# Copyright The Royal Society of Chemistry, 1998 
# CCDC Number: 186/1215

data_pmb06 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C55 H53 Cl O1.50 P4 Re' 
_chemical_formula_weight          1083.50 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Re'  'Re'  -1.0185   7.2310 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    'C 2/c'
 
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' 
 
_cell_length_a                    49.112(10) 
_cell_length_b                    11.068(2) 
_cell_length_c                    17.965(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  100.20(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      9610.9(34) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     15 
_cell_measurement_theta_min       10
_cell_measurement_theta_max       15
 
_exptl_crystal_description        'trigonal plate'
_exptl_crystal_colour             'yellow-brownish'
_exptl_crystal_size_max           0.50 
_exptl_crystal_size_mid           0.50 
_exptl_crystal_size_min           0.05 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.498 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              4376 
_exptl_absorpt_coefficient_mu     2.758 
_exptl_absorpt_correction_type    'Numeric' 
_exptl_absorpt_correction_T_min   .424
_exptl_absorpt_correction_T_max   .873
 
_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   beta-filter 
_diffrn_measurement_device        'Syntex P-1'
_diffrn_measurement_method        theta/2theta
_diffrn_standards_number          3
_diffrn_standards_interval_count  100 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         1
_diffrn_reflns_number             4576 
_diffrn_reflns_av_R_equivalents   0.0137 
_diffrn_reflns_av_sigmaI/netI     0.0230 
_diffrn_reflns_limit_h_min        -52 
_diffrn_reflns_limit_h_max        52 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        0 
_diffrn_reflns_theta_min          1.89 
_diffrn_reflns_theta_max          22.55 
_reflns_number_total              4321 
_reflns_number_observed           4321 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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            fullcycle 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+17.3289P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    difmap 
_refine_ls_hydrogen_treatment     refined
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.000026(12) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          4321 
_refine_ls_number_parameters      744 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0208 
_refine_ls_R_factor_obs           0.0208 
_refine_ls_wR_factor_all          0.0530 
_refine_ls_wR_factor_obs          0.0530 
_refine_ls_goodness_of_fit_all    1.034 
_refine_ls_goodness_of_fit_obs    1.034 
_refine_ls_restrained_S_all       1.034 
_refine_ls_restrained_S_obs       1.034 
_refine_ls_shift/esd_max          -0.700 
_refine_ls_shift/esd_mean         0.117 
 
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Re Re 0.634896(4) 0.67973(2) 0.540902(10) 0.02451(8) Uani 1 d . . 
Cl Cl 0.63611(3) 0.47627(13) 0.60708(8) 0.0481(4) Uani 1 d . . 
P1 P 0.58999(3) 0.67966(13) 0.46388(7) 0.0330(3) Uani 1 d . . 
P2 P 0.64621(3) 0.58102(12) 0.42941(7) 0.0290(3) Uani 1 d . . 
P3 P 0.62025(3) 0.76262(12) 0.65185(7) 0.0309(3) Uani 1 d . . 
P4 P 0.67980(3) 0.70401(12) 0.62322(7) 0.0289(3) Uani 1 d . . 
C1 C 0.56366(11) 0.5613(5) 0.4615(3) 0.0411(15) Uani 1 d . . 
C2 C 0.56952(13) 0.4554(6) 0.5014(4) 0.052(2) Uani 1 d . . 
C3 C 0.5494(2) 0.3659(7) 0.4972(5) 0.075(2) Uani 1 d . . 
C4 C 0.5241(2) 0.3789(8) 0.4556(5) 0.081(3) Uani 1 d . . 
C5 C 0.51802(15) 0.4829(8) 0.4151(5) 0.073(3) Uani 1 d . . 
C6 C 0.53752(13) 0.5732(7) 0.4182(4) 0.057(2) Uani 1 d . . 
C7 C 0.56870(11) 0.8157(6) 0.4658(3) 0.0453(15) Uani 1 d . . 
