 2.4542(17) . ?
P1 C7 1.828(6) . ?
P1 C9 1.830(8) . ?
P1 C15 1.833(7) . ?
P3 C39 1.830(7) . ?
P3 C8 1.831(7) . ?
P3 C33 1.840(7) . ?
P2 C21 1.837(7) . ?
P2 C27 1.837(6) . ?
P2 C7 1.845(7) . ?
P4 C8 1.838(7) . ?
P4 C51 1.841(8) . ?
P4 C45 1.843(7) . ?
N1 C1 1.023(8) . ?
N2 C3 1.148(10) . ?
C1 C2 1.484(10) . ?
C2 C3 1.440(11) . ?
C2 C4 1.453(10) . ?
C4 C6 1.405(10) 2_665 ?
C4 C5 1.432(10) . ?
C5 C6 1.356(10) . ?
C6 C4 1.405(10) 2_665 ?
C9 C14 1.374(10) . ?
C9 C10 1.390(10) . ?
C10 C11 1.399(11) . ?
C11 C12 1.382(12) . ?
C12 C13 1.367(12) . ?
C13 C14 1.390(11) . ?
C15 C20 1.385(9) . ?
C15 C16 1.405(10) . ?
C16 C17 1.395(11) . ?
C17 C18 1.374(11) . ?
C18 C19 1.385(12) . ?
C19 C20 1.386(10) . ?
C21 C26 1.393(9) . ?
C21 C22 1.407(9) . ?
C22 C23 1.373(10) . ?
C23 C24 1.367(11) . ?
C24 C25 1.396(11) . ?
C25 C26 1.409(9) . ?
C27 C32 1.375(10) . ?
C27 C28 1.383(9) . ?
C28 C29 1.399(9) . ?
C29 C30 1.369(11) . ?
C30 C31 1.378(11) . ?
C31 C32 1.391(10) . ?
C33 C38 1.383(11) . ?
C33 C34 1.403(11) . ?
C34 C35 1.399(12) . ?
C35 C36 1.388(15) . ?
C36 C37 1.347(15) . ?
C37 C38 1.387(11) . ?
C39 C44 1.384(10) . ?
C39 C40 1.403(10) . ?
C40 C41 1.403(10) . ?
C41 C42 1.364(12) . ?
C42 C43 1.383(12) . ?
C43 C44 1.403(10) . ?
C45 C46 1.386(10) . ?
C45 C50 1.400(10) . ?
C46 C47 1.406(9) . ?
C47 C48 1.400(11) . ?
C48 C49 1.369(12) . ?
C49 C50 1.388(10) . ?
C51 C52 1.374(11) . ?
C51 C56 1.388(11) . ?
C52 C53 1.395(12) . ?
C53 C54 1.374(14) . ?
C54 C55 1.339(15) . ?
C55 C56 1.409(11) . ?
O1 C60 1.407(10) . ?
O1 C57 1.417(10) . ?
C57 C58 1.420(12) . ?
C58 C59 1.485(12) . ?
C59 C60 1.464(12) . ?
O2 C64 1.413(16) . ?
O2 C61 1.412(16) . ?
C61 C62 1.412(17) . ?
C62 C63 1.441(16) . ?
C63 C64 1.380(17) . ?
O3 C68 1.439(17) . ?
O3 C65 1.455(15) . ?
C65 C66 1.379(16) . ?
C66 C67 1.451(15) . ?
C67 C68 1.380(17) . ?
O4 C69 1.395(15) . ?
O4 C72 1.440(15) . ?
C69 C70 1.423(19) . ?
C70 C71 1.42(2) . ?
C71 C72 1.373(18) . ?
O5 C76 1.425(19) . ?
O5 C73 1.429(16) . ?
C73 C74 1.393(19) . ?
C74 C75 1.459(19) . ?
C75 C76 1.405(19) . ?
O6 C77 1.417(18) . ?
O6 C80 1.421(19) . ?
C77 C78 1.402(19) . ?
C78 C79 1.457(19) . ?
C79 C80 1.397(19) . ?

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
N1 Re1 Re2 95.83(14) . . ?
N1 Re1 Cl2 166.07(15) . . ?
Re2 Re1 Cl2 97.71(4) . . ?
N1 Re1 P1 93.39(16) . . ?
Re2 Re1 P1 97.35(4) . . ?
Cl2 Re1 P1 81.68(6) . . ?
N1 Re1 P3 86.79(15) . . ?
Re2 Re1 P3 94.80(4) . . ?
Cl2 Re1 P3 95.28(6) . . ?
P1 Re1 P3 167.76(6) . . ?
N1 Re1 Cl1 81.52(15) . . ?
Re2 Re1 Cl1 176.41(4) . . ?
Cl2 Re1 Cl1 85.08(5) . . ?
P1 Re1 Cl1 85.26(6) . . ?
P3 Re1 Cl1 82.66(6) . . ?
Re1 Re2 Cl4 106.60(4) . . ?
Re1 Re2 Cl3 112.87(5) . . ?
Cl4 Re2 Cl3 140.47(6) . . ?
Re1 Re2 P4 98.99(4) . . ?
Cl4 Re2 P4 84.66(6) . . ?
Cl3 Re2 P4 87.11(6) . . ?
Re1 Re2 P2 97.34(4) . . ?
Cl4 Re2 P2 93.60(6) . . ?
Cl3 Re2 P2 83.75(6) . . ?
P4 Re2 P2 163.39(6) . . ?
C7 P1 C9 102.8(3) . . ?
C7 P1 C15 107.6(3) . . ?
C9 P1 C15 102.1(3) . . ?
C7 P1 Re1 107.1(2) . . ?
C9 P1 Re1 118.4(2) . . ?
C15 P1 Re1 117.5(2) . . ?
C39 P3 C8 106.6(3) . . ?
C39 P3 C33 103.6(3) . . ?
C8 P3 C33 102.1(3) . . ?
C39 P3 Re1 117.2(2) . . ?
C8 P3 Re1 110.5(2) . . ?
C33 P3 Re1 115.4(2) . . ?
C21 P2 C27 101.1(3) . . ?
C21 P2 C7 105.7(3) . . ?
C27 P2 C7 105.0(3) . . ?
C21 P2 Re2 126.8(2) . . ?
C27 P2 Re2 112.4(2) . . ?
C7 P2 Re2 103.9(2) . . ?
C8 P4 C51 107.7(4) . . ?
C8 P4 C45 104.5(3) . . ?
C51 P4 C45 103.0(3) . . ?
C8 P4 Re2 104.5(2) . . ?
C51 P4 Re2 111.5(2) . . ?
C45 P4 Re2 124.6(2) . . ?
C1 N1 Re1 172.7(6) . . ?
N1 C1 C2 174.0(8) . . ?
C3 C2 C4 120.2(6) . . ?
C3 C2 C1 117.6(7) . . ?
C4 C2 C1 122.1(7) . . ?
N2 C3 C2 177.5(9) . . ?
C6 C4 C5 118.0(7) 2_665 . ?
