#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:14:32 +0100 (vie 25 de mar de 2016) $
#$Revision: 179805 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/01/7010105.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_7010105
loop_
_publ_author_name
'Bera, Jitendra K.'
'Lau, Sophia S.'
'Fanwick, Phillip E.'
'Walton, Richard A.'
_publ_section_title
;
 Reactions of the dirhenium(III,III) complex
 cis-Re2(μ-O2CMe)2Cl4(H2O)2 that lead to the dirhenium(III,II)
 complexes Re2(μ-O2CMe)Cl4(PR3)2 and tetrarheniumcyclodiyne clusters
 of the type Re4(μ-O)4Cl4(PR3)4
;
_journal_issue                   23
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4277
_journal_paper_doi               10.1039/b005975g
_journal_year                    2000
_chemical_formula_sum            'C86 H92 Cl4 O18 P4 Re4'
_chemical_formula_weight         2424.19
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.1998(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.9995(7)
_cell_length_b                   23.5126(7)
_cell_length_c                   14.3633(7)
_cell_measurement_reflns_used    35082
_cell_measurement_temperature    296
_cell_measurement_theta_max      31
_cell_measurement_theta_min      4
_cell_volume                     4312.4(3)
_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_molecular_graphics
;
    ORTEP (Johnson, 1976)
    Xtal_GX (Hall, 1995)
    PLUTON (Spek, 1991)
;
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
_computing_structure_refinement  SHELX97_(Sheldrick,_1997)
_computing_structure_solution    Direct_methods_(SIR97,_Altomare_et_al.,_1997)
_diffrn_ambient_temperature      296
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.101
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35082
_diffrn_reflns_theta_max         31.02
_diffrn_reflns_theta_min         4.00
_exptl_absorpt_coefficient_mu    5.937
_exptl_absorpt_correction_T_max  0.7710
_exptl_absorpt_correction_T_min  0.3540
_exptl_absorpt_correction_type   refined_empirical_(Spek,_1997
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.87
_exptl_crystal_description       brick
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.97
_refine_diff_density_min         -2.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    H_atoms_riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         10854
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.062
_refine_ls_shift/su_max          0.074
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0359P)²+7.4940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.104
_reflns_number_gt                7175
_reflns_number_total             10854
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            b005975g.txt
_cod_data_source_block           RX473_
_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4312.4(6)
_cod_original_sg_symbol_H-M      'p 1 21/c 1'
_cod_database_code               7010105
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y+1/2, z+1/2'
loop_
_atom_site_label
_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_calc_flag
Re(1) 0.01528(2) 0.001175(12) 0.12737(3) 0.03960(11) Uani ?
Re(2) 0.12671(2) 0.016012(13) 0.05234(3) 0.03928(11) Uani ?
Re(3) 0.1044(4) -0.0352(2) 0.0837(5) 0.037(2) Uani ?
Re(4) 0.0397(5) 0.0518(2) 0.0938(5) 0.038(2) Uani ?
Cl(1) 0.04253(18) 0.06338(9) 0.26776(17) 0.0575(8) Uani ?
Cl(2) 0.28907(15) -0.02300(9) 0.15233(18) 0.0564(8) Uani ?
P(1) 0.09463(17) -0.07196(9) 0.26944(17) 0.0489(8) Uani ?
P(2) 0.21218(16) 0.10982(9) 0.12395(17) 0.0459(7) Uani ?
O(1) -0.0465(4) -0.0694(2) 0.0582(4) 0.0478(19) Uani ?
O(2) -0.1011(4) 0.0512(2) 0.0412(4) 0.051(2) Uani ?
O(117) -0.2803(6) -0.1451(4) 0.3252(7) 0.096(4) Uani ?
O(127) 0.3092(6) -0.2794(3) 0.2192(6) 0.084(3) Uani ?
O(137) 0.4161(6) -0.0084(3) 0.6875(6) 0.086(3) Uani ?
O(217) -0.0685(5) 0.3083(3) -0.0362(5) 0.068(3) Uani ?
O(227) 0.4758(6) 0.1592(3) 0.5748(6) 0.094(3) Uani ?
O(237) 0.5251(6) 0.1515(4) -0.0491(7) 0.101(4) Uani ?