C8 C 0.55033(13) 0.8216(7) 0.5166(4) 0.057(2) Uani 1 d . . 
C9 C 0.5356(2) 0.9266(8) 0.5236(6) 0.079(3) Uani 1 d . . 
C10 C 0.5389(2) 1.0249(9) 0.4811(6) 0.088(3) Uani 1 d . . 
C11 C 0.5563(2) 1.0210(7) 0.4307(6) 0.084(3) Uani 1 d . . 
C12 C 0.57189(15) 0.9163(6) 0.4227(4) 0.058(2) Uani 1 d . . 
C13 C 0.65746(12) 0.4222(5) 0.4289(3) 0.0328(13) Uani 1 d . . 
C14 C 0.68298(13) 0.3883(6) 0.4138(3) 0.0406(15) Uani 1 d . . 
C15 C 0.6906(2) 0.2670(7) 0.4157(4) 0.058(2) Uani 1 d . . 
C16 C 0.6723(2) 0.1779(7) 0.4306(3) 0.064(2) Uani 1 d . . 
C17 C 0.6469(2) 0.2104(5) 0.4455(4) 0.061(2) Uani 1 d . . 
C18 C 0.6400(2) 0.3315(6) 0.4452(3) 0.051(2) Uani 1 d . . 
C19 C 0.66957(10) 0.6566(4) 0.3755(3) 0.0297(12) Uani 1 d . . 
C20 C 0.68649(12) 0.7514(5) 0.4071(3) 0.0397(14) Uani 1 d . . 
C21 C 0.70338(12) 0.8127(6) 0.3659(3) 0.0469(15) Uani 1 d . . 
C22 C 0.70349(13) 0.7792(6) 0.2919(4) 0.051(2) Uani 1 d . . 
C23 C 0.68766(13) 0.6855(6) 0.2605(3) 0.050(2) Uani 1 d . . 
C24 C 0.67060(13) 0.6251(5) 0.3015(3) 0.0410(15) Uani 1 d . . 
C25 C 0.59500(13) 0.6727(6) 0.3647(3) 0.0410(14) Uani 1 d . . 
C26 C 0.61418(12) 0.5693(6) 0.3579(3) 0.0399(14) Uani 1 d . . 
C1' C 0.58798(11) 0.7188(5) 0.6828(3) 0.0415(15) Uani 1 d . . 
C2' C 0.58067(13) 0.5990(7) 0.6814(4) 0.055(2) Uani 1 d . . 
C3' C 0.5573(2) 0.5614(9) 0.7087(5) 0.077(2) Uani 1 d . . 
C4' C 0.5413(2) 0.6430(10) 0.7374(5) 0.088(3) Uani 1 d . . 

C5' C 0.5479(2) 0.7611(11) 0.7383(6) 0.104(3) Uani 1 d . . 
C6' C 0.5711(2) 0.8014(8) 0.7112(5) 0.079(3) Uani 1 d . . 
C7' C 0.62070(11) 0.9266(4) 0.6662(3) 0.0329(13) Uani 1 d . . 
C8' C 0.63072(12) 0.9788(6) 0.7368(3) 0.046(2) Uani 1 d . . 
C9' C 0.63120(14) 1.1032(6) 0.7461(4) 0.055(2) Uani 1 d . . 
C10' C 0.62149(15) 1.1761(6) 0.6867(4) 0.061(2) Uani 1 d . . 
C11' C 0.6113(2) 1.1268(6) 0.6167(4) 0.055(2) Uani 1 d . . 
C12' C 0.61085(12) 1.0022(5) 0.6067(3) 0.0416(15) Uani 1 d . . 
C13' C 0.70573(11) 0.5813(5) 0.6409(3) 0.0318(13) Uani 1 d . . 
C14' C 0.70548(13) 0.4907(6) 0.5883(3) 0.046(2) Uani 1 d . . 
C15' C 0.72463(15) 0.3994(6) 0.5984(4) 0.056(2) Uani 1 d . . 
