#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:14:32 +0100 (vie 25 de mar de 2016) $
#$Revision: 179805 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/01/7010104.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_7010104
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            'C55 H54 Cl7 O2 P4 Re'
_chemical_formula_weight         1305.31
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
'International Tables for Crystallography (Vol C) '
_cell_angle_alpha                97.9692(19)
_cell_angle_beta                 91.753(2)
_cell_angle_gamma                110.195(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4968(3)
_cell_length_b                   12.9135(5)
_cell_length_c                   24.8886(10)
_cell_measurement_reflns_used    19987
_cell_measurement_temperature    173
_cell_measurement_theta_max      27
_cell_measurement_theta_min      4
_cell_volume                     2826.83(19)
_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_(Shelxs97,_Sheldrick,_1997)
_diffrn_ambient_temperature      173
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.066
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            19987
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         4.00
_exptl_absorpt_coefficient_mu    2.662
_exptl_absorpt_correction_T_max  0.8467
_exptl_absorpt_correction_T_min  0.6945
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.53
_exptl_crystal_description       plate
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.41
_refine_diff_density_min         -1.48
_refine_ls_d_res_high            0.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    H_atoms_riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         9285
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.061
_refine_ls_shift/su_max          0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0191P)²+21.7174P] where P=(Fo²+2Fc²)/'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.123
_reflns_number_gt                9756
_reflns_number_total             11859
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            b005975g.txt
_cod_data_source_block           J4602X
_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        2826.8(4)
_cod_original_sg_symbol_H-M      'p -1'
_cod_database_code               7010104
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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) 0.5000 0.5000 0.0000 0.02220(14) Uani ?
Re(2) 0.5000 0.5000 0.5000 0.03473(18) Uani ?
Cl(1) 0.7988(3) 0.5952(2) 0.25748(9) 0.0466(8) Uani ?
Cl(91) 0.8724(5) 0.9195(3) 0.3425(2) 0.127(2) Uani ?
Cl(92) 0.5894(6) 0.8825(5) 0.2824(2) 0.145(3) Uani ?
Cl(93) 1.2352(7) 0.9648(4) 0.2624(2) 0.155(3) Uani ?
Cl(94) 1.0310(6) 0.8440(3) 0.17060(18) 0.139(2) Uani ?
Cl(95) 0.1252(6) 0.7047(3) 0.8210(2) 0.122(2) Uani ?
Cl(96) 0.3715(9) 0.8119(6) 0.7619(2) 0.193(4) Uani ?
P(1) 0.5604(2) 0.62468(16) 0.08896(8) 0.0260(6) Uani ?
P(2) 0.5582(2) 0.37706(16) 0.05898(8) 0.0251(6) Uani ?
P(3) 0.5256(3) 0.6540(2) 0.44747(10) 0.0409(8) Uani ?
P(4) 0.5829(3) 0.4282(2) 0.41435(10) 0.0438(9) Uani ?
O(1) 0.6975(6) 0.5511(4) -0.0055(2) 0.0281(17) Uani ?
O(2) 0.7095(8) 0.5732(5) 0.5201(2) 0.059(2) Uani ?
C(11) 0.7124(8) 0.5920(6) 0.1202(3) 0.029(3) Uani ?
C(21) 0.6649(10) 0.4659(6) 0.1225(3) 0.033(3) Uani ?
C(31) 0.6423(12) 0.6401(9) 0.3906(4) 0.052(4) Uani ?
C(41) 0.7145(11) 0.5542(9) 0.3935(4) 0.055(4) Uani ?
C(111) 0.4103(9) 0.6028(6) 0.1347(3) 0.031(3) Uani ?
C(112) 0.2706(9) 0.5964(7) 0.1143(4) 0.039(3) Uani ?
C(113) 0.1528(10) 0.5823(8) 0.1486(4) 0.049(3) Uani ?
C(114) 0.1746(11) 0.5731(8) 0.2023(4) 0.050(4) Uani ?
C(115) 0.3163(11) 0.5799(8) 0.2222(4) 0.048(3) Uani ?