O(901) 0.7965(10) 0.1358(5) 0.0944(11) 0.147(6) Uani ?
C(111) -0.0170(6) -0.0964(3) 0.2902(7) 0.050(3) Uani ?
C(112) -0.0609(8) -0.0619(4) 0.3417(9) 0.074(4) Uani ?
C(113) -0.1482(9) -0.0795(5) 0.3511(10) 0.087(6) Uani ?
C(114) -0.1921(8) -0.1311(4) 0.3111(9) 0.071(4) Uani ?
C(115) -0.1493(7) -0.1650(4) 0.2570(8) 0.068(4) Uani ?
C(116) -0.0628(7) -0.1466(4) 0.2466(7) 0.059(4) Uani ?
C(117) -0.3257(9) -0.1980(6) 0.2901(11) 0.100(6) Uani ?
C(121) 0.1510(6) -0.1368(3) 0.2442(7) 0.053(3) Uani ?
C(122) 0.1835(8) -0.1799(4) 0.3213(8) 0.069(4) Uani ?
C(123) 0.2338(8) -0.2271(4) 0.3080(9) 0.078(5) Uani ?
C(124) 0.2542(7) -0.2323(4) 0.2213(8) 0.061(4) Uani ?
C(125) 0.2189(7) -0.1906(4) 0.1443(7) 0.059(4) Uani ?
C(126) 0.1669(7) -0.1446(3) 0.1556(7) 0.052(3) Uani ?
C(127) 0.3434(10) -0.2844(5) 0.1376(10) 0.098(6) Uani ?
C(131) 0.1871(6) -0.0498(3) 0.3988(6) 0.051(3) Uani ?
C(132) 0.2634(7) -0.0123(4) 0.4089(7) 0.064(4) Uani ?
C(133) 0.3378(9) 0.0010(4) 0.5052(9) 0.079(5) Uani ?
C(134) 0.3378(8) -0.0232(4) 0.5954(7) 0.062(4) Uani ?
C(135) 0.2606(8) -0.0606(4) 0.5872(7) 0.071(4) Uani ?
C(136) 0.1844(8) -0.0735(4) 0.4898(7) 0.069(4) Uani ?
C(137) 0.4213(9) -0.0351(5) 0.7798(8) 0.094(5) Uani ?
C(211) 0.1290(6) 0.1709(3) 0.0754(6) 0.049(3) Uani ?
C(212) 0.1436(7) 0.2091(4) 0.0061(7) 0.057(4) Uani ?
C(213) 0.0797(7) 0.2556(4) -0.0321(7) 0.058(4) Uani ?
C(214) -0.0010(7) 0.2646(4) -0.0017(7) 0.057(3) Uani ?
C(215) -0.0150(7) 0.2266(4) 0.0665(7) 0.056(3) Uani ?
C(216) 0.0467(7) 0.1802(3) 0.1038(7) 0.054(4) Uani ?
C(217) -0.0586(10) 0.3454(5) -0.1139(9) 0.094(6) Uani ?
C(221) 0.2879(6) 0.1228(3) 0.2623(6) 0.050(3) Uani ?
C(222) 0.2590(8) 0.1611(4) 0.3221(8) 0.070(4) Uani ?
C(223) 0.3216(8) 0.1723(5) 0.4256(8) 0.081(4) Uani ?
C(224) 0.4181(8) 0.1463(5) 0.4724(8) 0.070(4) Uani ?
C(225) 0.4469(7) 0.1075(4) 0.4141(7) 0.060(4) Uani ?
C(226) 0.3822(6) 0.0969(4) 0.3120(7) 0.057(3) Uani ?
C(227) 0.5663(9) 0.1263(6) 0.6277(9) 0.111(6) Uani ?
C(231) 0.3073(6) 0.1201(3) 0.0708(7) 0.049(3) Uani ?
C(232) 0.3047(7) 0.0882(4) -0.0137(8) 0.061(4) Uani ?
C(233) 0.3783(8) 0.0973(5) -0.0548(8) 0.075(5) Uani ?
C(234) 0.4505(8) 0.1383(5) -0.0140(9) 0.070(4) Uani ?
C(235) 0.4515(9) 0.1711(4) 0.0688(9) 0.074(4) Uani ?