C16' C 0.74485(13) 0.3971(6) 0.6618(4) 0.048(2) Uani 1 d . . 
C17' C 0.74525(13) 0.4842(6) 0.7153(4) 0.054(2) Uani 1 d . . 
C18' C 0.72632(12) 0.5776(6) 0.7049(3) 0.047(2) Uani 1 d . . 
C19' C 0.70135(10) 0.8338(5) 0.6054(3) 0.0310(12) Uani 1 d . . 
C20' C 0.69130(13) 0.9496(5) 0.6102(3) 0.0401(14) Uani 1 d . . 
C21' C 0.70659(15) 1.0485(6) 0.5944(4) 0.051(2) Uani 1 d . . 
C22' C 0.73166(15) 1.0334(7) 0.5736(4) 0.058(2) Uani 1 d . . 
C23' C 0.74207(14) 0.9201(6) 0.5684(4) 0.055(2) Uani 1 d . . 
C24' C 0.72714(12) 0.8200(6) 0.5843(3) 0.0433(14) Uani 1 d . . 
C25' C 0.64538(12) 0.7078(5) 0.7325(3) 0.0362(14) Uani 1 d . . 
C26' C 0.67434(12) 0.7388(6) 0.7210(3) 0.0376(14) Uani 1 d . . 
O1 O 0.63988(9) 0.9130(4) 0.4655(2) 0.0501(12) Uani 1 d . . 
C27 C 0.63811(12) 0.8344(6) 0.4920(3) 0.0389(15) Uani 1 d . . 
O2 O 0.5000 0.1981(16) 0.7500 0.235(7) Uiso 1 d S . 
C28 C 0.4807(5) 0.1321(24) 0.7879(15) 0.282(13) Uiso 1 d . . 
C29 C 0.4657(4) 0.1859(18) 0.8210(12) 0.235(9) Uiso 1 d . . 
H2 H 0.5885(13) 0.4473(53) 0.5359(32) 0.064(18) Uiso 1 d . . 
H3 H 0.5544(13) 0.3021(54) 0.5226(35) 0.060(22) Uiso 1 d . . 
H4 H 0.5108(13) 0.3119(56) 0.4507(35) 0.073(20) Uiso 1 d . . 
H5 H 0.5020(14) 0.4824(60) 0.3892(36) 0.072(22) Uiso 1 d . . 
H6 H 0.5349(12) 0.6338(51) 0.3961(32) 0.023(20) Uiso 1 d . . 
H8 H 0.5488(11) 0.7533(49) 0.5421(28) 0.029(16) Uiso 1 d . . 
H9 H 0.5238(18) 0.9125(82) 0.5578(48) 0.129(37) Uiso 1 d . . 
H10 H 0.5272(16) 1.1043(77) 0.4825(43) 0.115(28) Uiso 1 d . . 
H11 H 0.5600(14) 1.0737(58) 0.4071(36) 0.054(23) Uiso 1 d . . 
H12 H 0.5865(11) 0.9135(49) 0.3892(29) 0.047(17) Uiso 1 d . . 
H14 H 0.6949(10) 0.4467(45) 0.4039(25) 0.026(15) Uiso 1 d . . 
H15 H 0.7072(12) 0.2546(54) 0.4110(31) 0.046(19) Uiso 1 d . . 
H16 H 0.6784(12) 0.0971(57) 0.4249(30) 0.053(18) Uiso 1 d . . 
H17 H 0.6393(11) 0.1124(51) 0.4544(28) 0.057(16) Uiso 1 d . . 
H18 H 0.6235(11) 0.3524(47) 0.4534(28) 0.036(17) Uiso 1 d . . 
H20 H 0.6862(11) 0.7810(49) 0.4589(32) 0.052(17) Uiso 1 d . . 
H21 H 0.7157(12) 0.8817(55) 0.3873(31) 0.061(18) Uiso 1 d . . 
H22 H 0.7140(11) 0.8249(47) 0.2636(31) 0.052(16) Uiso 1 d . . 
