#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:16:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179807 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/03/7010370.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_7010370
loop_
_publ_author_name
'Bera, Jitendra K.'
'Fanwick, Phillip E.'
'Walton, Richard A.'
_publ_section_title
;
 Decarboxylation reactions of alkyne-carboxylic acids as a route to
 multiply bonded [Re2]n+ μ-alkyne and μ-carbyne complexes
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              109
_journal_paper_doi               10.1039/b008265l
_journal_year                    2001
_chemical_formula_sum            'C57 H58.32 Cl13 O0.66 P4 Re2'
_chemical_formula_weight         1711.15
_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                 101.5817(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4448(3)
_cell_length_b                   18.7581(5)
_cell_length_c                   27.8011(8)
_cell_measurement_reflns_used    54443
_cell_measurement_temperature    173
_cell_measurement_theta_max      28
_cell_measurement_theta_min      4
_cell_volume                     6357.8(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    PATTY_(DIRDIF92,_Beurskins,_1992)
_diffrn_ambient_temperature      173
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.073
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            54443
_diffrn_reflns_theta_max         28.68
_diffrn_reflns_theta_min         4.00
_exptl_absorpt_coefficient_mu    4.546
_exptl_absorpt_correction_T_max  0.4777
_exptl_absorpt_correction_T_min  0.1877
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.79
_exptl_crystal_description       needle
_exptl_crystal_F_000             3348
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.77
_refine_diff_density_min         -3.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    H_atoms_riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     705
_refine_ls_number_reflns         15596
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.081
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0346P)²+154.5642P] where P=(Fo²+2Fc²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.168
_reflns_number_gt                12134
_reflns_number_total             16031
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            b008265l.txt
_cod_data_source_block           COMPLEX3
_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        6357.8(5)
_cod_original_sg_symbol_H-M      'p 1 21/c 1'
_cod_database_code               7010370
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) 0.06769(4) 0.26405(2) 0.186245(15) 0.03407(12) Uani ?
Re(2) -0.05863(4) 0.27207(2) 0.102998(15) 0.03462(12) Uani ?
Cl(B) 0.0107(3) 0.37762(15) 0.14834(10) 0.0391(8) Uani ?
Cl(11) 0.1659(3) 0.33190(17) 0.25790(10) 0.0423(8) Uani ?
Cl(12) 0.1542(3) 0.16382(16) 0.23453(11) 0.0450(9) Uani ?
Cl(21) -0.1492(3) 0.35179(16) 0.03659(10) 0.0423(9) Uani ?
Cl(22) -0.1569(3) 0.18271(17) 0.04817(11) 0.0474(9) Uani ?
Cl(8A) 0.4658(13) 0.0613(9) 0.8544(6) 0.118(5) Uani ?
Cl(8B) 0.4730(12) 0.0789(7) 0.8212(6) 0.104(5) Uani ?
Cl(91) 0.7454(4) 0.3238(2) 0.89098(16) 0.0745(14) Uani ?
Cl(92) 0.6152(4) 0.2011(2) 0.90899(15) 0.0703(13) Uani ?
Cl(93) 0.4082(4) 0.3346(2) 0.87708(15) 0.0708(13) Uani ?
Cl(94) 0.2805(4) 0.2112(3) 0.89672(14) 0.0760(14) Uani ?
Cl(95) 0.3476(6) 0.4844(3) 0.4698(2) 0.107(2) Uani ?
Cl(96) 0.2909(7) 0.5115(3) 0.5641(2) 0.127(3) Uani ?
Cl(97) 0.2996(5) -0.0162(3) 0.7892(2) 0.112(2) Uani ?
P(1) 0.2402(3) 0.27195(17) 0.15525(10) 0.0372(8) Uani ?
P(2) 0.0905(3) 0.26386(17) 0.05624(10) 0.0374(8) Uani ?
P(3) -0.0797(3) 0.25622(16) 0.23396(10) 0.0350(8) Uani ?
P(4) -0.2298(3) 0.27949(17) 0.13623(10) 0.0354(8) Uani ?
O(1W) 0.468(2) 0.5652(9) 0.0191(6) 0.104(10) Uani ?
C(11) 0.0013(10) 0.1896(6) 0.1412(4) 0.034(3) Uani ?
C(12) 0.0142(15) 0.1089(8) 0.1330(5) 0.071(5) Uani ?
C(13) -0.0771(17) 0.0696(11) 0.1483(7) 0.091(8) Uani ?
