#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:06:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179313 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/10/4321005.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_4321005
loop_
_publ_author_name
'Yan Ding'
'Shan-Ming Kuang'
'Michael J. Siwajek'
'Phillip E. Fanwick'
'Richard A. Walton'
_publ_contact_author_address
;    Department of Chemistry
     Purdue University
     W. Lafayette
     IN 47907
     USA
;
_publ_contact_author_email       fanwick@.xray.chem.purdue.edu
_publ_contact_author_fax         1(765)4940239
_publ_contact_author_name        'Richard A. Walton'
_publ_contact_author_phone       1(765)4945464
_publ_section_title
;
 Reactions of the Dirhenium(II) Complexes Re2X4(μ-dppm)2 (X = Cl, Br;
 dppm = Ph2PCH2PPh2) with Isocyanides. 21.1A Comparison with the Complexes
 Re2Cl4(μ-dppE)2 and Re2Cl4(μ-dcpm)2 (dppE = Ph2PC(CH2)PPh2; dcpm =
 Cy2PCH2PCy2) and the Structural Characterization of Complexes of the
 Types Re2Cl4(μ-LL)2(CNR), Re2Cl4(μ-LL)2(CNR)2, and
 [Re2Cl3(μ-LL)2(CNR)3]+ (LL = dppm, dppE, dcpm; R =t-Bu, Xyl)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2676
_journal_page_last               2683
_journal_paper_doi               10.1021/ic000064a
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C62 H102 Cl4 N O P4 Re2'
_chemical_formula_weight         1515.62
_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)'
_audit_creation_date             4-29-99
_audit_creation_method           from_MolEN_and_SHELXL_and_WinGX
_audit_update_record             ' ?'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.0421(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.2164(5)
_cell_length_b                   12.4916(3)
_cell_length_c                   25.3930(5)
_cell_measurement_reflns_used    61215
_cell_measurement_temperature    293
_cell_measurement_theta_max      30
_cell_measurement_theta_min      4
_cell_volume                     7077.5(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-3_for_Windows_(Farrugia,_1997)
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
_computing_structure_refinement  SHELX97_(Sheldrick,_1997)
_computing_structure_solution    PATTY_(DIRDIF92,_Beurskins,_1992)
_diffrn_ambient_temperature      293
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.074
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            61215
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         4.00
_exptl_absorpt_coefficient_mu    3.741
_exptl_absorpt_correction_T_max  0.6879
_exptl_absorpt_correction_T_min  0.3581
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996)
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.42
_exptl_crystal_description       plate
_exptl_crystal_F_000             3068
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.14
_refine_diff_density_min         -2.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    H_atoms_riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     670
_refine_ls_number_reflns         21124
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.052
_refine_ls_shift/su_max          0.039
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0602P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.117
_reflns_number_gt                12349
_reflns_number_total             21124
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            ic000064a_4.cif
_cod_data_source_block           MJS764
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        7077.5(5)
_cod_database_code               4321005
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) 0.226951(9) 0.080591(17) 0.351160(9) 0.03432(7) Uani ?
Re(2) 0.237077(9) 0.132491(17) 0.439699(9) 0.03403(7) Uani ?
Cl(11) 0.14637(7) -0.05009(12) 0.32482(7) 0.0512(5) Uani ?
Cl(12) 0.23919(7) 0.04568(12) 0.25322(6) 0.0489(5) Uani ?
Cl(21) 0.21697(7) -0.00532(13) 0.49600(7) 0.0536(5) Uani ?
Cl(22) 0.25939(7) 0.31827(11) 0.44862(7) 0.0485(5) Uani ?
P(1) 0.30062(7) -0.06615(11) 0.38501(6) 0.0391(4) Uani ?
P(2) 0.34497(6) 0.09507(12) 0.47875(6) 0.0376(4) Uani ?
P(3) 0.14992(6) 0.21933(12) 0.30796(6) 0.0389(4) Uani ?
P(4) 0.13280(6) 0.18943(12) 0.42138(6) 0.0392(4) Uani ?
O(901) 0.4075(7) 0.1179(10) 0.1609(4) 0.199(6) Uani ?
N(10) 0.3284(2) 0.2407(4) 0.3429(2) 0.0457(16) Uani ?
C(10) 0.2912(2) 0.1793(4) 0.3484(2) 0.0379(16) Uani ?