H23 H 0.6870(12) 0.6581(52) 0.2072(35) 0.065(19) Uiso 1 d . . 
H24 H 0.6602(9) 0.5667(42) 0.2785(25) 0.022(13) Uiso 1 d . . 
H251 H 0.5777(11) 0.6714(48) 0.3318(30) 0.048(16) Uiso 1 d . . 
H252 H 0.6039(10) 0.7409(44) 0.3533(25) 0.021(13) Uiso 1 d . . 
H261 H 0.6191(10) 0.5596(45) 0.3080(29) 0.039(15) Uiso 1 d . . 
H262 H 0.6060(9) 0.4968(45) 0.3680(25) 0.026(14) Uiso 1 d . . 
H2' H 0.5926(12) 0.5344(54) 0.6583(31) 0.064(19) Uiso 1 d . . 
H3' H 0.5516(14) 0.4847(64) 0.7042(37) 0.071(24) Uiso 1 d . . 
H4' H 0.5259(14) 0.6152(60) 0.7562(35) 0.073(21) Uiso 1 d . . 
H5' H 0.5336(17) 0.8272(70) 0.7435(45) 0.115(29) Uiso 1 d . . 
H6' H 0.5745(17) 0.8841(76) 0.7139(45) 0.116(33) Uiso 1 d . . 
H8' H 0.6383(12) 0.9230(53) 0.7818(32) 0.058(18) Uiso 1 d . . 
H9' H 0.6425(12) 1.1387(52) 0.7947(34) 0.062(18) Uiso 1 d . . 
H10' H 0.6212(10) 1.2605(51) 0.6886(29) 0.039(15) Uiso 1 d . . 
H11' H 0.6038(12) 1.1706(54) 0.5795(34) 0.058(20) Uiso 1 d . . 
H12' H 0.6024(10) 0.9708(44) 0.5586(27) 0.036(14) Uiso 1 d . . 
H14' H 0.6907(10) 0.4959(45) 0.5474(28) 0.038(15) Uiso 1 d . . 
H15' H 0.7228(13) 0.3323(57) 0.5621(36) 0.072(21) Uiso 1 d . . 
H16' H 0.7574(12) 0.3245(53) 0.6749(32) 0.062(18) Uiso 1 d . . 
H17' H 0.7577(12) 0.4888(54) 0.7536(32) 0.052(19) Uiso 1 d . . 
H18' H 0.7255(13) 0.6361(57) 0.7405(35) 0.067(21) Uiso 1 d . . 
H20' H 0.6738(9) 0.9623(39) 0.6218(23) 0.017(12) Uiso 1 d . . 
H21' H 0.6990(11) 1.1188(50) 0.5987(28) 0.032(16) Uiso 1 d . . 
H22' H 0.7433(12) 1.1018(56) 0.5670(31) 0.060(18) Uiso 1 d . . 
H23' H 0.7608(12) 0.9075(50) 0.5556(30) 0.059(18) Uiso 1 d . . 
H24' H 0.7343(11) 0.7464(52) 0.5830(30) 0.041(17) Uiso 1 d . . 
H25' H 0.6436(9) 0.6227(45) 0.7335(24) 0.026(13) Uiso 1 d . . 
H25" H 0.6414(8) 0.7420(37) 0.7828(23) 0.013(11) Uiso 1 d . . 
H26' H 0.6876(10) 0.6932(44) 0.7577(28) 0.036(14) Uiso 1 d . . 