C(116) 0.4344(10) 0.5946(7) 0.1890(4) 0.040(3) Uani ?
C(121) 0.6388(9) 0.7749(6) 0.0905(3) 0.030(3) Uani ?
C(122) 0.7434(9) 0.8166(7) 0.0540(4) 0.037(3) Uani ?
C(123) 0.7987(10) 0.9310(7) 0.0520(4) 0.045(3) Uani ?
C(124) 0.7521(11) 1.0028(7) 0.0861(5) 0.052(4) Uani ?
C(125) 0.6523(12) 0.9638(7) 0.1234(4) 0.051(4) Uani ?
C(126) 0.5931(11) 0.8481(7) 0.1260(4) 0.043(3) Uani ?
C(211) 0.4059(9) 0.2715(6) 0.0842(3) 0.029(2) Uani ?
C(212) 0.2673(10) 0.2803(8) 0.0864(4) 0.043(3) Uani ?
C(213) 0.1516(11) 0.2032(8) 0.1082(4) 0.053(4) Uani ?
C(214) 0.1760(12) 0.1166(8) 0.1288(4) 0.054(4) Uani ?
C(215) 0.3148(12) 0.1075(8) 0.1277(4) 0.052(4) Uani ?
C(216) 0.4301(11) 0.1823(7) 0.1060(4) 0.043(3) Uani ?
C(221) 0.6817(9) 0.3081(7) 0.0286(3) 0.029(2) Uani ?
C(222) 0.6222(10) 0.2005(7) -0.0007(3) 0.037(3) Uani ?
C(223) 0.7176(11) 0.1518(8) -0.0264(4) 0.047(3) Uani ?
C(224) 0.8701(11) 0.2100(8) -0.0240(4) 0.048(4) Uani ?
C(225) 0.9295(10) 0.3180(8) 0.0048(4) 0.045(3) Uani ?
C(226) 0.8357(9) 0.3665(7) 0.0310(4) 0.036(3) Uani ?
C(311) 0.3622(11) 0.6637(8) 0.4131(4) 0.050(4) Uani ?
C(312) 0.2310(13) 0.5730(10) 0.3983(5) 0.070(5) Uani ?
C(313) 0.1115(15) 0.5790(13) 0.3677(5) 0.080(5) Uani ?
C(314) 0.1189(18) 0.6712(15) 0.3499(6) 0.095(7) Uani ?
C(315) 0.2517(18) 0.7640(15) 0.3597(6) 0.098(7) Uani ?
C(316) 0.3707(16) 0.7595(12) 0.3910(5) 0.089(6) Uani ?
C(321) 0.6226(13) 0.7898(8) 0.4866(4) 0.052(4) Uani ?
C(322) 0.5456(16) 0.8496(11) 0.5132(6) 0.083(5) Uani ?
C(323) 0.621(2) 0.9490(13) 0.5478(8) 0.118(8) Uani ?
C(324) 0.774(2) 0.9887(14) 0.5571(7) 0.114(8) Uani ?
C(325) 0.8508(17) 0.9283(12) 0.5344(6) 0.095(6) Uani ?
C(326) 0.7767(16) 0.8271(10) 0.4978(5) 0.079(5) Uani ?
C(411) 0.4423(12) 0.3598(9) 0.3576(4) 0.050(3) Uani ?
C(412) 0.3096(13) 0.2800(9) 0.3686(5) 0.066(4) Uani ?
C(413) 0.1987(15) 0.2233(11) 0.3269(5) 0.079(5) Uani ?
C(414) 0.2186(14) 0.2496(10) 0.2758(5) 0.071(5) Uani ?
C(415) 0.3499(15) 0.3276(10) 0.2639(5) 0.073(5) Uani ?
C(416) 0.4640(13) 0.3842(9) 0.3056(4) 0.057(4) Uani ?
C(421) 0.6968(14) 0.3405(10) 0.4165(4) 0.062(5) Uani ?
C(422) 0.8203(15) 0.3757(12) 0.4542(6) 0.093(6) Uani ?