C(236) 0.3822(7) 0.1609(4) 0.1105(8) 0.065(4) Uani ?
C(237) 0.5378(12) 0.1138(6) -0.1171(13) 0.127(9) Uani ?
C(902) 0.7434(18) 0.0997(12) 0.1344(18) 0.26(2) Uani ?
H(112) -0.0313 -0.0271 0.3696 0.0960 Uiso calc
H(113) -0.1778 -0.0563 0.3848 0.1140 Uiso calc
H(115) -0.1791 -0.1996 0.2284 0.0880 Uiso calc
H(116) -0.0353 -0.1686 0.2094 0.0760 Uiso calc
H(11A) -0.3503 -0.1998 0.2152 0.1310 Uiso calc
H(11B) -0.3818 -0.2030 0.3099 0.1310 Uiso calc
H(11C) -0.2763 -0.2276 0.3210 0.1310 Uiso calc
H(122) 0.1709 -0.1764 0.3811 0.0900 Uiso calc
H(123) 0.2540 -0.2556 0.3585 0.1020 Uiso calc
H(125) 0.2310 -0.1942 0.0842 0.0770 Uiso calc
H(126) 0.1416 -0.1181 0.1019 0.0670 Uiso calc
H(12A) 0.2855 -0.2882 0.0716 0.1280 Uiso calc
H(12B) 0.3862 -0.3174 0.1496 0.1280 Uiso calc
H(12C) 0.3814 -0.2511 0.1363 0.1280 Uiso calc
H(132) 0.2648 0.0044 0.3493 0.0830 Uiso calc
H(133) 0.3889 0.0265 0.5101 0.1030 Uiso calc
H(135) 0.2598 -0.0772 0.6472 0.0920 Uiso calc
H(136) 0.1315 -0.0978 0.4847 0.0900 Uiso calc
H(13A) 0.3609 -0.0263 0.7903 0.1230 Uiso calc
H(13B) 0.4802 -0.0216 0.8384 0.1230 Uiso calc
H(13C) 0.4263 -0.0755 0.7734 0.1230 Uiso calc
H(212) 0.1967 0.2032 -0.0146 0.0740 Uiso calc
H(213) 0.0902 0.2808 -0.0779 0.0750 Uiso calc
H(215) -0.0678 0.2327 0.0875 0.0720 Uiso calc
H(216) 0.0344 0.1547 0.1481 0.0700 Uiso calc
H(21A) 0.0071 0.3636 -0.0850 0.1220 Uiso calc
H(21B) -0.1112 0.3738 -0.1342 0.1220 Uiso calc
H(21C) -0.0650 0.3235 -0.1742 0.1220 Uiso calc
H(222) 0.1963 0.1795 0.2912 0.0910 Uiso calc
H(223) 0.2999 0.1970 0.4643 0.1060 Uiso calc
H(225) 0.5095 0.0890 0.4442 0.0780 Uiso calc
H(226) 0.4027 0.0709 0.2743 0.0740 Uiso calc
H(22A) 0.5515 0.0868 0.6110 0.1450 Uiso calc
H(22B) 0.5899 0.1316 0.7020 0.1450 Uiso calc
H(22C) 0.6182 0.1385 0.6057 0.1450 Uiso calc
H(232) 0.2544 0.0607 -0.0433 0.0800 Uiso calc
H(233) 0.3774 0.0750 -0.1101 0.0970 Uiso calc
H(235) 0.4993 0.2000 0.0959 0.0960 Uiso calc
H(236) 0.3858 0.1822 0.1679 0.0840 Uiso calc
H(23A) 0.5588 0.0777 -0.0832 0.1650 Uiso calc
H(23B) 0.5891 0.1279 -0.1385 0.1650 Uiso calc
H(23C) 0.4745 0.1095 -0.1775 0.1650 Uiso calc
H(901) 0.8390 0.1174 0.0825 0.1920 Uiso calc
H(90A) 0.7783 0.0638 0.1533 0.3370 Uiso calc
H(90B) 0.6755 0.0937 0.0821 0.3370 Uiso calc
H(90C) 0.7401 0.1167 0.1952 0.3370 Uiso calc
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
Re(4) Re(1) Re(3) 88.8(3) ?