C6 C4 C2 121.2(7) 2_665 . ?
C5 C4 C2 120.8(6) . . ?
C6 C5 C4 120.8(7) . . ?
C5 C6 C4 121.2(7) . 2_665 ?
P1 C7 P2 108.8(3) . . ?
P3 C8 P4 107.6(3) . . ?
C14 C9 C10 117.6(7) . . ?
C14 C9 P1 120.1(6) . . ?
C10 C9 P1 122.3(6) . . ?
C9 C10 C11 121.1(9) . . ?
C12 C11 C10 119.4(9) . . ?
C13 C12 C11 120.0(9) . . ?
C12 C13 C14 119.8(9) . . ?
C9 C14 C13 122.0(9) . . ?
C20 C15 C16 119.1(6) . . ?
C20 C15 P1 119.9(5) . . ?
C16 C15 P1 120.9(6) . . ?
C17 C16 C15 119.0(7) . . ?
C18 C17 C16 121.1(8) . . ?
C17 C18 C19 119.9(8) . . ?
C18 C19 C20 119.7(8) . . ?
C15 C20 C19 121.1(7) . . ?
C26 C21 C22 119.8(6) . . ?
C26 C21 P2 121.8(5) . . ?
C22 C21 P2 118.4(5) . . ?
C23 C22 C21 119.9(7) . . ?
C24 C23 C22 121.0(7) . . ?
C23 C24 C25 120.6(7) . . ?
C24 C25 C26 119.3(7) . . ?
C21 C26 C25 119.4(7) . . ?
C32 C27 C28 119.5(6) . . ?
C32 C27 P2 117.7(5) . . ?
C28 C27 P2 122.7(5) . . ?
C27 C28 C29 120.2(8) . . ?
C30 C29 C28 119.6(8) . . ?
C29 C30 C31 120.5(7) . . ?
C30 C31 C32 119.9(8) . . ?
C27 C32 C31 120.3(7) . . ?
C38 C33 C34 118.8(7) . . ?
C38 C33 P3 120.4(6) . . ?
C34 C33 P3 120.7(6) . . ?
C35 C34 C33 119.3(10) . . ?
C36 C35 C34 120.1(10) . . ?
C37 C36 C35 120.1(9) . . ?
C36 C37 C38 120.9(10) . . ?
C33 C38 C37 120.6(9) . . ?
C44 C39 C40 119.1(7) . . ?
C44 C39 P3 119.6(6) . . ?
C40 C39 P3 121.2(6) . . ?
C41 C40 C39 119.5(8) . . ?
C42 C41 C40 120.8(8) . . ?
C41 C42 C43 120.1(8) . . ?
C42 C43 C44 119.9(9) . . ?
C39 C44 C43 120.4(8) . . ?
C46 C45 C50 119.7(6) . . ?
C46 C45 P4 120.7(5) . . ?
C50 C45 P4 119.6(6) . . ?
C45 C46 C47 120.5(7) . . ?
C48 C47 C46 118.6(7) . . ?
C49 C48 C47 120.9(7) . . ?
C48 C49 C50 120.5(8) . . ?
C49 C50 C45 119.8(8) . . ?
C52 C51 C56 119.7(8) . . ?
C52 C51 P4 124.9(7) . . ?
C56 C51 P4 115.3(6) . . ?
C51 C52 C53 120.2(9) . . ?
C54 C53 C52 120.2(10) . . ?
C55 C54 C53 119.6(10) . . ?
C54 C55 C56 121.9(10) . . ?
C51 C56 C55 118.3(9) . . ?
C60 O1 C57 109.0(7) . . ?
O1 C57 C58 108.4(8) . . ?
C57 C58 C59 105.2(8) . . ?
C60 C59 C58 104.0(8) . . ?
O1 C60 C59 106.5(8) . . ?
C64 O2 C61 106.7(14) . . ?
O2 C61 C62 103.0(15) . . ?
C61 C62 C63 110.0(15) . . ?
C64 C63 C62 104.0(14) . . ?
C63 C64 O2 109.5(16) . . ?
C68 O3 C65 107.7(15) . . ?
C66 C65 O3 101.9(13) . . ?
C65 C66 C67 108.3(14) . . ?
C68 C67 C66 100.5(16) . . ?
C67 C68 O3 103.8(15) . . ?
C69 O4 C72 103.7(11) . . ?
O4 C69 C70 108.1(14) . . ?
C69 C70 C71 102.6(15) . . ?
C72 C71 C70 107.6(15) . . ?
C71 C72 O4 108.8(13) . . ?
C76 O5 C73 107.6(17) . . ?
C74 C73 O5 103.8(17) . . ?
C73 C74 C75 109.8(17) . . ?
C76 C75 C74 104.6(18) . . ?
C75 C76 O5 104.3(19) . . ?
C77 O6 C80 109.2(18) . . ?
C78 C77 O6 103.7(18) . . ?
C77 C78 C79 109(2) . . ?
C80 C79 C78 102(2) . . ?
C79 C80 O6 107(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
P1 Re1 Re2 P2 -14.10(6) . . . . ?
P3 Re1 Re2 P4 -15.71(6) . . . . ?
Cl2 Re1 Re2 Cl3 -10.36(6) . . . . ?
N1 Re1 Re2 Cl4 -15.90(16) . . . . ?
C1 C2 C4 C5 -2.7(12) . . . . ?
C3 C2 C4 C6 -1.6(12) . . . 2_665 ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        24.71
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         2.565
_refine_diff_density_min         -1.002
_refine_diff_density_rms         0.132

data_sxo50m
_database_code_CSD               209029

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C150 H176 Cl8 N4 O10 P8 Re4'
_chemical_formula_weight         3443.25

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'
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'
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                   12.2278(2)
_cell_length_b                   14.3701(2)
_cell_length_c                   23.2604(3)
_cell_angle_alpha                74.6360(10)
_cell_angle_beta                 83.2270(10)
_cell_angle_gamma                75.4460(10)
_cell_volume                     3808.88(10)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       rhombo
_exptl_crystal_colour            dark
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .3
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1740
_exptl_absorpt_coefficient_mu    3.448
_exptl_absorpt_correction_type   Multiscan
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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            24165
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_sigmaI/netI    0.0925
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         24.71
_reflns_number_total             12830
_reflns_number_gt                8559
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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 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
[0.00000+1.00000exp(1.00(sin\q/\l)^2^)]/
[\s^2^(Fo^2^)+0.0000+0.0000*P+(0.0799P)^2^+0.0000sin\q/\l]
where P = 0.33333Fo^2^ + 0.66667Fc^2^
;
_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         12830
_refine_ls_number_parameters     754
_refine_ls_number_restraints     150
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0571
_refine_ls_wR_factor_ref         0.1478
_refine_ls_wR_factor_gt          0.1353
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.549
_refine_ls_shift/su_mean         0.015

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 0.03197(3) 0.38631(3) 0.281150(16) 0.03183(13) Uani 1 1 d . . .