C(423) 0.9119(19) 0.3140(16) 0.4578(8) 0.125(9) Uani ?
C(424) 0.880(3) 0.218(2) 0.4218(8) 0.152(14) Uani ?
C(425) 0.753(3) 0.1761(17) 0.3859(7) 0.146(10) Uani ?
C(426) 0.664(2) 0.2430(15) 0.3824(6) 0.116(8) Uani ?
C(910) 0.763(2) 0.8611(15) 0.2811(6) 0.117(9) Uani ?
C(920) 1.1311(18) 0.8343(11) 0.2272(6) 0.100(6) Uani ?
C(930) 0.204(3) 0.6913(15) 0.7567(9) 0.175(13) Uani ?
H(112) 0.2542 0.6014 0.0778 0.0510 Uiso calc
H(113) 0.0591 0.5793 0.1349 0.0630 Uiso calc
H(114) 0.0961 0.5625 0.2249 0.0650 Uiso calc
H(115) 0.3325 0.5745 0.2585 0.0630 Uiso calc
H(116) 0.5285 0.5990 0.2030 0.0530 Uiso calc
H(11A) 0.7997 0.6147 0.0994 0.0370 Uiso calc
H(11B) 0.7405 0.6336 0.1568 0.0370 Uiso calc
H(122) 0.7766 0.7684 0.0309 0.0480 Uiso calc
H(123) 0.8679 0.9586 0.0272 0.0580 Uiso calc
H(124) 0.7884 1.0787 0.0838 0.0680 Uiso calc
H(125) 0.6233 1.0135 0.1472 0.0670 Uiso calc
H(126) 0.5244 0.8212 0.1511 0.0560 Uiso calc
H(212) 0.2500 0.3390 0.0730 0.0560 Uiso calc
H(213) 0.0573 0.2100 0.1089 0.0680 Uiso calc
H(214) 0.0985 0.0648 0.1434 0.0710 Uiso calc
H(215) 0.3314 0.0494 0.1420 0.0680 Uiso calc
H(216) 0.5241 0.1749 0.1055 0.0560 Uiso calc
H(21A) 0.6032 0.4487 0.1527 0.0430 Uiso calc
H(21B) 0.7543 0.4479 0.1293 0.0430 Uiso calc
H(222) 0.5191 0.1611 -0.0031 0.0480 Uiso calc
H(223) 0.6779 0.0793 -0.0454 0.0610 Uiso calc
H(224) 0.9329 0.1773 -0.0416 0.0630 Uiso calc
H(225) 1.0324 0.3577 0.0066 0.0580 Uiso calc
H(226) 0.8760 0.4387 0.0503 0.0470 Uiso calc
H(312) 0.2230 0.5054 0.4093 0.0910 Uiso calc
H(313) 0.0241 0.5164 0.3596 0.1040 Uiso calc
H(314) 0.0356 0.6749 0.3308 0.1230 Uiso calc
H(315) 0.2598 0.8283 0.3451 0.1270 Uiso calc
H(316) 0.4591 0.8216 0.3976 0.1150 Uiso calc
H(31A) 0.5797 0.6206 0.3566 0.0680 Uiso calc
H(31B) 0.7206 0.7119 0.3902 0.0680 Uiso calc
H(322) 0.4411 0.8235 0.5081 0.1090 Uiso calc
H(323) 0.5658 0.9893 0.5651 0.1540 Uiso calc
H(324) 0.8244 1.0572 0.5789 0.1490 Uiso calc
H(325) 0.9544 0.9522 0.5424 0.1220 Uiso calc
H(326) 0.8321 0.7862 0.4816 0.1030 Uiso calc
H(412) 0.2954 0.2647 0.4039 0.0850 Uiso calc
H(413) 0.1112 0.1677 0.3337 0.1030 Uiso calc
H(414) 0.1416 0.2140 0.2483 0.0930 Uiso calc
H(415) 0.3626 0.3426 0.2286 0.0950 Uiso calc
H(416) 0.5531 0.4374 0.2983 0.0740 Uiso calc
H(41A) 0.8028 0.5850 0.4194 0.0720 Uiso calc
H(41B) 0.7469 0.5349 0.3581 0.0720 Uiso calc
H(422) 0.8420 0.4428 0.4778 0.1200 Uiso calc
H(423) 0.9929 0.3371 0.4841 0.1630 Uiso calc
H(424) 0.9471 0.1800 0.4213 0.1980 Uiso calc
H(425) 0.7268 0.1059 0.3647 0.1910 Uiso calc
H(426) 0.5818 0.2198 0.3565 0.1510 Uiso calc
H(91A) 0.7442 0.7816 0.2741 0.1520 Uiso calc
H(91B) 0.8168 0.8945 0.2518 0.1520 Uiso calc
H(92A) 1.1980 0.7945 0.2161 0.1300 Uiso calc
H(92B) 1.0621 0.7920 0.2509 0.1300 Uiso calc
H(93A) 0.2272 0.6234 0.7505 0.2310 Uiso calc
H(93B) 0.1342 0.6898 0.7270 0.2310 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
O(1) Re(1) O(1) 179.996(2) ?