Re(4) Re(1) O(1) 134.2(3) ?
Re(3) Re(1) O(1) 71.0(2) ?
Re(4) Re(1) O(2) 63.3(3) ?
Re(3) Re(1) O(2) 126.7(2) ?
O(1) Re(1) O(2) 96.0(2) ?
Re(4) Re(1) Re(2) 51.9(2) ?
Re(3) Re(1) Re(2) 36.89(18) ?
O(1) Re(1) Re(2) 99.50(17) ?
O(2) Re(1) Re(2) 101.77(17) ?
Re(4) Re(1) Cl(1) 76.7(3) ?
Re(3) Re(1) Cl(1) 131.86(18) ?
O(1) Re(1) Cl(1) 146.48(17) ?
O(2) Re(1) Cl(1) 87.12(16) ?
Re(2) Re(1) Cl(1) 112.55(6) ?
Re(4) Re(1) P(1) 139.8(3) ?
Re(3) Re(1) P(1) 78.11(19) ?
O(1) Re(1) P(1) 77.08(15) ?
O(2) Re(1) P(1) 151.08(18) ?
Re(2) Re(1) P(1) 107.04(6) ?
Cl(1) Re(1) P(1) 84.16(7) ?
Re(4) Re(1) Re(2) 90.7(2) ?
Re(3) Re(1) Re(2) 88.98(18) ?
O(1) Re(1) Re(2) 49.71(14) ?
O(2) Re(1) Re(2) 50.29(15) ?
Re(2) Re(1) Re(2) 89.901(16) ?
Cl(1) Re(1) Re(2) 135.92(6) ?
P(1) Re(1) Re(2) 126.38(5) ?
Re(4) Re(1) Re(3) 62.2(3) ?
Re(3) Re(1) Re(3) 89.5(2) ?
O(1) Re(1) Re(3) 76.47(18) ?
O(2) Re(1) Re(3) 37.78(19) ?
Re(2) Re(1) Re(3) 73.62(13) ?
Cl(1) Re(1) Re(3) 120.92(12) ?
P(1) Re(1) Re(3) 153.25(12) ?
Re(2) Re(1) Re(3) 28.52(11) ?
Re(4) Re(1) Re(4) 90.1(3) ?
Re(3) Re(1) Re(4) 54.0(2) ?
O(1) Re(1) Re(4) 44.56(19) ?
O(2) Re(1) Re(4) 80.04(18) ?
Re(2) Re(1) Re(4) 62.78(11) ?
Cl(1) Re(1) Re(4) 164.73(11) ?
P(1) Re(1) Re(4) 111.04(11) ?
Re(2) Re(1) Re(4) 34.95(11) ?
Re(3) Re(1) Re(4) 44.44(15) ?
Re(3) Re(2) Re(4) 91.3(3) ?
Re(3) Re(2) O(1) 132.9(3) ?
Re(4) Re(2) O(1) 72.1(3) ?
Re(3) Re(2) O(2) 60.4(3) ?
Re(4) Re(2) O(2) 128.4(2) ?
O(1) Re(2) O(2) 95.7(2) ?
Re(3) Re(2) Re(1) 54.0(2) ?
Re(4) Re(2) Re(1) 37.27(18) ?
O(1) Re(2) Re(1) 99.55(16) ?
O(2) Re(2) Re(1) 101.94(17) ?
Re(3) Re(2) Cl(2) 76.8(2) ?
Re(4) Re(2) Cl(2) 130.0(2) ?
O(1) Re(2) Cl(2) 146.77(17) ?
O(2) Re(2) Cl(2) 87.30(15) ?
Re(1) Re(2) Cl(2) 112.23(6) ?
Re(3) Re(2) P(2) 141.6(2) ?
Re(4) Re(2) P(2) 75.60(19) ?
O(1) Re(2) P(2) 77.66(15) ?
O(2) Re(2) P(2) 152.26(18) ?
Re(1) Re(2) P(2) 105.70(5) ?
Cl(2) Re(2) P(2) 84.41(7) ?
Re(3) Re(2) Re(1) 88.8(2) ?
Re(4) Re(2) Re(1) 90.68(19) ?
O(1) Re(2) Re(1) 49.14(14) ?