Re2 Re 0.17124(3) 0.41365(3) 0.328631(16) 0.03108(13) Uani 1 1 d . . .
Cl1 Cl -0.1186(2) 0.35084(19) 0.22326(11) 0.0466(6) Uani 1 1 d . . .
Cl2 Cl -0.0747(2) 0.31629(19) 0.36902(10) 0.0413(6) Uani 1 1 d . . .
Cl4 Cl 0.3171(2) 0.44802(19) 0.25476(11) 0.0455(6) Uani 1 1 d . . .
Cl3 Cl 0.1286(2) 0.39514(18) 0.43322(10) 0.0432(6) Uani 1 1 d . . .
P4 P -0.1138(2) 0.54210(19) 0.28823(12) 0.0388(6) Uani 1 1 d . . .
P3 P 0.0895(2) 0.59053(18) 0.32208(11) 0.0354(6) Uani 1 1 d . . .
P2 P 0.2903(2) 0.2452(2) 0.35304(12) 0.0398(6) Uani 1 1 d . . .
P1 P 0.1458(2) 0.2229(2) 0.26499(12) 0.0416(6) Uani 1 1 d . . .
N1 N 0.0860(7) 0.4481(6) 0.1969(4) 0.039(2) Uani 1 1 d . . .
N2 N 0.1157(8) 0.5209(7) 0.0912(4) 0.051(2) Uani 1 1 d . . .
C1 C 0.2936(9) 0.2009(8) 0.2841(4) 0.047(3) Uani 1 1 d . . .
H1A H 0.3358 0.2370 0.2517 0.056 Uiso 1 1 calc R . .
H1B H 0.3295 0.1308 0.2913 0.056 Uiso 1 1 calc R . .
C2 C -0.0630(8) 0.5981(7) 0.3391(4) 0.039(2) Uani 1 1 d . . .
H2B H -0.0760 0.5631 0.3802 0.047 Uiso 1 1 calc R . .
H2C H -0.1035 0.6669 0.3340 0.047 Uiso 1 1 calc R . .
C3 C 0.0966(9) 0.4794(8) 0.1476(5) 0.044(3) Uani 1 1 d . . .
C4 C 0.0587(10) 0.5096(8) 0.0455(4) 0.054(3) Uani 1 1 d . . .
C5 C -0.0181(11) 0.4447(8) 0.0577(5) 0.057(3) Uani 1 1 d . . .
H5A H -0.0283 0.4078 0.0965 0.069 Uiso 1 1 calc R . .
C6 C -0.0769(10) 0.4360(8) 0.0132(4) 0.052(3) Uani 1 1 d . . .
C7 C -0.1587(14) 0.3673(12) 0.0254(5) 0.097(6) Uani 1 1 d . . .
H7A H -0.1903 0.3711 -0.0113 0.145 Uiso 1 1 calc R . .
H7B H -0.2184 0.3873 0.0534 0.145 Uiso 1 1 calc R . .
H7C H -0.1188 0.3004 0.0416 0.145 Uiso 1 1 calc R . .
C8 C 0.0939(10) 0.1099(7) 0.3059(4) 0.048(3) Uani 1 1 d . . .
C9 C -0.0187(10) 0.1153(9) 0.3179(5) 0.056(3) Uani 1 1 d . . .
H9A H -0.0698 0.1757 0.3057 0.067 Uiso 1 1 calc R . .
C10 C -0.0592(13) 0.0310(10) 0.3484(6) 0.071(4) Uani 1 1 d . . .
H10A H -0.1366 0.0350 0.3549 0.085 Uiso 1 1 calc R . .
C11 C 0.0152(16) -0.0554(10) 0.3681(6) 0.081(5) Uani 1 1 d . . .
H11A H -0.0117 -0.1105 0.3893 0.097 Uiso 1 1 calc R . .
C12 C 0.1299(15) -0.0644(9) 0.3577(6) 0.079(4) Uani 1 1 d . . .
H12A H 0.1799 -0.1251 0.3711 0.095 Uiso 1 1 calc R . .
C13 C 0.1701(12) 0.0187(8) 0.3266(5) 0.062(3) Uani 1 1 d . . .
H13A H 0.2476 0.0137 0.3196 0.074 Uiso 1 1 calc R . .
C14 C 0.1633(11) 0.2147(8) 0.1868(5) 0.060(3) Uani 1 1 d . . .
C15 C 0.0988(14) 0.1646(10) 0.1656(6) 0.084(5) Uani 1 1 d . . .
H15A H 0.0486 0.1329 0.1919 0.101 Uiso 1 1 calc R . .
C16 C 0.1077(19) 0.1611(11) 0.1077(7) 0.112(7) Uani 1 1 d . . .
H16A H 0.0615 0.1298 0.0941 0.135 Uiso 1 1 calc R . .
C17 C 0.1870(19) 0.2048(14) 0.0681(7) 0.116(7) Uani 1 1 d . . .
H17A H 0.1968 0.1986 0.0289 0.140 Uiso 1 1 calc R . .
C18 C 0.2510(15) 0.2575(12) 0.0870(6) 0.101(6) Uani 1 1 d . . .
H18A H 0.3006 0.2898 0.0605 0.121 Uiso 1 1 calc R . .
C19 C 0.2387(12) 0.2603(10) 0.1462(5) 0.074(4) Uani 1 1 d . . .
H19A H 0.2825 0.2939 0.1596 0.089 Uiso 1 1 calc R . .
C20 C 0.4348(9) 0.2459(8) 0.3656(5) 0.050(3) Uani 1 1 d . . .
C21 C 0.5256(10) 0.2366(9) 0.3237(6) 0.066(3) Uani 1 1 d . . .
H21A H 0.5146 0.2272 0.2870 0.079 Uiso 1 1 calc R . .
C22 C 0.6347(10) 0.2413(10) 0.3362(7) 0.075(4) Uani 1 1 d . . .
H22A H 0.6958 0.2320 0.3088 0.090 Uiso 1 1 calc R . .
C23 C 0.6478(10) 0.2599(10) 0.3899(8) 0.077(4) Uani 1 1 d . . .
H23A H 0.7183 0.2657 0.3978 0.093 Uiso 1 1 calc R . .
C24 C 0.5591(12) 0.2700(9) 0.4324(6) 0.072(4) Uani 1 1 d . . .
H24A H 0.5705 0.2807 0.4688 0.086 Uiso 1 1 calc R . .
C25 C 0.4496(9) 0.2640(8) 0.4197(5) 0.056(3) Uani 1 1 d . . .
H25A H 0.3889 0.2722 0.4474 0.067 Uiso 1 1 calc R . .
C26 C 0.2611(8) 0.1428(7) 0.4151(4) 0.041(2) Uani 1 1 d . . .
C27 C 0.1508(9) 0.1464(8) 0.4409(4) 0.044(3) Uani 1 1 d . . .
H27A H 0.0939 0.2032 0.4297 0.052 Uiso 1 1 calc R . .
C28 C 0.1275(10) 0.0643(8) 0.4831(5) 0.055(3) Uani 1 1 d . . .