C(1B) 0.2161(10) 0.2267(7) 0.0952(4) 0.037(3) Uani ?
C(2B) -0.2065(10) 0.2275(6) 0.1929(4) 0.039(3) Uani ?
C(111) 0.3610(11) 0.2261(7) 0.1911(4) 0.042(4) Uani ?
C(112) 0.3785(12) 0.1547(8) 0.1865(5) 0.056(5) Uani ?
C(113) 0.4656(14) 0.1204(9) 0.2161(6) 0.073(6) Uani ?
C(114) 0.5297(13) 0.1598(10) 0.2537(6) 0.071(6) Uani ?
C(115) 0.5100(12) 0.2299(9) 0.2606(5) 0.056(4) Uani ?
C(116) 0.4243(11) 0.2640(8) 0.2299(4) 0.047(4) Uani ?
C(121) 0.2969(11) 0.3579(6) 0.1432(4) 0.041(4) Uani ?
C(122) 0.3701(11) 0.3622(8) 0.1111(4) 0.045(4) Uani ?
C(123) 0.4096(12) 0.4264(9) 0.0998(5) 0.057(5) Uani ?
C(124) 0.3798(12) 0.4892(8) 0.1204(5) 0.057(5) Uani ?
C(125) 0.3124(12) 0.4862(8) 0.1536(5) 0.054(5) Uani ?
C(126) 0.2704(11) 0.4195(7) 0.1654(4) 0.045(4) Uani ?
C(211) 0.0619(11) 0.2032(7) 0.0043(4) 0.044(4) Uani ?
C(212) -0.0118(12) 0.2267(8) -0.0367(4) 0.053(4) Uani ?
C(213) -0.0408(14) 0.1824(9) -0.0774(5) 0.068(5) Uani ?
C(214) -0.0009(16) 0.1129(11) -0.0760(6) 0.093(7) Uani ?
C(215) 0.069(2) 0.0905(12) -0.0350(8) 0.134(9) Uani ?
C(216) 0.1015(15) 0.1341(9) 0.0049(5) 0.076(6) Uani ?
C(221) 0.1389(11) 0.3444(7) 0.0291(4) 0.041(4) Uani ?
C(222) 0.1075(12) 0.4113(7) 0.0401(4) 0.045(4) Uani ?
C(223) 0.1474(12) 0.4696(8) 0.0185(5) 0.053(5) Uani ?
C(224) 0.2134(15) 0.4609(9) -0.0151(5) 0.069(6) Uani ?
C(225) 0.2462(14) 0.3935(9) -0.0258(5) 0.062(5) Uani ?
C(226) 0.2103(11) 0.3348(7) -0.0041(4) 0.045(4) Uani ?
C(311) -0.0543(11) 0.1901(6) 0.2833(4) 0.042(4) Uani ?
C(312) 0.0139(12) 0.2084(7) 0.3268(4) 0.048(4) Uani ?
C(313) 0.0427(13) 0.1580(9) 0.3641(5) 0.060(5) Uani ?
C(314) 0.0016(14) 0.0906(9) 0.3569(6) 0.065(5) Uani ?
C(315) -0.0680(13) 0.0714(8) 0.3143(6) 0.058(5) Uani ?
C(316) -0.0972(13) 0.1218(7) 0.2770(5) 0.056(5) Uani ?
C(321) -0.1216(10) 0.3345(6) 0.2653(4) 0.036(3) Uani ?
C(322) -0.0897(11) 0.4031(6) 0.2562(4) 0.043(4) Uani ?
C(323) -0.1311(12) 0.4621(7) 0.2769(5) 0.048(4) Uani ?
C(324) -0.2030(12) 0.4503(7) 0.3071(4) 0.048(4) Uani ?
C(325) -0.2364(11) 0.3831(8) 0.3172(4) 0.049(4) Uani ?
C(326) -0.1957(11) 0.3245(7) 0.2961(4) 0.046(4) Uani ?
C(411) -0.3523(10) 0.2418(7) 0.0985(5) 0.045(4) Uani ?
C(412) -0.3967(12) 0.1763(8) 0.1088(6) 0.061(5) Uani ?
C(413) -0.4874(15) 0.1483(10) 0.0755(8) 0.086(7) Uani ?
C(414) -0.5363(12) 0.1856(9) 0.0353(6) 0.059(5) Uani ?
C(415) -0.4950(11) 0.2519(10) 0.0250(5) 0.059(5) Uani ?
C(416) -0.4034(10) 0.2795(8) 0.0571(4) 0.048(4) Uani ?