O(1) Re(1) P(1) 94.78(17) ?
O(1) Re(1) P(1) 85.23(17) ?
O(1) Re(1) P(1) 85.22(17) ?
O(1) Re(1) P(1) 94.77(17) ?
P(1) Re(1) P(1) 180.00(17) ?
O(1) Re(1) P(2) 95.78(16) ?
O(1) Re(1) P(2) 84.22(16) ?
P(1) Re(1) P(2) 79.56(7) ?
P(1) Re(1) P(2) 100.44(7) ?
O(1) Re(1) P(2) 84.22(16) ?
O(1) Re(1) P(2) 95.78(16) ?
P(1) Re(1) P(2) 100.44(7) ?
P(1) Re(1) P(2) 79.56(7) ?
P(2) Re(1) P(2) 180.00(7) ?
O(2) Re(2) O(2) 179.9970(10) ?
O(2) Re(2) P(4) 95.7(2) ?
O(2) Re(2) P(4) 84.3(2) ?
O(2) Re(2) P(4) 84.3(2) ?
O(2) Re(2) P(4) 95.7(2) ?
P(4) Re(2) P(4) 179.9990(10) ?
O(2) Re(2) P(3) 94.6(2) ?
O(2) Re(2) P(3) 85.4(2) ?
P(4) Re(2) P(3) 79.25(8) ?
P(4) Re(2) P(3) 100.75(8) ?
O(2) Re(2) P(3) 85.4(2) ?
O(2) Re(2) P(3) 94.6(2) ?
P(4) Re(2) P(3) 100.76(8) ?
P(4) Re(2) P(3) 79.24(8) ?
P(3) Re(2) P(3) 179.9970(10) ?
C(121) P(1) C(11) 104.0(3) ?
C(121) P(1) C(111) 105.2(4) ?
C(11) P(1) C(111) 108.3(4) ?
C(121) P(1) Re(1) 119.1(3) ?
C(11) P(1) Re(1) 102.8(3) ?
C(111) P(1) Re(1) 116.4(3) ?
C(211) P(2) C(221) 107.1(4) ?
C(211) P(2) C(21) 102.7(4) ?
C(221) P(2) C(21) 105.4(4) ?
C(211) P(2) Re(1) 119.6(3) ?
C(221) P(2) Re(1) 112.5(3) ?
C(21) P(2) Re(1) 108.2(3) ?
C(321) P(3) C(311) 105.9(5) ?
C(321) P(3) C(31) 105.9(5) ?
C(311) P(3) C(31) 102.3(5) ?
C(321) P(3) Re(2) 113.0(3) ?
C(311) P(3) Re(2) 120.3(3) ?
C(31) P(3) Re(2) 108.1(3) ?
C(411) P(4) C(421) 105.4(5) ?
C(411) P(4) C(41) 106.7(5) ?
C(421) P(4) C(41) 102.4(6) ?