H26" H 0.6777(8) 0.8176(41) 0.7281(23) 0.014(11) Uiso 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 
Re 0.02777(12) 0.02160(12) 0.02405(11) 0.00023(11) 0.00425(7) -0.00006(11) 
Cl 0.0553(9) 0.0416(8) 0.0478(8) 0.0018(7) 0.0100(7) -0.0011(7) 
P1 0.0297(7) 0.0328(7) 0.0350(7) -0.0032(7) 0.0021(6) 0.0015(7) 
P2 0.0347(8) 0.0265(7) 0.0261(7) -0.0012(6) 0.0063(6) 0.0003(6) 
P3 0.0341(8) 0.0296(8) 0.0300(7) -0.0012(6) 0.0085(6) 0.0005(6) 
P4 0.0296(7) 0.0300(8) 0.0263(7) 0.0002(6) 0.0032(6) -0.0001(6) 
C1 0.030(3) 0.050(4) 0.043(3) -0.012(3) 0.004(3) -0.001(3) 
C2 0.040(4) 0.054(4) 0.060(4) 0.000(4) 0.006(3) -0.011(4) 
C3 0.075(6) 0.048(5) 0.099(7) 0.012(5) 0.003(5) -0.017(4) 
C4 0.062(6) 0.064(5) 0.117(7) -0.009(5) 0.015(5) -0.031(5) 
C5 0.028(4) 0.091(7) 0.095(6) -0.031(5) -0.003(4) -0.015(4) 
C6 0.039(4) 0.047(5) 0.080(5) -0.003(4) 0.000(4) -0.003(3) 
C7 0.035(3) 0.040(4) 0.055(4) -0.009(3) -0.009(3) 0.005(3) 
C8 0.041(4) 0.053(4) 0.073(5) -0.016(5) -0.001(3) 0.011(4) 
C9 0.047(5) 0.068(6) 0.120(7) -0.034(6) 0.010(5) 0.006(4) 
C10 0.069(6) 0.061(6) 0.127(8) -0.023(6) -0.008(6) 0.024(5) 
C11 0.099(8) 0.038(5) 0.100(8) 0.006(5) -0.029(6) 0.011(5) 
C12 0.061(5) 0.043(4) 0.062(4) 0.001(4) -0.008(4) 0.010(4) 
C13 0.047(4) 0.027(3) 0.023(3) -0.003(2) 0.004(3) 0.002(3) 
C14 0.051(4) 0.040(4) 0.029(3) 0.000(3) 0.002(3) 0.005(3) 
C15 0.071(6) 0.063(5) 0.037(4) -0.004(3) 0.002(4) 0.033(5) 
C16 0.118(7) 0.031(4) 0.041(4) 0.003(3) 0.005(4) 0.022(5) 
C17 0.110(7) 0.024(4) 0.053(4) 0.003(3) 0.024(4) 0.006(4) 
C18 0.069(5) 0.044(4) 0.043(3) -0.005(3) 0.015(3) -0.009(4) 
C19 0.032(3) 0.028(3) 0.029(3) 0.002(2) 0.007(2) 0.002(2) 
C20 0.041(4) 0.043(4) 0.035(3) 0.000(3) 0.006(3) 0.001(3) 
C21 0.039(3) 0.052(4) 0.050(4) -0.001(3) 0.008(3) -0.014(3) 
C22 0.049(4) 0.058(4) 0.051(4) 0.004(3) 0.025(3) -0.014(3) 
C23 0.060(4) 0.057(4) 0.038(3) 0.003(3) 0.021(3) 0.000(4) 
C24 0.051(4) 0.033(3) 0.040(3) -0.007(3) 0.011(3) -0.010(3) 
C25 0.037(3) 0.047(4) 0.036(3) 0.003(3) -0.002(3) -0.002(4) 
C26 0.048(4) 0.041(4) 0.032(3) -0.007(3) 0.008(3) -0.002(3) 
C1' 0.033(3) 0.052(4) 0.040(3) -0.006(3) 0.011(3) -0.007(3) 
C2' 0.042(4) 0.067(5) 0.062(4) 0.003(4) 0.019(3) -0.006(4) 