C(421) -0.2786(10) 0.3659(6) 0.1531(4) 0.036(3) Uani ?
C(422) -0.2440(12) 0.4291(6) 0.1354(4) 0.044(4) Uani ?
C(423) -0.2816(12) 0.4932(7) 0.1504(5) 0.048(4) Uani ?
C(424) -0.3517(12) 0.4947(8) 0.1832(5) 0.053(5) Uani ?
C(425) -0.3879(11) 0.4328(7) 0.1993(4) 0.046(4) Uani ?
C(426) -0.3533(11) 0.3686(7) 0.1846(4) 0.044(4) Uani ?
C(901) 0.6915(14) 0.2754(9) 0.9345(5) 0.068(5) Uani ?
C(902) 0.3305(16) 0.2610(10) 0.8524(5) 0.078(6) Uani ?
C(903) 0.3348(19) 0.5473(10) 0.5127(7) 0.095(8) Uani ?
C(904) 0.335(2) 0.0439(14) 0.8346(8) 0.122(9) Uani ?
H(112) 0.3308 0.1286 0.1629 0.0730 Uiso calc
H(113) 0.4809 0.0727 0.2112 0.0950 Uiso calc
H(114) 0.5876 0.1375 0.2747 0.0930 Uiso calc
H(115) 0.5541 0.2549 0.2861 0.0720 Uiso calc
H(116) 0.4090 0.3116 0.2349 0.0610 Uiso calc
H(122) 0.3919 0.3208 0.0974 0.0590 Uiso calc
H(123) 0.4572 0.4283 0.0780 0.0740 Uiso calc
H(124) 0.4056 0.5329 0.1116 0.0740 Uiso calc
H(125) 0.2941 0.5278 0.1684 0.0700 Uiso calc
H(126) 0.2249 0.4174 0.1881 0.0590 Uiso calc
H(12A) 0.0116 0.1001 0.0990 0.0847 Uiso calc
H(12B) 0.0819 0.0929 0.1524 0.0847 Uiso calc
H(13A) -0.0792 0.0813 0.1817 0.1190 Uiso calc
H(13B) -0.0658 0.0193 0.1456 0.1190 Uiso calc
H(13C) -0.1453 0.0829 0.1274 0.1190 Uiso calc
H(1B1) 0.2073 0.1759 0.0996 0.0480 Uiso calc
H(1B2) 0.2783 0.2339 0.0796 0.0480 Uiso calc
H(212) -0.0420 0.2721 -0.0370 0.0690 Uiso calc
H(213) -0.0871 0.1992 -0.1056 0.0880 Uiso calc
H(214) -0.0216 0.0826 -0.1027 0.1210 Uiso calc
H(215) 0.0951 0.0440 -0.0338 0.1750 Uiso calc
H(216) 0.1503 0.1173 0.0324 0.0980 Uiso calc
H(222) 0.0602 0.4176 0.0617 0.0590 Uiso calc
H(223) 0.1291 0.5154 0.0269 0.0680 Uiso calc
H(224) 0.2361 0.5004 -0.0307 0.0900 Uiso calc
H(225) 0.2928 0.3878 -0.0478 0.0800 Uiso calc
H(226) 0.2326 0.2893 -0.0111 0.0580 Uiso calc
H(2B1) -0.2013 0.1773 0.1852 0.0520 Uiso calc
H(2B2) -0.2679 0.2336 0.2091 0.0520 Uiso calc
H(312) 0.0411 0.2546 0.3313 0.0630 Uiso calc
H(313) 0.0893 0.1702 0.3935 0.0780 Uiso calc
H(314) 0.0213 0.0568 0.3816 0.0840 Uiso calc
H(315) -0.0956 0.0252 0.3102 0.0750 Uiso calc
H(316) -0.1452 0.1095 0.2480 0.0730 Uiso calc
H(322) -0.0396 0.4099 0.2359 0.0560 Uiso calc
H(323) -0.1103 0.5081 0.2703 0.0620 Uiso calc
H(324) -0.2305 0.4893 0.3214 0.0630 Uiso calc
H(325) -0.2858 0.3769 0.3380 0.0630 Uiso calc
H(326) -0.2179 0.2788 0.3026 0.0600 Uiso calc
H(412) -0.3667 0.1515 0.1374 0.0790 Uiso calc
H(413) -0.5141 0.1034 0.0811 0.1120 Uiso calc
H(414) -0.5978 0.1670 0.0145 0.0760 Uiso calc
H(415) -0.5279 0.2772 -0.0029 0.0770 Uiso calc
H(416) -0.3763 0.3239 0.0507 0.0630 Uiso calc
H(422) -0.1960 0.4284 0.1137 0.0570 Uiso calc
H(423) -0.2596 0.5358 0.1382 0.0630 Uiso calc
H(424) -0.3738 0.5380 0.1942 0.0690 Uiso calc
H(425) -0.4368 0.4338 0.2205 0.0600 Uiso calc
H(426) -0.3795 0.3265 0.1956 0.0570 Uiso calc
H(90A) 0.6448 0.3064 0.9493 0.0880 Uiso calc
H(90B) 0.7512 0.2595 0.9603 0.0880 Uiso calc
H(90C) 0.3754 0.2304 0.8364 0.1020 Uiso calc
H(90D) 0.2691 0.2773 0.8277 0.1020 Uiso calc
H(90E) 0.2825 0.5832 0.4976 0.1230 Uiso calc
H(90F) 0.4050 0.5707 0.5235 0.1230 Uiso calc
H(90G) 0.2988 0.0884 0.8235 0.1600 Uiso calc
H(90H) 0.3055 0.0277 0.8624 0.1600 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
C(11) Re(1) Cl(B) 107.6(3) ?