O(2) Re(2) Re(1) 50.51(14) ?
Re(1) Re(2) Re(1) 90.099(16) ?
Cl(2) Re(2) Re(1) 136.34(6) ?
P(2) Re(2) Re(1) 126.52(5) ?
Re(3) Re(2) Re(4) 60.5(3) ?
Re(4) Re(2) Re(4) 90.2(2) ?
O(1) Re(2) Re(4) 75.38(18) ?
O(2) Re(2) Re(4) 38.98(19) ?
Re(1) Re(2) Re(4) 73.10(12) ?
Cl(2) Re(2) Re(4) 122.19(12) ?
P(2) Re(2) Re(4) 152.33(12) ?
Re(1) Re(2) Re(4) 28.29(11) ?
Re(3) Re(2) Re(3) 89.6(3) ?
Re(4) Re(2) Re(3) 54.4(2) ?
O(1) Re(2) Re(3) 44.64(19) ?
O(2) Re(2) Re(3) 81.31(18) ?
Re(1) Re(2) Re(3) 61.84(12) ?
Cl(2) Re(2) Re(3) 165.38(11) ?
P(2) Re(2) Re(3) 109.86(11) ?
Re(1) Re(2) Re(3) 36.28(11) ?
Re(4) Re(2) Re(3) 44.30(15) ?
Re(2) Re(3) O(2) 77.6(3) ?
Re(2) Re(3) Re(1) 89.1(3) ?
O(2) Re(3) Re(1) 133.4(4) ?
Re(2) Re(3) O(1) 128.1(4) ?
O(2) Re(3) O(1) 97.8(3) ?
Re(1) Re(3) O(1) 56.7(2) ?
Re(2) Re(3) Re(4) 51.9(2) ?
O(2) Re(3) Re(4) 114.0(4) ?
Re(1) Re(3) Re(4) 37.22(19) ?
O(1) Re(3) Re(4) 86.5(3) ?
Re(2) Re(3) Cl(2) 70.2(3) ?
O(2) Re(3) Cl(2) 89.9(3) ?
Re(1) Re(3) Cl(2) 127.3(3) ?
O(1) Re(3) Cl(2) 161.2(3) ?
Re(4) Re(3) Cl(2) 106.0(3) ?
Re(2) Re(3) Re(4) 91.5(3) ?
O(2) Re(3) Re(4) 46.9(3) ?
Re(1) Re(3) Re(4) 89.9(3) ?
O(1) Re(3) Re(4) 55.2(2) ?
Re(4) Re(3) Re(4) 90.5(3) ?
Cl(2) Re(3) Re(4) 136.5(3) ?
Re(2) Re(3) P(1) 132.8(3) ?
O(2) Re(3) P(1) 149.5(3) ?
Re(1) Re(3) P(1) 61.84(18) ?
O(1) Re(3) P(1) 67.4(2) ?
Re(4) Re(3) P(1) 92.4(3) ?
Cl(2) Re(3) P(1) 97.5(2) ?
Re(4) Re(3) P(1) 122.2(3) ?
Re(2) Re(3) Re(1) 62.7(2) ?
O(2) Re(3) Re(1) 43.7(2) ?
Re(1) Re(3) Re(1) 90.5(2) ?
O(1) Re(3) Re(1) 78.5(2) ?
Re(4) Re(3) Re(1) 74.0(2) ?
Cl(2) Re(3) Re(1) 118.1(2) ?
Re(4) Re(3) Re(1) 28.79(14) ?
P(1) Re(3) Re(1) 144.1(2) ?
Re(2) Re(3) Re(2) 90.4(3) ?
O(2) Re(3) Re(2) 80.6(3) ?
Re(1) Re(3) Re(2) 54.74(15) ?
O(1) Re(3) Re(2) 38.78(16) ?
Re(4) Re(3) Re(2) 63.0(2) ?
Cl(2) Re(3) Re(2) 160.0(3) ?
Re(4) Re(3) Re(2) 35.14(15) ?
P(1) Re(3) Re(2) 99.60(19) ?
Re(1) Re(3) Re(2) 44.54(8) ?
Re(1) Re(4) Re(2) 90.8(3) ?
Re(1) Re(4) O(2) 74.9(3) ?
Re(2) Re(4) O(2) 131.6(4) ?