C(11) 0.3766(2) 0.2973(5) 0.3319(2) 0.0450(18) Uani ?
C(12) 0.4133(3) 0.2385(6) 0.3057(3) 0.053(2) Uani ?
C(13) 0.4596(3) 0.2962(7) 0.2932(3) 0.076(3) Uani ?
C(14) 0.4702(4) 0.4009(8) 0.3065(4) 0.086(4) Uani ?
C(15) 0.4341(3) 0.4532(6) 0.3326(3) 0.074(3) Uani ?
C(16) 0.3861(3) 0.4035(5) 0.3456(3) 0.050(2) Uani ?
C(17) 0.4028(3) 0.1239(6) 0.2930(3) 0.067(3) Uani ?
C(18) 0.3475(3) 0.4623(5) 0.3735(3) 0.069(3) Uani ?
C(1B) 0.3654(2) 0.0020(4) 0.4307(2) 0.0402(17) Uani ?
C(2B) 0.1232(3) 0.2809(4) 0.3633(2) 0.0429(17) Uani ?
C(111) 0.3333(3) -0.1224(5) 0.3324(3) 0.049(2) Uani ?
C(112) 0.3976(3) -0.1673(7) 0.3506(3) 0.072(3) Uani ?
C(113) 0.4200(4) -0.1872(7) 0.2995(4) 0.090(4) Uani ?
C(114) 0.3773(5) -0.2600(7) 0.2582(4) 0.105(5) Uani ?
C(115) 0.3126(4) -0.2187(7) 0.2424(4) 0.091(4) Uani ?
C(116) 0.2913(3) -0.2018(5) 0.2939(3) 0.062(2) Uani ?
C(121) 0.2847(3) -0.1768(5) 0.4277(3) 0.049(2) Uani ?
C(122) 0.2309(4) -0.2438(7) 0.4028(4) 0.097(4) Uani ?
C(123) 0.2137(4) -0.3164(7) 0.4446(4) 0.094(4) Uani ?
C(124) 0.2661(4) -0.3867(6) 0.4735(4) 0.086(3) Uani ?
C(125) 0.3204(4) -0.3225(7) 0.4973(4) 0.107(4) Uani ?
C(126) 0.3373(3) -0.2496(6) 0.4536(4) 0.082(3) Uani ?
C(211) 0.3653(2) 0.0217(5) 0.5448(2) 0.0426(17) Uani ?
C(212) 0.3454(3) 0.0762(6) 0.5904(3) 0.056(2) Uani ?
C(213) 0.3548(3) 0.0001(7) 0.6405(3) 0.074(3) Uani ?
C(214) 0.4207(4) -0.0368(7) 0.6603(3) 0.082(3) Uani ?
C(215) 0.4386(3) -0.0923(6) 0.6132(3) 0.068(3) Uani ?
C(216) 0.4308(3) -0.0171(6) 0.5649(3) 0.053(2) Uani ?
C(221) 0.3968(2) 0.2095(5) 0.4836(2) 0.0434(19) Uani ?
C(222) 0.4046(3) 0.2774(5) 0.5352(3) 0.0508(19) Uani ?
C(223) 0.4396(3) 0.3799(5) 0.5321(3) 0.063(2) Uani ?
C(224) 0.5008(3) 0.3545(5) 0.5252(3) 0.063(2) Uani ?
C(225) 0.4959(3) 0.2861(6) 0.4751(3) 0.063(2) Uani ?
C(226) 0.4602(2) 0.1843(5) 0.4761(3) 0.050(2) Uani ?
C(311) 0.1806(3) 0.3392(5) 0.2814(3) 0.0509(19) Uani ?
C(312) 0.1963(3) 0.3141(6) 0.2270(3) 0.061(2) Uani ?
C(313) 0.2349(4) 0.4069(7) 0.2149(4) 0.086(4) Uani ?
C(314) 0.2051(4) 0.5120(6) 0.2115(4) 0.086(4) Uani ?
C(315) 0.1856(4) 0.5370(6) 0.2637(4) 0.082(3) Uani ?
C(316) 0.1478(4) 0.4436(6) 0.2776(3) 0.069(3) Uani ?
C(321) 0.0792(3) 0.1730(5) 0.2583(2) 0.0444(17) Uani ?
C(322) 0.0867(3) 0.1064(6) 0.2106(3) 0.059(2) Uani ?
