data_2003572 _journal_name_full 'Acta Crystallographica' _journal_year 1995 _journal_volume C51 _journal_page_first 1078 _journal_page_last 1080 _publ_section_title ; trans-Dichlorooxo(2-propoxo)bis(triphenylphosphine)rhenium(V) ; _chemical_formula_moiety 'C39 H37 Cl2 O2 P2 Re1' _chemical_formula_sum 'C39 H37 Cl2 O2 P2 Re1' _chemical_formula_weight 856.73 loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' _symmetry_space_group_name_H-M 'P -1' _cell_length_a 9.594(5) _cell_length_b 12.430(5) _cell_length_c 16.893(9) _cell_angle_alpha 109.71(2) _cell_angle_beta 99.13(3) _cell_angle_gamma 105.90(3) _cell_volume 1753(2) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.624 _exptl_crystal_density_meas ? _diffrn_radiation_type 'MoK\a' _diffrn_radiation_wavelength 0.71073 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 8 _cell_measurement_theta_max 14 _exptl_absorpt_coefficient_mu 3.754 _cell_measurement_temperature 213(2) _exptl_crystal_description 'column' _exptl_crystal_size_max 0.5 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.2 _exptl_crystal_size_rad ? _exptl_crystal_colour 'violet' _chemical_compound_source ? _diffrn_measurement_device 'Enraf-Nonius CAD-4' _diffrn_measurement_method '\w/2\q' _exptl_absorpt_correction_type 'empirical via \y scan' _exptl_absorpt_correction_T_min 0.8959 _exptl_absorpt_correction_T_max 0.9996 _diffrn_reflns_number 8360 _reflns_number_total 7580 _reflns_number_observed 7115 _reflns_observed_criterion I>=2\s(I) _diffrn_reflns_av_R_equivalents 0.0164 _diffrn_reflns_theta_max 27 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min 1 _diffrn_reflns_limit_l_max 21 _diffrn_standards_number 3 _diffrn_standards_interval_count 200 _diffrn_standards_interval_time ? _diffrn_standards_decay_% 2.3 _refine_ls_structure_factor_coef F^2^ _refine_ls_R_factor_obs 0.0207 _refine_ls_wR_factor_obs 0.0509 _refine_ls_goodness_of_fit_obs 1.108 _refine_ls_number_reflns 7580 _refine_ls_number_parameters 535 _refine_ls_hydrogen_treatment 'refall' _refine_ls_weighting_scheme ; w = 1/[\s^2^(F~o~^2^) + (0.0282P)^2^ + 0.8269P] where P = (F~o~^2^ + 2F~c~^2^)/3 ; _refine_ls_shift/esd_max 0.000 _refine_diff_density_max 0.685 _refine_diff_density_min -0.638 _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? _atom_type_scat_source 'IntTabIV' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_u_iso_or_equiv Re .1676(1) .2282(1) .2465(1) .021(1) P(1) .0812(1) .3838(1) .2092(1) .023(1) P(2) .2258(1) .0603(1) .2807(1) .023(1) Cl(1) .2112(1) .1485(1) .1053(1) .028(1) Cl(2) .1559(1) .3231(1) .3941(1) .037(1) O(1) -.0171(2) .1389(2) .2160(1) .029(1) O(2) .3708(2) .3350(2) .2917(1) .031(1) C(1) .4842(4) .4295(3) .3682(2) .053(1) C(2) .5797(5) .3777(4) .4101(3) .074(1) C(3) .5682(6) .5307(4) .3490(4) .094(2) C(11) .0809(3) .5094(2) .3034(2) .028(1) C(12) .1845(4) .6271(3) .3320(2) .038(1) C(13) .1876(5) .7181(3) .4085(2) .052(1) C(14) .0890(4) .6932(4) .4567(2) .051(1) C(15) -.