Re(1) Re(4) O(1) 127.6(4) ?
Re(2) Re(4) O(1) 57.5(2) ?
O(2) Re(4) O(1) 95.2(3) ?
Re(1) Re(4) Re(3) 54.0(2) ?
Re(2) Re(4) Re(3) 36.8(2) ?
O(2) Re(4) Re(3) 112.2(3) ?
O(1) Re(4) Re(3) 85.9(3) ?
Re(1) Re(4) Cl(1) 70.0(2) ?
Re(2) Re(4) Cl(1) 130.5(3) ?
O(2) Re(4) Cl(1) 88.1(3) ?
O(1) Re(4) Cl(1) 162.4(3) ?
Re(3) Re(4) Cl(1) 108.9(3) ?
Re(1) Re(4) Re(3) 89.0(3) ?
Re(2) Re(4) Re(3) 90.5(3) ?
O(2) Re(4) Re(3) 44.4(3) ?
O(1) Re(4) Re(3) 54.8(2) ?
Re(3) Re(4) Re(3) 89.5(3) ?
Cl(1) Re(4) Re(3) 132.2(3) ?
Re(1) Re(4) P(2) 136.7(3) ?
Re(2) Re(4) P(2) 64.58(19) ?
O(2) Re(4) P(2) 148.1(3) ?
O(1) Re(4) P(2) 69.9(2) ?
Re(3) Re(4) P(2) 95.3(3) ?
Cl(1) Re(4) P(2) 98.5(2) ?
Re(3) Re(4) P(2) 124.0(3) ?
Re(1) Re(4) Re(2) 61.0(2) ?
Re(2) Re(4) Re(2) 89.8(2) ?
O(2) Re(4) Re(2) 42.7(2) ?
O(1) Re(4) Re(2) 76.9(2) ?
Re(3) Re(4) Re(2) 72.7(2) ?
Cl(1) Re(4) Re(2) 116.0(2) ?
Re(3) Re(4) Re(2) 28.02(15) ?
P(2) Re(4) Re(2) 145.4(2) ?
Re(1) Re(4) Re(1) 89.9(3) ?
Re(2) Re(4) Re(1) 54.37(15) ?
O(2) Re(4) Re(1) 79.1(3) ?
O(1) Re(4) Re(1) 38.10(16) ?
Re(3) Re(4) Re(1) 61.6(2) ?
Cl(1) Re(4) Re(1) 158.5(2) ?
Re(3) Re(4) Re(1) 36.09(15) ?
P(2) Re(4) Re(1) 101.47(19) ?
Re(2) Re(4) Re(1) 44.12(8) ?
Re(1) Cl(1) Re(4) 33.37(13) ?
Re(2) Cl(2) Re(3) 32.98(14) ?
C(121) P(1) C(131) 103.3(4) ?
C(121) P(1) C(111) 104.7(4) ?
C(131) P(1) C(111) 105.0(4) ?
C(121) P(1) Re(1) 120.6(3) ?
C(131) P(1) Re(1) 119.8(3) ?
C(111) P(1) Re(1) 101.4(3) ?
C(121) P(1) Re(3) 83.3(3) ?
C(131) P(1) Re(3) 122.7(3) ?
C(111) P(1) Re(3) 128.6(3) ?
Re(1) P(1) Re(3) 40.05(12) ?
C(211) P(2) C(221) 106.3(4) ?
C(211) P(2) C(231) 103.4(4) ?
C(221) P(2) C(231) 101.1(4) ?
C(211) P(2) Re(2) 113.9(3) ?
C(221) P(2) Re(2) 123.5(3) ?
C(231) P(2) Re(2) 106.2(3) ?
C(211) P(2) Re(4) 85.4(3) ?
C(221) P(2) Re(4) 111.1(3) ?
C(231) P(2) Re(4) 142.8(3) ?
Re(2) P(2) Re(4) 39.82(13) ?
Re(1) O(1) Re(2) 81.15(19) ?
Re(1) O(1) Re(3) 52.30(19) ?
Re(2) O(1) Re(3) 96.6(3) ?
Re(1) O(1) Re(4) 97.3(3) ?
Re(2) O(1) Re(4) 50.39(19) ?