C(323) 0.0268(3) 0.0556(7) 0.1807(3) 0.075(3) Uani ?
C(324) -0.0222(4) 0.1336(7) 0.1610(4) 0.089(3) Uani ?
C(325) -0.0291(3) 0.2080(7) 0.2085(3) 0.079(3) Uani ?
C(326) 0.0306(3) 0.2597(6) 0.2370(3) 0.061(2) Uani ?
C(411) 0.1155(3) 0.2721(6) 0.4758(3) 0.057(2) Uani ?
C(412) 0.1034(6) 0.3844(8) 0.4657(4) 0.123(5) Uani ?
C(413) 0.0852(6) 0.4425(8) 0.5114(4) 0.113(5) Uani ?
C(414) 0.1259(7) 0.4159(9) 0.5678(4) 0.144(7) Uani ?
C(415) 0.1351(5) 0.3078(9) 0.5769(4) 0.109(4) Uani ?
C(416) 0.1523(4) 0.2419(7) 0.5317(3) 0.074(3) Uani ?
C(421) 0.0706(3) 0.0931(5) 0.4010(3) 0.048(2) Uani ?
C(422) 0.0099(3) 0.1431(6) 0.3738(3) 0.067(3) Uani ?
C(423) -0.0372(3) 0.0529(7) 0.3535(3) 0.081(3) Uani ?
C(424) -0.0410(4) -0.0247(7) 0.3985(4) 0.086(3) Uani ?
C(425) 0.0183(4) -0.0708(7) 0.4261(4) 0.092(4) Uani ?
C(426) 0.0649(3) 0.0168(7) 0.4476(3) 0.078(3) Uani ?
C(901) 0.3165(6) 0.1732(11) 0.1524(5) 0.148(7) Uani ?
C(902) 0.3557(9) 0.053(4) 0.1427(7) 0.38(3) Uani ?
C(903) 0.3269(14) -0.0091(19) 0.1249(11) 0.31(2) Uani ?
H(13) 0.4839 0.2614 0.2750 0.0990 Uiso calc
H(14) 0.5016 0.4368 0.2979 0.1120 Uiso calc
H(15) 0.4419 0.5247 0.3421 0.0960 Uiso calc
H(111) 0.3359 -0.0613 0.3089 0.0640 Uiso calc
H(11A) 0.3981 -0.2338 0.3704 0.0930 Uiso calc
H(11B) 0.4239 -0.1168 0.3748 0.0930 Uiso calc
H(11C) 0.4236 -0.1193 0.2822 0.1170 Uiso calc
H(11D) 0.4594 -0.2199 0.3107 0.1170 Uiso calc
H(11E) 0.3783 -0.3311 0.2738 0.1370 Uiso calc
H(11F) 0.3909 -0.2656 0.2255 0.1370 Uiso calc
H(11G) 0.2867 -0.2700 0.2184 0.1190 Uiso calc
H(11H) 0.3103 -0.1516 0.2228 0.1190 Uiso calc
H(11I) 0.2913 -0.2696 0.3126 0.0810 Uiso calc
H(11J) 0.2507 -0.1740 0.2837 0.0810 Uiso calc
H(121) 0.2755 -0.1411 0.4588 0.0630 Uiso calc
H(12A) 0.2388 -0.2877 0.3741 0.1260 Uiso calc
H(12B) 0.1974 -0.1973 0.3861 0.1260 Uiso calc
H(12C) 0.2017 -0.2728 0.4714 0.1220 Uiso calc
H(12D) 0.1799 -0.3609 0.4261 0.1220 Uiso calc
H(12E) 0.2558 -0.4268 0.5023 0.1110 Uiso calc
H(12F) 0.2742 -0.4376 0.4476 0.1110 Uiso calc
H(12G) 0.3536 -0.3702 0.5134 0.1390 Uiso calc
H(12H) 0.3138 -0.2779 0.5264 0.1390 Uiso calc
H(12I) 0.3723 -0.2070 0.4709 0.1070 Uiso calc
H(12J) 0.3467 -0.2937 0.4256 0.1070 Uiso calc
H(17A) 0.4267 0.1013 0.2696 0.0870 Uiso calc
H(17B) 0.3612 0.1126 0.2748 0.0870 Uiso calc
H(17C) 0.4137 0.0833 0.3264 0.0870 Uiso calc
H(18A) 0.3062 0.4451 0.3565 0.0890 Uiso calc