C3' 0.054(5) 0.085(7) 0.092(6) 0.012(5) 0.014(4) -0.026(5) 
C4' 0.053(5) 0.130(9) 0.091(6) -0.010(6) 0.037(5) -0.031(6) 
C5' 0.064(6) 0.130(9) 0.134(8) -0.053(7) 0.058(6) -0.019(6) 
C6' 0.059(5) 0.080(6) 0.110(6) -0.034(5) 0.046(5) -0.017(5) 
C7' 0.034(3) 0.031(3) 0.035(3) -0.002(3) 0.010(3) 0.005(3) 
C8' 0.051(4) 0.044(4) 0.041(4) -0.010(3) 0.006(3) 0.008(3) 
C9' 0.063(5) 0.048(4) 0.051(4) -0.016(4) 0.001(3) -0.005(4) 
C10' 0.076(5) 0.032(4) 0.077(5) -0.012(4) 0.014(4) -0.003(4) 
C11' 0.074(5) 0.036(4) 0.054(4) 0.003(4) 0.011(4) 0.013(4) 
C12' 0.048(4) 0.037(4) 0.038(3) -0.007(3) 0.004(3) 0.003(3) 
C13' 0.033(3) 0.029(3) 0.035(3) 0.004(3) 0.010(3) -0.001(2) 
C14' 0.046(4) 0.055(4) 0.035(3) -0.002(3) 0.001(3) 0.018(3) 
C15' 0.071(5) 0.052(4) 0.047(4) -0.013(3) 0.012(4) 0.020(4) 
C16' 0.044(4) 0.044(4) 0.055(4) 0.007(3) 0.007(3) 0.014(3) 
C17' 0.038(4) 0.066(5) 0.051(4) 0.002(4) -0.012(3) 0.006(4) 
C18' 0.044(4) 0.047(4) 0.045(4) -0.005(3) -0.006(3) 0.008(3) 
C19' 0.031(3) 0.032(3) 0.027(3) -0.001(3) -0.004(2) -0.002(3) 
C20' 0.039(4) 0.038(4) 0.041(3) -0.001(3) 0.001(3) 0.000(3) 
C21' 0.060(5) 0.034(4) 0.056(4) 0.005(3) 0.000(3) -0.004(4) 
C22' 0.055(5) 0.052(5) 0.064(4) 0.014(4) 0.005(4) -0.019(4) 
C23' 0.045(4) 0.055(5) 0.070(4) 0.004(4) 0.020(4) -0.008(4) 
C24' 0.041(4) 0.042(4) 0.046(3) 0.000(3) 0.008(3) 0.000(4) 
C25' 0.048(4) 0.031(4) 0.032(3) 0.000(3) 0.011(3) 0.001(3) 
C26' 0.040(4) 0.042(4) 0.030(3) -0.002(3) 0.003(3) 0.002(3) 
O1 0.052(3) 0.045(3) 0.051(3) -0.005(2) 0.005(2) 0.003(2) 
C27 0.030(3) 0.045(4) 0.039(4) -0.030(4) 0.001(3) 0.003(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 
Re C27 1.944(8) . ? 
Re P1 2.387(2) . ? 
Re P3 2.4167(15) . ? 
Re P2 2.4307(14) . ? 
Re P4 2.443(2) . ? 
Re Cl 2.542(2) . ? 
P1 C7 1.837(6) . ? 
P1 C1 1.836(6) . ? 
P1 C25 1.843(6) . ? 
P2 C19 1.829(5) . ? 
P2 C13 1.843(5) . ? 
P2 C26 1.851(6) . ? 
P3 C25' 1.832(6) . ? 
P3 C7' 1.833(6) . ? 
P3 C1' 1.836(6) . ? 
P4 C19' 1.845(6) . ? 
P4 C13' 1.850(6) . ? 
P4 C26' 1.863(6) . ? 
C1 C2 1.377(9) . ? 
C1 C6 1.385(9) . ? 
C2 C3 1.393(10) . ? 
C3 C4 1.337(11) . ? 
C4 C5 1.366(12) . ? 
C5 C6 1.379(10) . ? 
C7 C12 1.381(9) . ? 
C7 C8 1.394(9) . ? 
C8 C9 1.387(10) . ? 
C9 C10 1.356(13) . ? 
C10 C11 1.350(14) . ? 