Re(3) O(1) Re(4) 70.0(3) ?
Re(3) O(2) Re(4) 88.7(4) ?
Re(3) O(2) Re(2) 42.1(2) ?
Re(4) O(2) Re(2) 98.4(3) ?
Re(3) O(2) Re(1) 98.5(3) ?
Re(4) O(2) Re(1) 41.8(2) ?
Re(2) O(2) Re(1) 79.19(19) ?
C(117) O(117) C(114) 118.6(9) ?
C(124) O(127) C(127) 118.5(8) ?
C(134) O(137) C(137) 117.7(9) ?
C(214) O(217) C(217) 116.6(8) ?
C(224) O(227) C(227) 117.1(9) ?
C(237) O(237) C(234) 116.5(10) ?
C(116) C(111) C(112) 119.7(9) ?
C(116) C(111) P(1) 119.4(7) ?
C(112) C(111) P(1) 120.6(7) ?
C(113) C(112) C(111) 119.8(9) ?
C(114) C(113) C(112) 120.5(10) ?
C(113) C(114) O(117) 116.1(10) ?
C(113) C(114) C(115) 119.5(10) ?
O(117) C(114) C(115) 124.4(10) ?
C(116) C(115) C(114) 119.5(9) ?
C(111) C(116) C(115) 120.9(9) ?
C(126) C(121) C(122) 118.2(8) ?
C(126) C(121) P(1) 122.8(6) ?
C(122) C(121) P(1) 119.0(8) ?
C(123) C(122) C(121) 120.1(10) ?
C(124) C(123) C(122) 120.5(9) ?
C(123) C(124) O(127) 115.3(9) ?
C(123) C(124) C(125) 118.9(9) ?
O(127) C(124) C(125) 125.8(9) ?
C(126) C(125) C(124) 120.9(9) ?
C(125) C(126) C(121) 121.3(8) ?
C(132) C(131) C(136) 118.7(8) ?
C(132) C(131) P(1) 120.8(7) ?
C(136) C(131) P(1) 120.4(7) ?
C(131) C(132) C(133) 121.2(9) ?
C(132) C(133) C(134) 120.8(10) ?
O(137) C(134) C(135) 124.3(9) ?
O(137) C(134) C(133) 116.7(10) ?
C(135) C(134) C(133) 119.0(9) ?
C(134) C(135) C(136) 120.2(9) ?
C(135) C(136) C(131) 120.0(9) ?
C(212) C(211) C(216) 118.5(8) ?
C(212) C(211) P(2) 120.3(7) ?
C(216) C(211) P(2) 121.1(6) ?
C(213) C(212) C(211) 120.7(9) ?
C(212) C(213) C(214) 120.0(8) ?
O(217) C(214) C(215) 116.7(9) ?
O(217) C(214) C(213) 124.3(8) ?
C(215) C(214) C(213) 118.9(8) ?
C(216) C(215) C(214) 121.6(9) ?
C(215) C(216) C(211) 120.2(8) ?
C(226) C(221) C(222) 116.8(8) ?
C(226) C(221) P(2) 119.7(7) ?
C(222) C(221) P(2) 123.4(7) ?
C(223) C(222) C(221) 121.6(9) ?
C(222) C(223) C(224) 119.9(9) ?
O(227) C(224) C(225) 124.2(9) ?
O(227) C(224) C(223) 116.8(9) ?
C(225) C(224) C(223) 118.9(9) ?
C(226) C(225) C(224) 119.5(9) ?
C(225) C(226) C(221) 123.3(9) ?
C(236) C(231) C(232) 117.7(9) ?
C(236) C(231) P(2) 121.4(7) ?
C(232) C(231) P(2) 120.9(7) ?
C(231) C(232) C(233) 120.1(9) ?
C(234) C(233) C(232) 120.4(10) ?
C(233) C(234) O(237) 125.3(11) ?
C(233) C(234) C(235) 119.4(10) ?
O(237) C(234) C(235) 115.3(10) ?
C(236) C(235) C(234) 120.0(10) ?
C(235) C(236) C(231) 122.4(10) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Re(1) Re(4) 1.376(6) ?
Re(1) Re(3) 1.840(6) ?
Re(1) O(1) 1.943(5) ?