H28A H 0.0539 0.0652 0.4991 0.066 Uiso 1 1 calc R . .
C29 C 0.2140(11) -0.0195(8) 0.5019(5) 0.061(3) Uani 1 1 d . . .
H29A H 0.1981 -0.0731 0.5313 0.073 Uiso 1 1 calc R . .
C30 C 0.3221(11) -0.0236(9) 0.4773(6) 0.078(4) Uani 1 1 d . . .
H30A H 0.3790 -0.0802 0.4895 0.093 Uiso 1 1 calc R . .
C31 C 0.3463(10) 0.0574(8) 0.4342(5) 0.059(3) Uani 1 1 d . . .
H31A H 0.4198 0.0549 0.4177 0.070 Uiso 1 1 calc R . .
C32 C 0.1371(8) 0.6341(7) 0.3802(4) 0.038(2) Uani 1 1 d . . .
C33 C 0.0716(9) 0.6476(8) 0.4320(4) 0.045(3) Uani 1 1 d . . .
H33A H -0.0014 0.6374 0.4370 0.054 Uiso 1 1 calc R . .
C34 C 0.1127(10) 0.6760(9) 0.4762(5) 0.060(3) Uani 1 1 d . . .
H34A H 0.0668 0.6866 0.5098 0.072 Uiso 1 1 calc R . .
C35 C 0.2217(11) 0.6883(9) 0.4699(5) 0.062(3) Uani 1 1 d . . .
H35A H 0.2502 0.7062 0.4997 0.074 Uiso 1 1 calc R . .
C36 C 0.2894(10) 0.6743(8) 0.4195(5) 0.058(3) Uani 1 1 d . . .
H36A H 0.3626 0.6841 0.4150 0.070 Uiso 1 1 calc R . .
C37 C 0.2469(9) 0.6448(8) 0.3745(4) 0.045(3) Uani 1 1 d . . .
H37A H 0.2932 0.6328 0.3413 0.054 Uiso 1 1 calc R . .
C38 C 0.0995(8) 0.6927(7) 0.2555(4) 0.037(2) Uani 1 1 d . . .
C39 C 0.1365(9) 0.6769(8) 0.2005(4) 0.048(3) Uani 1 1 d . . .
H39A H 0.1591 0.6123 0.1959 0.058 Uiso 1 1 calc R . .
C40 C 0.1410(13) 0.7566(10) 0.1508(6) 0.078(4) Uani 1 1 d . . .
H40A H 0.1665 0.7448 0.1135 0.093 Uiso 1 1 calc R . .
C41 C 0.1071(13) 0.8537(10) 0.1574(6) 0.083(4) Uani 1 1 d . . .
H41A H 0.1103 0.9071 0.1248 0.100 Uiso 1 1 calc R . .
C42 C 0.0692(14) 0.8688(9) 0.2125(7) 0.086(5) Uani 1 1 d . . .
H42A H 0.0449 0.9335 0.2167 0.103 Uiso 1 1 calc R . .
C43 C 0.0655(11) 0.7910(8) 0.2626(5) 0.063(3) Uani 1 1 d . . .
H43A H 0.0413 0.8031 0.2999 0.076 Uiso 1 1 calc R . .
C44 C -0.1481(8) 0.6395(8) 0.2194(5) 0.044(3) Uani 1 1 d . . .
C45 C -0.1471(9) 0.6141(9) 0.1651(5) 0.054(3) Uani 1 1 d . . .
H45A H -0.1273 0.5477 0.1641 0.065 Uiso 1 1 calc R . .
C46 C -0.1754(11) 0.6867(9) 0.1130(5) 0.070(4) Uani 1 1 d . . .
H46A H -0.1746 0.6684 0.0775 0.084 Uiso 1 1 calc R . .
C47 C -0.2042(12) 0.7839(8) 0.1135(5) 0.074(4) Uani 1 1 d . . .
H47A H -0.2260 0.8321 0.0787 0.089 Uiso 1 1 calc R . .
C48 C -0.2010(13) 0.8113(10) 0.1663(6) 0.088(5) Uani 1 1 d . . .
H48A H -0.2179 0.8782 0.1664 0.105 Uiso 1 1 calc R . .
C49 C -0.1727(10) 0.7397(8) 0.2190(5) 0.059(3) Uani 1 1 d . . .
H49A H -0.1702 0.7587 0.2540 0.071 Uiso 1 1 calc R . .
C50 C -0.2555(9) 0.5310(8) 0.3218(5) 0.050(3) Uani 1 1 d . . .
C51 C -0.3367(10) 0.5234(9) 0.2871(6) 0.069(4) Uani 1 1 d . . .
H51A H -0.3194 0.5262 0.2468 0.083 Uiso 1 1 calc R . .
C52 C -0.4425(12) 0.5118(10) 0.3117(9) 0.088(5) Uani 1 1 d . . .
H52A H -0.4944 0.5063 0.2873 0.105 Uiso 1 1 calc R . .
C53 C -0.4735(12) 0.5082(10) 0.3706(8) 0.079(4) Uani 1 1 d . . .
H53A H -0.5452 0.5007 0.3863 0.095 Uiso 1 1 calc R . .
C54 C -0.3929(12) 0.5163(11) 0.4066(7) 0.083(4) Uani 1 1 d . . .
H54A H -0.4112 0.5149 0.4467 0.100 Uiso 1 1 calc R . .
C55 C -0.2856(10) 0.5264(9) 0.3817(6) 0.065(3) Uani 1 1 d . . .
H55A H -0.2327 0.5301 0.4061 0.078 Uiso 1 1 calc R . .
O1 O -0.2162(10) 0.8151(8) 0.3596(5) 0.114(4) Uani 1 1 d D . .
C56 C -0.2795(15) 0.9003(13) 0.3249(7) 0.121(6) Uani 1 1 d D . .
H56A H -0.3143 0.8846 0.2944 0.146 Uiso 1 1 calc R . .
H56B H -0.2318 0.9456 0.3054 0.146 Uiso 1 1 calc R . .
C57 C -0.3680(15) 0.9465(12) 0.3650(8) 0.130(7) Uani 1 1 d D . .
H57A H -0.3450 0.9982 0.3769 0.156 Uiso 1 1 calc R . .
H57B H -0.4392 0.9744 0.3458 0.156 Uiso 1 1 calc R . .
C58 C -0.3775(14) 0.8633(14) 0.4165(7) 0.123(7) Uani 1 1 d D . .
H58A H -0.3949 0.8856 0.4531 0.147 Uiso 1 1 calc R . .
H58B H -0.4362 0.8320 0.4115 0.147 Uiso 1 1 calc R . .
C59 C -0.2683(16) 0.7958(13) 0.4177(7) 0.131(8) Uani 1 1 d D . .
H59A H -0.2224 0.8054 0.4459 0.157 Uiso 1 1 calc R . .
H59B H -0.2766 0.7278 0.4297 0.157 Uiso 1 1 calc R . .