0134(4) .5771(3) .4282(2) .046(1) C(16) -.0171(4) .4859(3) .3531(2) .037(1) C(21) .1843(3) .4593(2) .1499(2) .027(1) C(22) .3245(3) .4539(3) .1440(2) .035(1) C(23) .4057(4) .5179(3) .1024(2) .044(1) C(24) .3488(4) .5870(3) .0681(2) .047(1) C(25) .2093(4) .5918(3) .0729(2) .046(1) C(26) .1258(4) .5283(3) .1133(2) .039(1) C(31) -.1128(3) .3098(2) .1393(2) .027(1) C(32) -.1476(3) .2010(3) .0668(2) .032(1) C(33) -.2926(4) .1390(3) .0126(2) .038(1) C(34) -.4072(3) .1815(3) .0318(2) .039(1) C(35) -.3748(3) .2887(3) .1029(2) .040(1) C(36) -.2277(3) .3543(3) .1561(2) .034(1) C(41) .2543(3) .0830(2) .3952(2) .028(1) C(42) .1365(4) .0954(3) .4326(2) .036(1) C(43) .1526(4) .1162(3) .5196(2) .045(1) C(44) .2838(5) .1234(4) .5701(2) .053(1) C(45) .4008(5) .1125(4) .5349(2) .054(1) C(46) .3881(4) .0932(3) .4475(2) .039(1) C(51) .3851(3) .0210(2) .2504(2) .027(1) C(52) .4955(3) .1010(3) .2330(2) .034(1) C(53) .6210(4) .0731(3) .2144(2) .043(1) C(54) .6347(4) -.0349(3) .2125(2) .044(1) C(55) .5232(4) -.1168(3) .2269(2) .040(1) C(56) .3977(3) -.0899(3) .2456(2) .035(1) C(61) .0652(3) -.0833(2) .2236(2) .027(1) C(62) .0155(4) -.1603(3) .2645(2) .039(1) C(63) -.1036(4) -.2703(3) .2185(3) .049(1) C(64) -.1707(4) -.3039(3) .1316(3) .049(1) C(65) -.1218(4) -.2290(3) .0899(2) .045(1) C(66) -.0040(3) -.1182(3) .1360(2) .035(1) H(1) .4309(4) .4624(3) .4100(2) .063 H(2A) .5170(5) .3121(4) .4206(3) .111 H(2B) .6469(5) .4401(4) .4646(3) .111 H(2C) .6374(5) .3474(4) .3722(3) .111 H(3A) .4990(6) .5595(4) .3220(4) .141 H(3B) .6257(6) .5032(4) .3100(4) .141 H(3C) .6352(6) .5959(4) .4025(4) .141 H(12) .2542(41) .6464(32) .2972(24) .047(10) H(13) .2494(45) .7900(37) .4255(26) .054(11) H(14) .1022(47) .7577(39) .5097(29) .068(13) H(15) -.0858(50) .5579(38) .4625(29) .069(13) H(16) -.0840(39) .4078(32) .3390(23) .040(9) H(22) .3619(34) .4067(28) .1680(20) .029(8) H(23) .4899(47) .5183(37) .0988(27) .059(12) H(24) .4048(42) .6233(34) .0387(25) .051(11) H(25) .1721(44) .6335(36) .0514(26) .054(11) H(26) .0355(40) .5327(31) .1164(22) .040(9) H(32) -.0742(43) .1757(34) .0566(25) .051(11) H(33) -.3165(41) .0709(34) -.0301(25) .048(10) H(34) -.5032(38) .1403(30) -.0039(22) .035(8) H(35) -.4533(42) .3145(33) .1173(24) .049(10) H(36) -.2081(35) .4307(29) .2072(21) .033(8) H(42) .0452(43) .0851(33) .3970(25) .050(10) H(43) .0692(41) .1279(32) .5392(24) .044(10) H(44) .2988(43) .1421(34) .6304(26) .053(11) H(45) .4957(49) .1198(38) .5694(28) .066(13) H(46) .4678(38) .0874(29) .4244(22) .035(9) H(52) .4811(34) .1757(28) .2316(20) .031(8) H(53) .6899(44) .1218(35) .2027(26) .054(11) H(54) .7136(39) -.0533(31) .1985(22) .039(9) H(55) .5225(41) -.1853(34) .2234(24) .046(10) H(56) .3231(37) -.1420(29) .2535(21) .033(8) H(62) .0615(37) -.1396(30) .3205(23) .037(9) H(63) -.1405(39) -.3159(32) .2432(23) .041(9) H(64) -.2489(47) -.3811(38) .0997(27) .061(12) H(65) -.1688(39) -.2487(32) .0345(24) .041(9) H(66) .0312(48) -.0729(39) .1031(29) .069(13)