H(18B) 0.3534 0.5379 0.3707 0.0890 Uiso calc
H(18C) 0.3578 0.4420 0.4114 0.0890 Uiso calc
H(1B1) 0.3863 0.0413 0.4087 0.0520 Uiso calc
H(1B2) 0.3927 -0.0514 0.4515 0.0520 Uiso calc
H(211) 0.3415 -0.0442 0.5373 0.0560 Uiso calc
H(21A) 0.3034 0.0957 0.5772 0.0730 Uiso calc
H(21B) 0.3684 0.1413 0.6014 0.0730 Uiso calc
H(21C) 0.3440 0.0370 0.6701 0.0970 Uiso calc
H(21D) 0.3289 -0.0618 0.6304 0.0970 Uiso calc
H(21E) 0.4464 0.0246 0.6728 0.1060 Uiso calc
H(21F) 0.4257 -0.0860 0.6907 0.1060 Uiso calc
H(21G) 0.4801 -0.1150 0.6258 0.0890 Uiso calc
H(21H) 0.4140 -0.1554 0.6018 0.0890 Uiso calc
H(21I) 0.4417 -0.0537 0.5354 0.0680 Uiso calc
H(21J) 0.4572 0.0441 0.5757 0.0680 Uiso calc
H(221) 0.3775 0.2567 0.4530 0.0560 Uiso calc
H(22A) 0.3655 0.2959 0.5394 0.0660 Uiso calc
H(22B) 0.4257 0.2362 0.5671 0.0660 Uiso calc
H(22C) 0.4173 0.4229 0.5015 0.0820 Uiso calc
H(22D) 0.4442 0.4212 0.5654 0.0820 Uiso calc
H(22E) 0.5214 0.4207 0.5218 0.0820 Uiso calc
H(22F) 0.5244 0.3171 0.5575 0.0820 Uiso calc
H(22G) 0.5358 0.2672 0.4731 0.0820 Uiso calc
H(22H) 0.4766 0.3270 0.4425 0.0820 Uiso calc
H(22I) 0.4821 0.1390 0.5060 0.0650 Uiso calc
H(22J) 0.4555 0.1453 0.4422 0.0650 Uiso calc
H(2B1) 0.1455 0.3462 0.3755 0.0560 Uiso calc
H(2B2) 0.0812 0.2994 0.3492 0.0560 Uiso calc
H(311) 0.2194 0.3523 0.3081 0.0660 Uiso calc
H(31A) 0.2183 0.2473 0.2304 0.0790 Uiso calc
H(31B) 0.1598 0.3070 0.1973 0.0790 Uiso calc
H(31C) 0.2724 0.4095 0.2436 0.1120 Uiso calc
H(31D) 0.2440 0.3928 0.1806 0.1120 Uiso calc
H(31E) 0.1701 0.5128 0.1800 0.1120 Uiso calc
H(31F) 0.2323 0.5673 0.2063 0.1120 Uiso calc
H(31G) 0.1621 0.6023 0.2582 0.1060 Uiso calc
H(31H) 0.2209 0.5484 0.2942 0.1060 Uiso calc
H(31I) 0.1393 0.4583 0.3123 0.0890 Uiso calc
H(31J) 0.1099 0.4387 0.2495 0.0890 Uiso calc
H(321) 0.0614 0.1238 0.2794 0.0580 Uiso calc
H(32A) 0.1164 0.0509 0.2241 0.0760 Uiso calc
H(32B) 0.1007 0.1514 0.1856 0.0760 Uiso calc
H(32C) 0.0319 0.0153 0.1496 0.0980 Uiso calc
H(32D) 0.0154 0.0054 0.2052 0.0980 Uiso calc
H(32E) -0.0595 0.0955 0.1456 0.1160 Uiso calc
H(32F) -0.0141 0.1770 0.1322 0.1160 Uiso calc
H(32G) -0.0586 0.2632 0.1938 0.1030 Uiso calc
H(32H) -0.0431 0.1663 0.2348 0.1030 Uiso calc
H(32I) 0.0264 0.3027 0.2675 0.0800 Uiso calc
H(32J) 0.0428 0.3064 0.2116 0.0800 Uiso calc
H(411) 0.0760 0.2448 0.4758 0.0750 Uiso calc