C11 C12 1.412(11) . ? 
C13 C14 1.381(8) . ? 
C13 C18 1.384(8) . ? 
C14 C15 1.392(10) . ? 
C15 C16 1.393(11) . ? 
C16 C17 1.369(11) . ? 
C17 C18 1.382(9) . ? 
C19 C24 1.385(8) . ? 
C19 C20 1.395(8) . ? 
C20 C21 1.383(8) . ? 
C21 C22 1.382(9) . ? 
C22 C23 1.358(9) . ? 
C23 C24 1.382(8) . ? 
C25 C26 1.502(9) . ? 
C1' C2' 1.372(9) . ? 
C1' C6' 1.389(9) . ? 
C2' C3' 1.389(10) . ? 
C3' C4' 1.358(12) . ? 
C4' C5' 1.346(14) . ? 
C5' C6' 1.390(11) . ? 
C7' C12' 1.377(8) . ? 
C7' C8' 1.402(8) . ? 
C8' C9' 1.386(9) . ? 
C9' C10' 1.357(10) . ? 
C10' C11' 1.380(10) . ? 
C11' C12' 1.390(9) . ? 
C13' C14' 1.377(8) . ? 
C13' C18' 1.391(8) . ? 
C14' C15' 1.370(9) . ? 
C15' C16' 1.372(9) . ? 
C16' C17' 1.359(9) . ? 
C17' C18' 1.380(9) . ? 
C19' C20' 1.382(8) . ? 
C19' C24' 1.393(8) . ? 
C20' C21' 1.385(9) . ? 
C21' C22' 1.359(10) . ? 
C22' C23' 1.364(10) . ? 
C23' C24' 1.386(9) . ? 
C25' C26' 1.512(8) . ? 
O1 C27 1.003(7) . ? 
O2 C28 1.46(2) . ? 
O2 C28 1.46(2) 2_656 ? 
C28 C29 1.18(3) . ? 
 
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 
C27 Re P1 83.0(2) . . ? 
C27 Re P3 95.6(2) . . ? 
P1 Re P3 95.67(5) . . ? 
C27 Re P2 88.5(2) . . ? 
P1 Re P2 81.07(5) . . ? 
P3 Re P2 174.37(5) . . ? 
C27 Re P4 92.3(2) . . ? 
P1 Re P4 173.38(5) . . ? 
P3 Re P4 80.07(5) . . ? 
P2 Re P4 103.57(5) . . ? 
C27 Re Cl 174.1(2) . . ? 
P1 Re Cl 102.33(5) . . ? 
P3 Re Cl 86.35(5) . . ? 
P2 Re Cl 89.85(5) . . ? 
P4 Re Cl 82.55(5) . . ? 
C7 P1 C1 100.6(3) . . ? 
C7 P1 C25 103.1(3) . . ? 
C1 P1 C25 99.3(3) . . ? 
C7 P1 Re 117.4(2) . . ? 
C1 P1 Re 126.0(2) . . ? 
C25 P1 Re 107.0(2) . . ? 
C19 P2 C13 102.5(2) . . ? 
C19 P2 C26 101.6(3) . . ? 
C13 P2 C26 98.5(3) . . ? 
C19 P2 Re 119.1(2) . . ? 
C13 P2 Re 123.0(2) . . ? 
C26 P2 Re 108.2(2) . . ? 
C25' P3 C7' 103.1(3) . . ? 
C25' P3 C1' 99.8(3) . . ? 
C7' P3 C1' 102.1(3) . . ? 
C25' P3 Re 105.6(2) . . ? 
C7' P3 Re 119.6(2) . . ? 
C1' P3 Re 123.3(2) . . ? 
C19' P4 C13' 101.7(3) . . ? 
C19' P4 C26' 100.7(3) . . ? 
C13' P4 C26' 101.5(3) . . ? 
C19' P4 Re 117.7(2) . . ? 
C13' P4 Re 122.9(2) . . ? 
C26' P4 Re 109.2(2) . . ? 