Re(1) O(2) 1.995(5) ?
Re(1) Re(2) 2.2726(5) ?
Re(1) Cl(1) 2.350(2) ?
Re(1) P(1) 2.521(2) ?
Re(1) Re(2) 2.5388(5) ?
Re(1) Re(3) 2.857(6) ?
Re(1) Re(4) 3.123(6) ?
Re(2) Re(3) 1.364(6) ?
Re(2) Re(4) 1.789(6) ?
Re(2) O(1) 1.960(5) ?
Re(2) O(2) 1.988(5) ?
Re(2) Cl(2) 2.359(2) ?
Re(2) P(2) 2.524(2) ?
Re(2) Re(1) 2.5389(5) ?
Re(2) Re(4) 2.903(6) ?
Re(2) Re(3) 3.109(6) ?
Re(3) O(2) 1.770(8) ?
Re(3) O(1) 2.199(8) ?
Re(3) Re(4) 2.275(8) ?
Re(3) Cl(2) 2.440(6) ?
Re(3) Re(4) 2.528(8) ?
Re(3) P(1) 2.798(7) ?
Re(3) Re(1) 2.857(6) ?
Re(3) Re(2) 3.109(6) ?
Re(4) O(2) 1.846(8) ?
Re(4) O(1) 2.210(8) ?
Re(4) Cl(1) 2.434(6) ?
Re(4) Re(3) 2.528(8) ?
Re(4) P(2) 2.706(6) ?
Re(4) Re(2) 2.903(6) ?
Re(4) Re(1) 3.123(6) ?
P(1) C(121) 1.827(9) ?
P(1) C(131) 1.829(8) ?
P(1) C(111) 1.835(9) ?
P(2) C(211) 1.813(8) ?
P(2) C(221) 1.817(8) ?
P(2) C(231) 1.820(9) ?
O(1) Re(2) 1.960(5) ?
O(1) Re(4) 2.210(8) ?
O(2) Re(3) 1.770(8) ?
O(2) Re(2) 1.988(5) ?
O(117) C(117) 1.398(14) ?
O(117) C(114) 1.400(12) ?
O(127) C(124) 1.367(10) ?
O(127) C(127) 1.422(13) ?
O(137) C(134) 1.363(11) ?
O(137) C(137) 1.411(13) ?
O(217) C(214) 1.359(10) ?
O(217) C(217) 1.446(12) ?
O(227) C(224) 1.364(11) ?
O(227) C(227) 1.431(13) ?
O(237) C(237) 1.366(14) ?
O(237) C(234) 1.385(12) ?
C(111) C(116) 1.367(12) ?
C(111) C(112) 1.397(12) ?
C(112) C(113) 1.377(14) ?
C(113) C(114) 1.376(14) ?
C(114) C(115) 1.402(14) ?
C(115) C(116) 1.379(13) ?
C(121) C(126) 1.362(12) ?
C(121) C(122) 1.413(12) ?
C(122) C(123) 1.379(13) ?
C(123) C(124) 1.366(14) ?
C(124) C(125) 1.389(12) ?
C(125) C(126) 1.360(12) ?
C(131) C(132) 1.367(12) ?
C(131) C(136) 1.405(12) ?
C(132) C(133) 1.370(14) ?
C(133) C(134) 1.384(14) ?
C(134) C(135) 1.383(13) ?
C(135) C(136) 1.388(12) ?
C(211) C(212) 1.400(11) ?
C(211) C(216) 1.410(12) ?
C(212) C(213) 1.386(11) ?
C(213) C(214) 1.404(12) ?
C(214) C(215) 1.382(12) ?
C(215) C(216) 1.367(11) ?
C(221) C(226) 1.386(11) ?
C(221) C(222) 1.402(12) ?
C(222) C(223) 1.382(13) ?
C(223) C(224) 1.407(14) ?
C(224) C(225) 1.396(13) ?
C(225) C(226) 1.370(12) ?
C(231) C(236) 1.377(12) ?
C(231) C(232) 1.390(12) ?
C(232) C(233) 1.412(13) ?
C(233) C(234) 1.359(14) ?
C(234) C(235) 1.387(15) ?
C(235) C(236) 1.366(14) ?
O(901) C(902) 1.403(19) ?