H(412) 0.1064 0.4185 0.4340 0.1600 Uiso calc
H(414) 0.1429 0.4677 0.5937 0.1870 Uiso calc
H(415) 0.1311 0.2756 0.6087 0.1410 Uiso calc
H(41A) 0.0862 0.5191 0.5055 0.1480 Uiso calc
H(41B) 0.0443 0.4230 0.5100 0.1480 Uiso calc
H(41C) 0.1943 0.2535 0.5344 0.0960 Uiso calc
H(41D) 0.1468 0.1664 0.5377 0.0960 Uiso calc
H(421) 0.0799 0.0472 0.3731 0.0630 Uiso calc
H(42A) 0.0127 0.1870 0.3431 0.0870 Uiso calc
H(42B) -0.0022 0.1885 0.3998 0.0870 Uiso calc
H(42C) -0.0762 0.0852 0.3383 0.1050 Uiso calc
H(42D) -0.0271 0.0133 0.3244 0.1050 Uiso calc
H(42E) -0.0565 0.0124 0.4252 0.1120 Uiso calc
H(42F) -0.0686 -0.0820 0.3828 0.1120 Uiso calc
H(42G) 0.0314 -0.1158 0.4005 0.1200 Uiso calc
H(42H) 0.0150 -0.1153 0.4564 0.1200 Uiso calc
H(42I) 0.1035 -0.0161 0.4643 0.1010 Uiso calc
H(42J) 0.0536 0.0578 0.4755 0.1010 Uiso calc
H(903) 0.3010 -0.0643 0.1090 0.3960 Uiso calc
H(90A) 0.2912 0.1967 0.1178 0.1930 Uiso calc
H(90B) 0.3451 0.2281 0.1678 0.1930 Uiso calc
H(90C) 0.2925 0.1586 0.1769 0.1930 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(10) Re(1) Re(2) 89.14(15) ?
C(10) Re(1) Cl(11) 162.00(16) ?
Re(2) Re(1) Cl(11) 108.82(4) ?
C(10) Re(1) P(1) 91.05(16) ?
Re(2) Re(1) P(1) 89.72(4) ?
Cl(11) Re(1) P(1) 90.21(5) ?
C(10) Re(1) P(3) 90.44(16) ?
Re(2) Re(1) P(3) 95.79(4) ?
Cl(11) Re(1) P(3) 86.69(5) ?
P(1) Re(1) P(3) 174.31(5) ?
C(10) Re(1) Cl(12) 77.62(16) ?
Re(2) Re(1) Cl(12) 166.47(4) ?
Cl(11) Re(1) Cl(12) 84.49(5) ?
P(1) Re(1) Cl(12) 87.76(5) ?
P(3) Re(1) Cl(12) 87.20(5) ?
Re(1) Re(2) Cl(21) 113.81(4) ?
Re(1) Re(2) Cl(22) 109.33(4) ?
Cl(21) Re(2) Cl(22) 136.71(6) ?
Re(1) Re(2) P(4) 93.90(4) ?
Cl(21) Re(2) P(4) 88.64(5) ?
Cl(22) Re(2) P(4) 84.96(5) ?
Re(1) Re(2) P(2) 99.10(4) ?
Cl(21) Re(2) P(2) 88.12(5) ?
Cl(22) Re(2) P(2) 88.64(5) ?
P(4) Re(2) P(2) 166.81(5) ?
C(1B) P(1) C(111) 101.8(3) ?
C(1B) P(1) C(121) 103.7(3) ?
C(111) P(1) C(121) 109.1(3) ?
C(1B) P(1) Re(1) 103.96(18) ?
C(111) P(1) Re(1) 114.2(2) ?
C(121) P(1) Re(1) 121.4(2) ?
C(1B) P(2) C(221) 104.5(3) ?
C(1B) P(2) C(211) 103.8(3) ?
C(221) P(2) C(211) 108.9(3) ?
C(1B) P(2) Re(2) 105.77(18) ?
C(221) P(2) Re(2) 116.70(19) ?
C(211) P(2) Re(2) 115.63(18) ?
C(2B) P(3) C(311) 100.5(3) ?
C(2B) P(3) C(321) 103.1(3) ?
C(311) P(3) C(321) 110.9(3) ?
C(2B) P(3) Re(1) 107.56(19) ?
C(311) P(3) Re(1) 114.5(2) ?
C(321) P(3) Re(1) 117.9(2) ?
C(2B) P(4) C(421) 105.7(3) ?