C2 C1 C6 117.5(6) . . ? 
C2 C1 P1 120.9(5) . . ? 
C6 C1 P1 121.6(5) . . ? 
C1 C2 C3 119.7(7) . . ? 
C4 C3 C2 122.2(9) . . ? 
C3 C4 C5 118.9(8) . . ? 
C4 C5 C6 120.3(8) . . ? 
C5 C6 C1 121.4(8) . . ? 
C12 C7 C8 118.7(7) . . ? 
C12 C7 P1 121.9(5) . . ? 
C8 C7 P1 119.2(6) . . ? 
C9 C8 C7 120.5(9) . . ? 
C10 C9 C8 120.3(10) . . ? 
C11 C10 C9 120.3(9) . . ? 
C10 C11 C12 121.0(10) . . ? 
C7 C12 C11 119.2(9) . . ? 
C14 C13 C18 117.5(6) . . ? 
C14 C13 P2 122.9(5) . . ? 
C18 C13 P2 119.6(5) . . ? 
C13 C14 C15 120.5(7) . . ? 
C16 C15 C14 120.5(8) . . ? 
C17 C16 C15 119.5(7) . . ? 
C16 C17 C18 119.0(8) . . ? 
C13 C18 C17 123.0(8) . . ? 
C24 C19 C20 117.4(5) . . ? 
C24 C19 P2 121.7(4) . . ? 
C20 C19 P2 120.9(4) . . ? 
C21 C20 C19 121.5(6) . . ? 
C22 C21 C20 119.3(6) . . ? 
C23 C22 C21 120.3(6) . . ? 
C22 C23 C24 120.4(6) . . ? 
C23 C24 C19 121.2(6) . . ? 
C26 C25 P1 107.6(4) . . ? 
C25 C26 P2 111.0(4) . . ? 
C2' C1' C6' 118.2(7) . . ? 
C2' C1' P3 119.1(5) . . ? 
C6' C1' P3 122.6(5) . . ? 
C1' C2' C3' 120.8(8) . . ? 
C4' C3' C2' 120.4(9) . . ? 
C5' C4' C3' 119.6(9) . . ? 
C4' C5' C6' 121.2(9) . . ? 
C5' C6' C1' 119.7(9) . . ? 
C12' C7' C8' 118.1(5) . . ? 
C12' C7' P3 119.9(4) . . ? 
C8' C7' P3 121.9(5) . . ? 
C9' C8' C7' 120.9(6) . . ? 
C10' C9' C8' 120.0(7) . . ? 
C9' C10' C11' 120.1(7) . . ? 
C10' C11' C12' 120.4(7) . . ? 
C7' C12' C11' 120.4(6) . . ? 
C14' C13' C18' 117.5(6) . . ? 
C14' C13' P4 119.7(4) . . ? 
C18' C13' P4 122.8(4) . . ? 
C15' C14' C13' 121.6(6) . . ? 
C14' C15' C16' 120.1(6) . . ? 
C17' C16' C15' 119.4(6) . . ? 
C16' C17' C18' 120.7(6) . . ? 
C17' C18' C13' 120.6(6) . . ? 
C20' C19' C24' 118.0(6) . . ? 
C20' C19' P4 119.3(4) . . ? 
C24' C19' P4 122.6(5) . . ? 
C19' C20' C21' 120.5(6) . . ? 
C22' C21' C20' 120.6(7) . . ? 
C21' C22' C23' 120.0(7) . . ? 
C22' C23' C24' 120.2(7) . . ? 
C23' C24' C19' 120.5(7) . . ? 
C26' C25' P3 109.6(4) . . ? 
C25' C26' P4 112.2(4) . . ? 
O1 C27 Re 178.4(6) . . ? 
C28 O2 C28 119.9(28) . 2_656 ? 
C29 C28 O2 119.8(26) . . ? 
 
_refine_diff_density_max    0.778 
_refine_diff_density_min   -0.547 
_refine_diff_density_rms    0.067