O2 O 0.4360(14) -0.0637(13) 0.2596(8) 0.171(6) Uiso 1 1 d D . .
C60 C 0.399(2) -0.0334(16) 0.2021(10) 0.184(10) Uiso 1 1 d D . .
H60A H 0.4353 0.0180 0.1782 0.221 Uiso 1 1 calc R . .
H60B H 0.3177 -0.0068 0.2029 0.221 Uiso 1 1 calc R . .
C61 C 0.428(3) -0.120(2) 0.1762(11) 0.244(14) Uiso 1 1 d D . .
H61A H 0.3719 -0.1156 0.1487 0.293 Uiso 1 1 calc R . .
H61B H 0.5017 -0.1256 0.1555 0.293 Uiso 1 1 calc R . .
C62 C 0.427(3) -0.2015(17) 0.2279(13) 0.227(13) Uiso 1 1 d D . .
H62A H 0.3558 -0.2223 0.2322 0.272 Uiso 1 1 calc R . .
H62B H 0.4883 -0.2574 0.2242 0.272 Uiso 1 1 calc R . .
C63 C 0.439(2) -0.1668(17) 0.2781(10) 0.194(11) Uiso 1 1 d D . .
H63A H 0.5102 -0.2026 0.2958 0.233 Uiso 1 1 calc R . .
H63B H 0.3782 -0.1783 0.3080 0.233 Uiso 1 1 calc R . .
O3 O -0.582(3) 0.615(4) 0.080(2) 0.67(4) Uiso 1 1 d D . .
C69 C -0.488(5) 0.646(3) 0.0496(19) 0.44(3) Uiso 1 1 d D . .
H69A H -0.4875 0.7116 0.0532 0.530 Uiso 1 1 calc R . .
H69B H -0.4859 0.6468 0.0077 0.530 Uiso 1 1 calc R . .
C70 C -0.391(3) 0.571(4) 0.080(2) 0.45(3) Uiso 1 1 d D . .
H70A H -0.3502 0.5287 0.0537 0.542 Uiso 1 1 calc R . .
H70B H -0.3391 0.6012 0.0922 0.542 Uiso 1 1 calc R . .
C71 C -0.449(4) 0.515(3) 0.1306(16) 0.34(2) Uiso 1 1 d D . .
H71A H -0.4021 0.4499 0.1478 0.409 Uiso 1 1 calc R . .
H71B H -0.4752 0.5507 0.1613 0.409 Uiso 1 1 calc R . .
C72 C -0.542(4) 0.508(3) 0.099(2) 0.36(3) Uiso 1 1 d D . .
H72A H -0.5162 0.4776 0.0655 0.438 Uiso 1 1 calc R . .
H72B H -0.5964 0.4755 0.1249 0.438 Uiso 1 1 calc R . .
O4 O -0.280(4) 0.220(4) 0.149(3) 0.69(5) Uiso 1 1 d D . .
C73 C -0.393(5) 0.245(3) 0.138(2) 0.50(4) Uiso 1 1 d D . .
H73A H -0.4041 0.2533 0.0965 0.602 Uiso 1 1 calc R . .
H73B H -0.4311 0.3061 0.1498 0.602 Uiso 1 1 calc R . .
C74 C -0.436(2) 0.161(4) 0.1757(19) 0.300(19) Uiso 1 1 d D . .
H74A H -0.4652 0.1280 0.1516 0.360 Uiso 1 1 calc R . .
H74B H -0.4952 0.1819 0.2043 0.360 Uiso 1 1 calc R . .
C75 C -0.335(4) 0.096(3) 0.2059(19) 0.44(3) Uiso 1 1 d D . .
H75A H -0.3257 0.1136 0.2422 0.523 Uiso 1 1 calc R . .
H75B H -0.3391 0.0268 0.2155 0.523 Uiso 1 1 calc R . .
C76 C -0.246(3) 0.115(4) 0.162(2) 0.36(2) Uiso 1 1 d D . .
H76A H -0.1719 0.0891 0.1781 0.438 Uiso 1 1 calc R . .
H76B H -0.2486 0.0895 0.1274 0.438 Uiso 1 1 calc R . .
O5 O 0.135(4) 0.006(4) 0.001(2) 0.29(2) Uiso 0.50 1 d PD A -1
C77 C 0.020(5) 0.048(3) 0.003(3) 0.17(2) Uiso 0.50 1 d PD A -1
H77A H -0.0035 0.0918 -0.0353 0.202 Uiso 0.50 1 calc PR A -1
H77B H -0.0007 0.0856 0.0334 0.202 Uiso 0.50 1 calc PR A -1
C78 C -0.033(6) -0.037(6) 0.018(6) 0.44(11) Uiso 0.50 1 d PD A -1
H78A H -0.0543 -0.0551 0.0603 0.530 Uiso 0.50 1 calc PR A -1
H78B H -0.0996 -0.0237 -0.0045 0.530 Uiso 0.50 1 calc PR A -1
C79 C 0.056(7) -0.116(4) 0.001(4) 0.37(6) Uiso 0.50 1 d PD A -1
H79A H 0.0837 -0.1666 0.0363 0.449 Uiso 0.50 1 calc PR A -1
H79B H 0.0271 -0.1467 -0.0246 0.449 Uiso 0.50 1 calc PR A -1
C80 C 0.144(5) -0.070(5) -0.030(3) 0.32(4) Uiso 0.50 1 d PD A -1
H80A H 0.1304 -0.0417 -0.0719 0.390 Uiso 0.50 1 calc PR A -1
H80B H 0.2176 -0.1154 -0.0258 0.390 Uiso 0.50 1 calc PR A -1
O6 O -0.378(5) 1.099(4) -0.002(3) 0.42(4) Uiso 0.50 1 d PD B -1
C82 C -0.353(3) 1.000(4) -0.0022(19) 0.161(17) Uiso 0.50 1 d PD B -1
H82A H -0.2886 0.9644 0.0217 0.193 Uiso 0.50 1 calc PR B -1
H82B H -0.3344 0.9927 -0.0427 0.193 Uiso 0.50 1 calc PR B -1
C83 C -0.454(5) 0.963(4) 0.023(3) 0.20(3) Uiso 0.50 1 d PD B -1
H83A H -0.4667 0.9173 0.0016 0.246 Uiso 0.50 1 calc PR B -1
H83B H -0.4466 0.9290 0.0649 0.246 Uiso 0.50 1 calc PR B -1
C84 C -0.544(3) 1.052(5) 0.015(3) 0.20(2) Uiso 0.50 1 d PD B -1
H84A H -0.6025 1.0471 -0.0082 0.238 Uiso 0.50 1 calc PR B -1
H84B H -0.5784 1.0618 0.0535 0.238 Uiso 0.50 1 calc PR B -1
C85 C -0.494(5) 1.132(3) -0.015(3) 0.27(3) Uiso 0.50 1 d PD B -1
H85A H -0.5295 1.1913 -0.0014 0.321 Uiso 0.50 1 calc PR B -1
H85B H -0.5021 1.1471 -0.0581 0.321 Uiso 0.50 1 calc PR B -1

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 0.0310(2) 0.0311(2) 0.0359(2) -0.01075(16) -0.00996(16) -0.00520(17)
Re2 0.0296(2) 0.0304(2) 0.0345(2) -0.00672(16) -0.01087(16) -0.00629(17)
Cl1 0.0456(16) 0.0472(15) 0.0558(16) -0.0168(12) -0.0122(12) -0.0177(13)
Cl2 0.0342(14) 0.0512(15) 0.0438(14) -0.0156(11) -0.0031(11) -0.0146(12)
Cl4 0.0370(15) 0.0474(15) 0.0499(15) -0.0035(12) -0.0064(11) -0.0127(12)