C(2B) P(4) C(411) 104.5(3) ?
C(421) P(4) C(411) 105.0(3) ?
C(2B) P(4) Re(2) 103.20(19) ?
C(421) P(4) Re(2) 121.5(2) ?
C(411) P(4) Re(2) 115.3(2) ?
C(10) N(10) C(11) 169.2(6) ?
N(10) C(10) Re(1) 175.5(5) ?
C(16) C(11) N(10) 120.9(6) ?
C(16) C(11) C(12) 122.8(5) ?
N(10) C(11) C(12) 116.3(6) ?
C(13) C(12) C(11) 115.9(7) ?
C(13) C(12) C(17) 122.8(7) ?
C(11) C(12) C(17) 121.3(6) ?
C(14) C(13) C(12) 122.5(8) ?
C(13) C(14) C(15) 119.1(7) ?
C(14) C(15) C(16) 122.6(7) ?
C(11) C(16) C(15) 117.1(7) ?
C(11) C(16) C(18) 121.5(6) ?
C(15) C(16) C(18) 121.4(6) ?
P(1) C(1B) P(2) 113.4(3) ?
P(4) C(2B) P(3) 111.2(3) ?
C(116) C(111) C(112) 110.3(5) ?
C(116) C(111) P(1) 112.9(5) ?
C(112) C(111) P(1) 118.7(5) ?
C(111) C(112) C(113) 109.3(6) ?
C(114) C(113) C(112) 111.5(7) ?
C(113) C(114) C(115) 112.5(7) ?
C(114) C(115) C(116) 110.3(7) ?
C(115) C(116) C(111) 109.4(6) ?
C(122) C(121) C(126) 109.1(6) ?
C(122) C(121) P(1) 116.6(5) ?
C(126) C(121) P(1) 115.6(5) ?
C(121) C(122) C(123) 112.7(7) ?
C(124) C(123) C(122) 110.5(8) ?
C(125) C(124) C(123) 111.3(7) ?
C(124) C(125) C(126) 112.2(8) ?
C(121) C(126) C(125) 109.0(6) ?
C(212) C(211) C(216) 111.5(5) ?
C(212) C(211) P(2) 114.4(4) ?
C(216) C(211) P(2) 115.9(4) ?
C(211) C(212) C(213) 110.2(6) ?
C(214) C(213) C(212) 110.5(6) ?
C(215) C(214) C(213) 109.9(6) ?
C(216) C(215) C(214) 110.6(6) ?
C(215) C(216) C(211) 110.5(5) ?
C(222) C(221) C(226) 108.9(5) ?
C(222) C(221) P(2) 113.9(4) ?
C(226) C(221) P(2) 116.9(4) ?
C(223) C(222) C(221) 111.0(5) ?
C(224) C(223) C(222) 111.2(6) ?
C(225) C(224) C(223) 111.1(6) ?
C(224) C(225) C(226) 111.8(6) ?
C(225) C(226) C(221) 111.6(5) ?
C(316) C(311) C(312) 111.0(6) ?
C(316) C(311) P(3) 119.0(5) ?
C(312) C(311) P(3) 111.5(4) ?
C(313) C(312) C(311) 108.4(6) ?
C(314) C(313) C(312) 113.0(6) ?
C(313) C(314) C(315) 111.8(7) ?
C(314) C(315) C(316) 111.1(7) ?
C(311) C(316) C(315) 111.0(6) ?
C(322) C(321) C(326) 109.8(5) ?
C(322) C(321) P(3) 115.8(4) ?
C(326) C(321) P(3) 116.1(4) ?
C(321) C(322) C(323) 109.6(6) ?
C(324) C(323) C(322) 113.9(7) ?
C(323) C(324) C(325) 111.3(7) ?
C(326) C(325) C(324) 110.1(6) ?
C(325) C(326) C(321) 110.5(6) ?
C(412) C(411) C(416) 116.7(7) ?
C(412) C(411) P(4) 118.7(6) ?
C(416) C(411) P(4) 112.6(5) ?
C(411) C(412) C(413) 114.1(8) ?
C(414) C(413) C(412) 112.5(9) ?
C(415) C(414) C(413) 113.6(10) ?
C(414) C(415) C(416) 117.1(8) ?
C(411) C(416) C(415) 112.0(7) ?
C(422) C(421) C(426) 109.6(5) ?