C(11) Re(1) Cl(12) 83.4(3) ?
Cl(B) Re(1) Cl(12) 168.46(11) ?
C(11) Re(1) Cl(11) 165.1(3) ?
Cl(B) Re(1) Cl(11) 87.24(10) ?
Cl(12) Re(1) Cl(11) 82.00(10) ?
C(11) Re(1) P(1) 96.0(4) ?
Cl(B) Re(1) P(1) 89.69(11) ?
Cl(12) Re(1) P(1) 85.40(11) ?
Cl(11) Re(1) P(1) 85.79(10) ?
C(11) Re(1) P(3) 92.2(4) ?
Cl(B) Re(1) P(3) 95.84(11) ?
Cl(12) Re(1) P(3) 87.23(11) ?
Cl(11) Re(1) P(3) 84.17(10) ?
P(1) Re(1) P(3) 168.28(10) ?
C(11) Re(1) Re(2) 49.3(3) ?
Cl(B) Re(1) Re(2) 58.32(7) ?
Cl(12) Re(1) Re(2) 132.55(8) ?
Cl(11) Re(1) Re(2) 145.45(8) ?
P(1) Re(1) Re(2) 95.81(7) ?
P(3) Re(1) Re(2) 95.89(7) ?
C(11) Re(2) Cl(B) 108.1(3) ?
C(11) Re(2) Cl(22) 83.3(3) ?
Cl(B) Re(2) Cl(22) 168.05(11) ?
C(11) Re(2) Cl(21) 164.1(3) ?
Cl(B) Re(2) Cl(21) 87.44(10) ?
Cl(22) Re(2) Cl(21) 81.46(10) ?
C(11) Re(2) P(2) 89.5(4) ?
Cl(B) Re(2) P(2) 95.63(11) ?
Cl(22) Re(2) P(2) 87.92(11) ?
Cl(21) Re(2) P(2) 85.57(10) ?
C(11) Re(2) P(4) 96.1(4) ?
Cl(B) Re(2) P(4) 90.18(11) ?
Cl(22) Re(2) P(4) 84.88(11) ?
Cl(21) Re(2) P(4) 86.98(10) ?
P(2) Re(2) P(4) 170.33(9) ?
C(11) Re(2) Re(1) 49.5(3) ?
Cl(B) Re(2) Re(1) 58.59(7) ?
Cl(22) Re(2) Re(1) 132.61(8) ?
Cl(21) Re(2) Re(1) 145.94(7) ?
P(2) Re(2) Re(1) 94.76(7) ?
P(4) Re(2) Re(1) 94.86(7) ?
Re(2) Cl(B) Re(1) 63.10(7) ?
C(121) P(1) C(111) 102.1(6) ?
C(121) P(1) C(1B) 104.0(6) ?
C(111) P(1) C(1B) 104.0(5) ?
C(121) P(1) Re(1) 120.9(5) ?
C(111) P(1) Re(1) 117.0(4) ?
C(1B) P(1) Re(1) 107.0(4) ?
C(211) P(2) C(221) 102.5(6) ?
C(211) P(2) C(1B) 103.7(5) ?
C(221) P(2) C(1B) 104.0(6) ?
C(211) P(2) Re(2) 114.1(5) ?
C(221) P(2) Re(2) 120.3(4) ?