Cl3 0.0557(17) 0.0409(14) 0.0358(13) -0.0082(11) -0.0107(11) -0.0139(12)
P4 0.0341(15) 0.0359(15) 0.0497(16) -0.0151(12) -0.0171(12) -0.0024(12)
P3 0.0404(16) 0.0306(14) 0.0392(14) -0.0130(11) -0.0146(11) -0.0047(12)
P2 0.0301(15) 0.0372(15) 0.0483(16) -0.0041(12) -0.0094(12) -0.0043(12)
P1 0.0482(17) 0.0357(15) 0.0399(15) -0.0108(12) -0.0065(12) -0.0043(13)
N1 0.049(5) 0.036(5) 0.035(5) -0.010(4) -0.021(4) -0.006(4)
N2 0.057(6) 0.056(6) 0.049(6) -0.018(5) -0.012(4) -0.020(5)
C1 0.039(6) 0.043(6) 0.052(7) -0.004(5) 0.009(5) -0.010(5)
C2 0.041(6) 0.046(6) 0.031(5) -0.011(4) -0.008(4) -0.008(5)
C3 0.052(7) 0.041(6) 0.047(7) -0.014(5) -0.019(5) -0.015(5)
C4 0.074(9) 0.056(7) 0.032(5) -0.018(5) -0.017(5) -0.001(6)
C5 0.089(10) 0.053(7) 0.037(6) -0.007(5) -0.012(6) -0.029(7)
C6 0.062(8) 0.061(7) 0.036(6) -0.011(5) -0.004(5) -0.020(6)
C7 0.138(14) 0.124(13) 0.048(8) 0.008(8) -0.020(8) -0.089(12)
C8 0.072(8) 0.033(6) 0.041(6) -0.012(5) -0.008(5) -0.011(6)
C9 0.058(8) 0.047(7) 0.066(8) -0.017(6) 0.002(6) -0.018(6)
C10 0.093(11) 0.057(9) 0.076(9) -0.023(7) 0.010(8) -0.038(8)
C11 0.130(15) 0.051(9) 0.072(9) -0.017(7) 0.015(9) -0.046(10)
C12 0.129(14) 0.029(7) 0.084(10) -0.015(6) -0.018(9) -0.018(8)
C13 0.088(10) 0.041(7) 0.059(7) -0.014(6) -0.016(7) -0.012(7)
C14 0.086(10) 0.030(6) 0.053(7) -0.013(5) -0.012(7) 0.015(6)
C15 0.134(14) 0.070(9) 0.054(8) -0.032(7) -0.018(8) -0.009(9)
C16 0.21(2) 0.068(11) 0.075(11) -0.027(9) -0.039(12) -0.037(12)
C17 0.19(2) 0.098(14) 0.050(9) -0.031(9) -0.023(11) 0.002(14)
C18 0.121(15) 0.089(12) 0.064(10) -0.018(9) 0.022(9) 0.014(11)
C19 0.082(10) 0.081(10) 0.048(7) -0.013(7) 0.011(7) -0.009(8)
C20 0.040(7) 0.036(6) 0.068(8) 0.006(5) -0.014(6) -0.012(5)
C21 0.046(8) 0.066(9) 0.075(9) -0.009(7) -0.003(6) -0.003(6)
C22 0.028(7) 0.079(10) 0.104(11) -0.009(8) 0.008(7) -0.007(7)
C23 0.028(7) 0.067(9) 0.123(13) 0.004(9) -0.020(8) -0.005(6)
C24 0.066(9) 0.065(9) 0.086(10) 0.004(7) -0.035(8) -0.029(7)
C25 0.035(7) 0.055(7) 0.071(8) -0.002(6) -0.006(6) -0.015(6)
C26 0.035(6) 0.040(6) 0.046(6) -0.012(5) -0.005(5) -0.004(5)
C27 0.045(7) 0.047(6) 0.043(6) -0.016(5) -0.006(5) -0.009(5)
C28 0.064(8) 0.051(7) 0.053(7) -0.014(6) -0.002(6) -0.020(6)
C29 0.077(9) 0.034(6) 0.061(7) 0.002(5) -0.002(7) -0.008(6)
C30 0.067(10) 0.044(7) 0.083(9) 0.018(7) 0.004(8) 0.019(7)
C31 0.044(7) 0.046(7) 0.069(8) 0.003(6) -0.007(6) 0.005(6)
C32 0.038(6) 0.035(6) 0.043(6) -0.013(4) -0.012(5) -0.006(5)
C33 0.043(6) 0.055(7) 0.043(6) -0.022(5) -0.001(5) -0.013(5)
C34 0.057(8) 0.076(9) 0.055(7) -0.026(6) -0.010(6) -0.019(7)
C35 0.080(10) 0.063(8) 0.053(7) -0.031(6) -0.018(7) -0.010(7)
C36 0.044(7) 0.061(8) 0.080(9) -0.026(6) -0.026(6) -0.011(6)
C37 0.037(6) 0.056(7) 0.042(6) -0.017(5) -0.001(5) -0.006(5)
C38 0.044(6) 0.026(5) 0.042(6) -0.002(4) -0.019(5) -0.011(5)
C39 0.059(7) 0.037(6) 0.045(6) -0.001(5) -0.012(5) -0.009(5)
C40 0.114(12) 0.061(9) 0.051(8) -0.004(6) -0.017(7) -0.012(8)
C41 0.124(14) 0.062(9) 0.059(9) 0.011(7) -0.015(8) -0.035(9)
C42 0.128(14) 0.039(8) 0.092(11) -0.006(7) -0.027(10) -0.025(8)
C43 0.095(10) 0.044(7) 0.050(7) -0.008(6) -0.018(6) -0.013(7)
C44 0.033(6) 0.041(6) 0.059(7) -0.017(5) -0.017(5) 0.002(5)
C45 0.057(7) 0.055(7) 0.054(7) -0.016(6) -0.029(6) -0.003(6)
C46 0.091(10) 0.055(8) 0.061(8) -0.015(6) -0.043(7) 0.009(7)
C47 0.107(11) 0.037(7) 0.058(8) -0.004(6) -0.035(7) 0.025(7)
C48 0.117(13) 0.052(8) 0.098(11) -0.017(8) -0.067(9) 0.002(8)
C49 0.071(9) 0.053(7) 0.051(7) -0.017(6) -0.024(6) 0.001(6)
C50 0.039(7) 0.039(6) 0.073(8) -0.018(5) -0.011(6) -0.001(5)
C51 0.049(8) 0.075(9) 0.090(9) -0.016(7) -0.030(7) -0.018(7)
C52 0.049(9) 0.060(9) 0.159(16) -0.028(10) -0.047(10) -0.004(7)
C53 0.047(9) 0.070(10) 0.117(13) -0.031(9) 0.014(9) -0.007(7)
C54 0.056(9) 0.083(11) 0.102(11) -0.033(9) 0.021(8) -0.002(8)
C55 0.042(7) 0.076(9) 0.085(9) -0.033(7) 0.009(6) -0.018(7)
O1 0.125(10) 0.084(8) 0.103(9) -0.028(6) -0.007(7) 0.036(7)
C56 0.113(15) 0.107(15) 0.134(16) -0.045(13) -0.015(12) 0.014(12)
C57 0.128(17) 0.107(15) 0.118(15) -0.032(12) 0.019(12) 0.034(12)
C58 0.100(14) 0.144(18) 0.087(12) -0.008(12) -0.001(10) 0.017(13)
C59 0.148(19) 0.124(16) 0.078(12) -0.020(11) -0.006(12) 0.042(14)

_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 N1 2.033(8) . ?