C(422) C(421) P(4) 114.5(5) ?
C(426) C(421) P(4) 114.4(5) ?
C(421) C(422) C(423) 109.3(6) ?
C(424) C(423) C(422) 113.2(7) ?
C(425) C(424) C(423) 111.4(7) ?
C(424) C(425) C(426) 111.4(7) ?
C(425) C(426) C(421) 111.6(7) ?
C(903) C(902) O(901) 162(5) ?
C(903) C(902) C(901) 113(3) ?
O(901) C(902) C(901) 84(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Re(1) C(10) 1.952(6) ?
Re(1) Re(2) 2.2887(3) ?
Re(1) Cl(11) 2.4331(14) ?
Re(1) P(1) 2.4923(14) ?
Re(1) P(3) 2.5142(14) ?
Re(1) Cl(12) 2.6165(15) ?
Re(2) Cl(21) 2.3652(15) ?
Re(2) Cl(22) 2.3750(14) ?
Re(2) P(4) 2.4414(14) ?
Re(2) P(2) 2.4704(14) ?
P(1) C(1B) 1.835(6) ?
P(1) C(111) 1.848(6) ?
P(1) C(121) 1.857(6) ?
P(2) C(1B) 1.839(5) ?
P(2) C(221) 1.851(6) ?
P(2) C(211) 1.854(6) ?
P(3) C(2B) 1.852(6) ?
P(3) C(311) 1.863(6) ?
P(3) C(321) 1.864(6) ?
P(4) C(2B) 1.830(6) ?
P(4) C(421) 1.841(6) ?
P(4) C(411) 1.856(6) ?
N(10) C(10) 1.190(7) ?
N(10) C(11) 1.416(7) ?
C(11) C(16) 1.374(9) ?
C(11) C(12) 1.422(9) ?
C(12) C(13) 1.402(9) ?
C(12) C(17) 1.472(9) ?
C(13) C(14) 1.357(12) ?
C(14) C(15) 1.371(11) ?
C(15) C(16) 1.391(9) ?
C(16) C(18) 1.484(9) ?
C(111) C(116) 1.538(9) ?
C(111) C(112) 1.541(9) ?
C(112) C(113) 1.545(10) ?
C(113) C(114) 1.527(13) ?
C(114) C(115) 1.532(13) ?
C(115) C(116) 1.535(10) ?
C(121) C(122) 1.491(9) ?
C(121) C(126) 1.518(9) ?
C(122) C(123) 1.531(10) ?
C(123) C(124) 1.516(12) ?
C(124) C(125) 1.475(12) ?
C(125) C(126) 1.568(11) ?
C(211) C(212) 1.521(8) ?
C(211) C(216) 1.543(8) ?
C(212) C(213) 1.555(9) ?
C(213) C(214) 1.543(10) ?
C(214) C(215) 1.535(11) ?
C(215) C(216) 1.515(9) ?
C(221) C(222) 1.531(8) ?
C(221) C(226) 1.565(8) ?
C(222) C(223) 1.530(9) ?
C(223) C(224) 1.513(10) ?
C(224) C(225) 1.512(10) ?
C(225) C(226) 1.523(9) ?
C(311) C(316) 1.499(9) ?
C(311) C(312) 1.554(9) ?
C(312) C(313) 1.547(9) ?
C(313) C(314) 1.475(11) ?
C(314) C(315) 1.546(12) ?
C(315) C(316) 1.559(10) ?
C(321) C(322) 1.518(9) ?
C(321) C(326) 1.549(8) ?
C(322) C(323) 1.527(9) ?
C(323) C(324) 1.478(11) ?
C(324) C(325) 1.568(11) ?
C(325) C(326) 1.519(9) ?
C(411) C(412) 1.440(11) ?
C(411) C(416) 1.489(9) ?
C(412) C(413) 1.526(11) ?
C(413) C(414) 1.518(14) ?
C(414) C(415) 1.376(14) ?
C(415) C(416) 1.551(10) ?
C(421) C(422) 1.521(9) ?
C(421) C(426) 1.552(9) ?
C(422) C(423) 1.556(10) ?
C(423) C(424) 1.519(11) ?
C(424) C(425) 1.479(12) ?
C(425) C(426) 1.529(11) ?
O(901) C(902) 1.42(3) ?
C(901) C(902) 1.81(5) ?
C(902) C(903) 1.04(4) ?