C(1B) P(2) Re(2) 110.5(4) ?
C(311) P(3) C(2B) 105.4(6) ?
C(311) P(3) C(321) 102.0(6) ?
C(2B) P(3) C(321) 103.9(6) ?
C(311) P(3) Re(1) 114.0(5) ?
C(2B) P(3) Re(1) 108.7(4) ?
C(321) P(3) Re(1) 121.3(4) ?
C(411) P(4) C(2B) 105.1(6) ?
C(411) P(4) C(421) 102.2(6) ?
C(2B) P(4) C(421) 104.9(5) ?
C(411) P(4) Re(2) 116.5(5) ?
C(2B) P(4) Re(2) 106.9(4) ?
C(421) P(4) Re(2) 119.9(4) ?
C(12) C(11) Re(2) 137.9(8) ?
C(12) C(11) Re(1) 139.0(9) ?
Re(2) C(11) Re(1) 81.2(4) ?
C(13) C(12) C(11) 109.7(16) ?
P(1) C(1B) P(2) 108.8(6) ?
P(4) C(2B) P(3) 110.4(6) ?
C(112) C(111) C(116) 119.8(12) ?
C(112) C(111) P(1) 122.3(10) ?
C(116) C(111) P(1) 116.9(10) ?
C(111) C(112) C(113) 121.3(14) ?
C(112) C(113) C(114) 117.6(15) ?
C(115) C(114) C(113) 121.8(14) ?
C(114) C(115) C(116) 119.9(13) ?
C(115) C(116) C(111) 119.2(14) ?
C(126) C(121) C(122) 118.7(12) ?
C(126) C(121) P(1) 121.7(10) ?
C(122) C(121) P(1) 119.6(10) ?
C(123) C(122) C(121) 120.7(13) ?
C(122) C(123) C(124) 121.0(14) ?
C(125) C(124) C(123) 119.5(14) ?
C(124) C(125) C(126) 119.8(14) ?
C(121) C(126) C(125) 120.2(13) ?
C(212) C(211) C(216) 118.9(11) ?
C(212) C(211) P(2) 116.6(10) ?
C(216) C(211) P(2) 124.3(10) ?
C(211) C(212) C(213) 120.1(14) ?
C(212) C(213) C(214) 120.3(14) ?
C(215) C(214) C(213) 118.5(14) ?
C(214) C(215) C(216) 122.2(18) ?
C(215) C(216) C(211) 120.0(15) ?
C(222) C(221) C(226) 120.5(12) ?
C(222) C(221) P(2) 122.0(10) ?
C(226) C(221) P(2) 117.5(10) ?
C(221) C(222) C(223) 118.9(13) ?
C(224) C(223) C(222) 121.1(14) ?
C(223) C(224) C(225) 120.0(15) ?
C(226) C(225) C(224) 120.3(15) ?
C(225) C(226) C(221) 119.1(13) ?
C(312) C(311) C(316) 119.8(11) ?
C(312) C(311) P(3) 118.3(10) ?
C(316) C(311) P(3) 121.9(10) ?
C(311) C(312) C(313) 120.4(13) ?
C(314) C(313) C(312) 119.0(14) ?
C(313) C(314) C(315) 121.7(13) ?
C(314) C(315) C(316) 119.3(14) ?
C(311) C(316) C(315) 119.8(14) ?
C(322) C(321) C(326) 119.2(12) ?
C(322) C(321) P(3) 122.5(10) ?
C(326) C(321) P(3) 118.2(10) ?
C(321) C(322) C(323) 121.2(13) ?
C(324) C(323) C(322) 118.0(13) ?
C(323) C(324) C(325) 122.6(13) ?
C(324) C(325) C(326) 119.2(13) ?
C(325) C(326) C(321) 119.8(13) ?
C(416) C(411) C(412) 118.8(12) ?
C(416) C(411) P(4) 118.2(10) ?
C(412) C(411) P(4) 123.0(10) ?
C(411) C(412) C(413) 119.2(15) ?
C(414) C(413) C(412) 121.2(17) ?
C(413) C(414) C(415) 120.4(14) ?
C(414) C(415) C(416) 119.0(14) ?
C(411) C(416) C(415) 121.2(14) ?
C(422) C(421) C(426) 118.9(12) ?
C(422) C(421) P(4) 121.8(10) ?
C(426) C(421) P(4) 119.3(9) ?
C(421) C(422) C(423) 119.3(13) ?
C(424) C(423) C(422) 120.7(13) ?