Re1 Re2 2.2986(5) . ?
Re1 Cl2 2.415(2) . ?
Re1 P1 2.509(3) . ?
Re1 P4 2.517(3) . ?
Re1 Cl1 2.624(2) . ?
Re2 Cl4 2.376(3) . ?
Re2 Cl3 2.385(2) . ?
Re2 P2 2.448(3) . ?
Re2 P3 2.457(2) . ?
P4 C2 1.834(9) . ?
P4 C44 1.837(10) . ?
P4 C50 1.841(12) . ?
P3 C32 1.837(9) . ?
P3 C2 1.841(10) . ?
P3 C38 1.847(9) . ?
P2 C20 1.827(11) . ?
P2 C26 1.842(10) . ?
P2 C1 1.868(11) . ?
P1 C14 1.838(11) . ?
P1 C1 1.842(11) . ?
P1 C8 1.870(11) . ?
N1 C3 1.121(12) . ?
N2 C3 1.309(13) . ?
N2 C4 1.401(13) . ?
C4 C6 1.407(15) 2_565 ?
C4 C5 1.439(15) . ?
C5 C6 1.374(14) . ?
C6 C4 1.407(15) 2_565 ?
C6 C7 1.528(16) . ?
C8 C9 1.359(15) . ?
C8 C13 1.406(15) . ?
C9 C10 1.407(15) . ?
C10 C11 1.344(19) . ?
C11 C12 1.37(2) . ?
C12 C13 1.395(16) . ?
C14 C19 1.394(17) . ?
C14 C15 1.395(18) . ?
C15 C16 1.352(18) . ?
C16 C17 1.40(2) . ?
C17 C18 1.39(2) . ?
C18 C19 1.377(17) . ?
C20 C25 1.393(16) . ?
C20 C21 1.391(15) . ?
C21 C22 1.419(17) . ?
C22 C23 1.380(18) . ?
C23 C24 1.386(18) . ?
C24 C25 1.432(15) . ?
C26 C31 1.402(14) . ?
C26 C27 1.404(13) . ?
C27 C28 1.388(14) . ?
C28 C29 1.396(15) . ?
C29 C30 1.370(16) . ?
C30 C31 1.390(15) . ?
C32 C37 1.377(14) . ?
C32 C33 1.397(13) . ?
C33 C34 1.386(14) . ?
C34 C35 1.375(16) . ?
C35 C36 1.384(16) . ?
C36 C37 1.420(14) . ?
C38 C39 1.364(13) . ?
C38 C43 1.416(14) . ?
C39 C40 1.403(15) . ?
C40 C41 1.396(18) . ?
C41 C42 1.364(18) . ?
C42 C43 1.390(16) . ?
C44 C49 1.392(14) . ?
C44 C45 1.402(14) . ?
C45 C46 1.387(15) . ?
C46 C47 1.355(15) . ?
C47 C48 1.395(16) . ?
C48 C49 1.391(16) . ?
C50 C55 1.389(16) . ?
C50 C51 1.391(15) . ?
C51 C52 1.383(18) . ?
C52 C53 1.368(19) . ?
C53 C54 1.411(19) . ?
C54 C55 1.395(17) . ?
O1 C56 1.378(15) . ?
O1 C59 1.412(15) . ?
C56 C57 1.486(17) . ?
C57 C58 1.468(18) . ?
C58 C59 1.439(16) . ?
O2 C60 1.385(17) . ?
O2 C63 1.422(18) . ?
C60 C61 1.47(2) . ?
C61 C62 1.44(2) . ?
C62 C63 1.422(19) . ?
O3 C69 1.39(2) . ?
O3 C72 1.45(2) . ?
C69 C70 1.49(2) . ?
C70 C71 1.46(2) . ?
C71 C72 1.46(2) . ?
O4 C73 1.38(2) . ?
O4 C76 1.42(2) . ?
C73 C74 1.46(2) . ?
C74 C75 1.47(2) . ?
C75 C76 1.43(2) . ?
O5 C77 1.39(2) . ?
O5 C80 1.43(2) . ?
C77 C78 1.47(2) . ?
C78 C79 1.46(2) . ?
C79 C80 1.43(2) . ?
O6 C82 1.37(2) . ?
O6 C85 1.42(2) . ?
C82 C83 1.47(2) . ?
C83 C84 1.46(2) . ?
C84 C85 1.42(2) . ?

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
N1 Re1 Re2 96.1(2) . . ?
N1 Re1 Cl2 165.6(2) . . ?
Re2 Re1 Cl2 97.86(6) . . ?
N1 Re1 P1 87.0(2) . . ?
Re2 Re1 P1 94.54(7) . . ?
Cl2 Re1 P1 95.50(9) . . ?
N1 Re1 P4 92.7(2) . . ?
Re2 Re1 P4 97.14(6) . . ?
Cl2 Re1 P4 82.07(9) . . ?
P1 Re1 P4 168.30(9) . . ?
N1 Re1 Cl1 82.0(2) . . ?
Re2 Re1 Cl1 176.97(6) . . ?
Cl2 Re1 Cl1 84.20(8) . . ?
P1 Re1 Cl1 83.03(9) . . ?
P4 Re1 Cl1 85.33(8) . . ?
Re1 Re2 Cl4 106.74(6) . . ?
Re1 Re2 Cl3 112.82(6) . . ?
Cl4 Re2 Cl3 140.42(9) . . ?
Re1 Re2 P2 99.38(6) . . ?
Cl4 Re2 P2 84.87(9) . . ?
Cl3 Re2 P2 87.36(9) . . ?
Re1 Re2 P3 96.95(6) . . ?
Cl4 Re2 P3 92.52(9) . . ?
Cl3 Re2 P3 84.32(8) . . ?
P2 Re2 P3 163.53(9) . . ?
C2 P4 C44 106.8(5) . . ?
C2 P4 C50 102.4(5) . . ?
C44 P4 C50 101.8(5) . . ?
C2 P4 Re1 107.4(3) . . ?
C44 P4 Re1 118.3(3) . . ?
C50 P4 Re1 118.6(3) . . ?
C32 P3 C2 105.9(4) . . ?
C32 P3 C38 101.6(4) . . ?
C2 P3 C38 105.5(4) . . ?
C32 P3 Re2 112.6(3) . . ?
C2 P3 Re2 104.2(3) . . ?
C38 P3 Re2 125.5(3) . . ?
C20 P2 C26 102.0(5) . . ?
C20 P2 C1 108.3(5) . . ?
C26 P2 C1 105.0(5) . . ?
C20 P2 Re2 111.3(3) . . ?
C26 P2 Re2 125.5(3) . . ?
C1 P2 Re2 103.8(3) . . ?
C14 P1 C1 101.9(5) . . ?
C14 P1 C8 104.0(5) . . ?
C1 P1 C8 106.8(5) . . ?
C14 P1 Re1 114.7(3) . . ?
C1 P1 Re1 111.0(4) . . ?
C8 P1 Re1 117.0(4) . . ?
C3 N1 Re1 166.4(8) . . ?
C3 N2 C4 122.6(9) . . ?
P1 C1 P2 107.1(5) . . ?
P4 C2 P3 108.5(5) . . ?
N1 C3 N2 174.3(11) . . ?
N2 C4 C6 118.7(11) . 2_565 ?
N2 C4 C5 121.4(10) . . ?
C6 C4 C5 119.8(9) 2_565 . ?
C6 C5 C4 121.5(10) . . ?
C5 C6 C4 118.6(11) . 2_565 ?
C5 C6 C7 122.2(10) . . ?
C4 C6 C7 119.2(10) 2_565 . ?
C9 C8 C13 118.5(11) . . ?
C9 C8 P1 120.4(9) . . ?
C13 C8 P1 121.0(10) . . ?
C8 C9 C10 121.2(12) . . ?
C11 C10 C9 119.2(14) . . ?
C10 C11 C12 121.8(13) . . ?
C11 C12 C13 119.0(13) . . ?
C12 C13 C8 120.2(13) . . ?
C19 C14 C15 117.6(12) . . ?
C19 C14 P1 121.5(10) . . ?
C15 C14 P1 120.9(10) . . ?
C16 C15 C14 121.6(16) . . ?
C15 C16 C17 119.7(17) . . ?
C18 C17 C16 120.5(14) . . ?
C19 C18 C17 118.0(16) . . ?
C18 C19 C14 122.5(15) . . ?
C25 C20 C21 119.7(11) . . ?
C25 C20 P2 115.6(9) . . ?
C21 C20 P2 124.6(10) . . ?
C20 C21 C22 121.1(13) . . ?
C23 C22 C21 118.4(12) . . ?
C22 C23 C24 121.9(12) . . ?
C23 C24 C25 119.2(13) . . ?
C20 C25 C24 119.6(11) . . ?
C31 C26 C27 119.1(10) . . ?
C31 C26 P2 120.6(8) . . ?
C27 C26 P2 120.0(8) . . ?
C28 C27 C26 119.5(10) . . ?
C27 C28 C29 120.3(11) . . ?
C30 C29 C28 120.7(11) . . ?
C29 C30 C31 119.6(11) . . ?
C30 C31 C26 120.7(11) . . ?
C37 C32 C33 118.7(9) . . ?
C37 C32 P3 117.6(8) . . ?
C33 C32 P3 123.4(8) . . ?
C34 C33 C32 121.6(10) . . ?
C35 C34 C33 119.4(11) . . ?
C34 C35 C36 120.4(10) . . ?
C35 C36 C37 119.9(11) . . ?
C32 C37 C36 119.8(10) . . ?
C39 C38 C43 119.5(9) . . ?
C39 C38 P3 122.6(7) . . ?
C43 C38 P3 117.9(8) . . ?
C38 C39 C40 120.9(11) . . ?
C41 C40 C39 119.8(12) . . ?
C42 C41 C40 118.8(12) . . ?
C41 C42 C43 122.3(13) . . ?
C42 C43 C38 118.5(11) . . ?
C49 C44 C45 118.2(10) . . ?
C49 C44 P4 121.7(8) . . ?
C45 C44 P4 120.2(8) . . ?
C46 C45 C44 120.9(11) . . ?
C47 C46 C45 120.6(11) . . ?
C46 C47 C48 119.6(11) . . ?
C49 C48 C47 120.6(12) . . ?
C44 C49 C48 120.0(11) . . ?
C55 C50 C51 117.0(11) . . ?
C55 C50 P4 122.9(9) . . ?
C51 C50 P4 120.0(10) . . ?
C52 C51 C50 121.1(13) . . ?
C53 C52 C51 122.3(13) . . ?
C52 C53 C54 117.7(13) . . ?
C55 C54 C53 119.7(14) . . ?
C50 C55 C54 122.1(13) . . ?
C56 O1 C59 109.4(11) . . ?
O1 C56 C57 107.4(13) . . ?
C58 C57 C56 103.4(13) . . ?
C59 C58 C57 104.7(13) . . ?
O1 C59 C58 107.8(12) . . ?
C60 O2 C63 105.3(15) . . ?
O2 C60 C61 108.1(17) . . ?
C62 C61 C60 102.9(17) . . ?
C63 C62 C61 106.5(17) . . ?
C62 C63 O2 109.4(16) . . ?
C69 O3 C72 103(2) . . ?
O3 C69 C70 103(2) . . ?
C71 C70 C69 102(2) . . ?
C72 C71 C70 97(2) . . ?
O3 C72 C71 93(2) . . ?
C73 O4 C76 107(2) . . ?
O4 C73 C74 104(2) . . ?
C73 C74 C75 103.1(19) . . ?
C76 C75 C74 102(2) . . ?
O4 C76 C75 96(2) . . ?
C77 O5 C80 103(2) . . ?
O5 C77 C78 104(2) . . ?
C79 C78 C77 103.4(19) . . ?
C80 C79 C78 106(2) . . ?
C79 C80 O5 101(2) . . ?
C82 O6 C85 104(2) . . ?
O6 C82 C83 107(2) . . ?
C84 C83 C82 103.3(19) . . ?
C85 C84 C83 107(2) . . ?
C84 C85 O6 105(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
P1 Re1 Re2 P2 -16.73(9) . . . . ?
P4 Re1 Re2 P3 -15.42(9) . . . . ?
Cl2 Re1 Re2 Cl3 -11.62(9) . . . . ?
N1 Re1 Re2 Cl4 -16.7(2) . . . . ?
C3 N2 C4 C5 -5.0(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        24.71
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         3.750
_refine_diff_density_min         -1.373
_refine_diff_density_rms         0.190