C(425) C(424) C(423) 119.7(13) ?
C(424) C(425) C(426) 120.8(13) ?
C(425) C(426) C(421) 120.4(12) ?
Cl(91) C(901) Cl(92) 112.6(8) ?
Cl(93) C(902) Cl(94) 113.1(8) ?
Cl(95) C(903) Cl(96) 113.0(11) ?
Cl(8A) C(904) Cl(97) 118.6(14) ?
Cl(8A) C(904) Cl(8B) 31.0(8) ?
Cl(97) C(904) Cl(8B) 101.2(12) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Re(1) C(11) 1.946(11) ?
Re(1) Cl(B) 2.419(3) ?
Re(1) Cl(12) 2.432(3) ?
Re(1) Cl(11) 2.471(3) ?
Re(1) P(1) 2.473(4) ?
Re(1) P(3) 2.475(3) ?
Re(1) Re(2) 2.5277(6) ?
Re(2) C(11) 1.938(11) ?
Re(2) Cl(B) 2.412(3) ?
Re(2) Cl(22) 2.425(3) ?
Re(2) Cl(21) 2.466(3) ?
Re(2) P(2) 2.475(3) ?
Re(2) P(4) 2.490(3) ?
Cl(91) C(901) 1.751(16) ?
Cl(92) C(901) 1.753(16) ?
Cl(93) C(902) 1.744(17) ?
Cl(94) C(902) 1.756(17) ?
Cl(95) C(903) 1.71(2) ?
Cl(96) C(903) 1.76(2) ?
Cl(97) C(904) 1.68(2) ?
Cl(8A) C(904) 1.64(3) ?
Cl(8B) C(904) 1.94(3) ?
P(1) C(121) 1.817(12) ?
P(1) C(111) 1.842(12) ?
P(1) C(1B) 1.843(10) ?
P(2) C(211) 1.816(11) ?
P(2) C(221) 1.842(13) ?
P(2) C(1B) 1.850(12) ?
P(3) C(311) 1.829(11) ?
P(3) C(2B) 1.833(11) ?
P(3) C(321) 1.836(12) ?
P(4) C(411) 1.811(12) ?
P(4) C(2B) 1.825(12) ?
P(4) C(421) 1.825(12) ?
C(11) C(12) 1.544(19) ?
C(12) C(13) 1.49(2) ?
C(111) C(112) 1.368(19) ?
C(111) C(116) 1.394(17) ?
C(112) C(113) 1.382(19) ?
C(113) C(114) 1.39(2) ?
C(114) C(115) 1.36(2) ?
C(115) C(116) 1.384(18) ?
C(121) C(126) 1.381(17) ?
C(121) C(122) 1.400(18) ?
C(122) C(123) 1.36(2) ?
C(123) C(124) 1.39(2) ?
C(124) C(125) 1.37(2) ?
C(125) C(126) 1.420(19) ?
C(211) C(212) 1.383(16) ?
C(211) C(216) 1.385(19) ?
C(212) C(213) 1.392(17) ?
C(213) C(214) 1.39(2) ?
C(214) C(215) 1.35(2) ?
C(215) C(216) 1.37(2) ?
C(221) C(222) 1.368(17) ?
C(221) C(226) 1.415(17) ?
C(222) C(223) 1.387(19) ?
C(223) C(224) 1.37(2) ?
C(224) C(225) 1.38(2) ?
C(225) C(226) 1.37(2) ?
C(311) C(312) 1.373(17) ?
C(311) C(316) 1.387(18) ?
C(312) C(313) 1.398(17) ?
C(313) C(314) 1.36(2) ?
C(314) C(315) 1.37(2) ?
C(315) C(316) 1.396(18) ?
C(321) C(322) 1.386(16) ?
C(321) C(326) 1.391(17) ?
C(322) C(323) 1.393(18) ?
C(323) C(324) 1.362(19) ?
C(324) C(325) 1.376(19) ?
C(325) C(326) 1.388(18) ?
C(411) C(416) 1.392(18) ?
C(411) C(412) 1.400(19) ?
C(412) C(413) 1.41(2) ?
C(413) C(414) 1.35(2) ?
C(414) C(415) 1.40(2) ?
C(415) C(416) 1.399(18) ?
C(421) C(422) 1.383(17) ?
C(421) C(426) 1.401(18) ?
C(422) C(423) 1.385(18) ?
C(423) C(424) 1.385(19) ?
C(424) C(425) 1.353(19) ?
C(425) C(426) 1.367(18) ?