C(411) P(4) Re(2) 118.0(3) ?
C(421) P(4) Re(2) 119.1(4) ?
C(41) P(4) Re(2) 103.5(3) ?
C(21) C(11) P(1) 111.2(5) ?
C(11) C(21) P(2) 113.0(5) ?
C(41) C(31) P(3) 114.2(7) ?
C(31) C(41) P(4) 110.9(7) ?
C(112) C(111) C(116) 120.1(8) ?
C(112) C(111) P(1) 118.1(6) ?
C(116) C(111) P(1) 121.8(6) ?
C(111) C(112) C(113) 119.8(9) ?
C(114) C(113) C(112) 120.8(9) ?
C(113) C(114) C(115) 118.4(9) ?
C(116) C(115) C(114) 121.7(9) ?
C(115) C(116) C(111) 119.2(9) ?
C(122) C(121) C(126) 119.6(7) ?
C(122) C(121) P(1) 118.6(6) ?
C(126) C(121) P(1) 121.8(7) ?
C(121) C(122) C(123) 119.9(8) ?
C(124) C(123) C(122) 120.7(9) ?
C(123) C(124) C(125) 120.4(8) ?
C(124) C(125) C(126) 120.2(9) ?
C(121) C(126) C(125) 119.2(9) ?
C(212) C(211) C(216) 118.2(8) ?
C(212) C(211) P(2) 120.5(6) ?
C(216) C(211) P(2) 121.2(7) ?
C(211) C(212) C(213) 121.2(9) ?
C(214) C(213) C(212) 120.1(10) ?
C(215) C(214) C(213) 119.5(8) ?
C(214) C(215) C(216) 121.2(9) ?
C(215) C(216) C(211) 119.8(9) ?
C(226) C(221) C(222) 119.4(8) ?
C(226) C(221) P(2) 119.8(6) ?
C(222) C(221) P(2) 120.6(6) ?
C(221) C(222) C(223) 119.8(9) ?
C(224) C(223) C(222) 120.7(9) ?
C(223) C(224) C(225) 119.6(9) ?
C(226) C(225) C(224) 120.1(9) ?
C(225) C(226) C(221) 120.5(8) ?
C(312) C(311) C(316) 115.3(10) ?
C(312) C(311) P(3) 122.9(8) ?
C(316) C(311) P(3) 120.8(9) ?
C(313) C(312) C(311) 122.3(13) ?
C(314) C(313) C(312) 121.1(15) ?
C(313) C(314) C(315) 120.0(14) ?
C(316) C(315) C(314) 119.2(15) ?
C(315) C(316) C(311) 121.7(14) ?
C(322) C(321) C(326) 118.0(11) ?
C(322) C(321) P(3) 121.1(9) ?
C(326) C(321) P(3) 120.0(9) ?
C(321) C(322) C(323) 121.0(14) ?
C(324) C(323) C(322) 121.0(16) ?
C(325) C(324) C(323) 119.0(15) ?
C(324) C(325) C(326) 121.0(15) ?
C(321) C(326) C(325) 119.9(14) ?
C(416) C(411) C(412) 120.7(10) ?
C(416) C(411) P(4) 122.5(8) ?
C(412) C(411) P(4) 116.8(8) ?
C(413) C(412) C(411) 119.8(11) ?
C(414) C(413) C(412) 119.5(12) ?
C(413) C(414) C(415) 121.6(11) ?
C(414) C(415) C(416) 119.4(11) ?
C(411) C(416) C(415) 119.0(11) ?
C(426) C(421) C(422) 119.7(12) ?
C(426) C(421) P(4) 121.8(10) ?
C(422) C(421) P(4) 118.5(9) ?
C(423) C(422) C(421) 121.6(14) ?
C(424) C(423) C(422) 117.8(17) ?
C(423) C(424) C(425) 122.5(18) ?
C(424) C(425) C(426) 117.7(16) ?
C(421) C(426) C(425) 120.2(14) ?
Cl(91) C(910) Cl(92) 111.3(9) ?
Cl(94) C(920) Cl(93) 111.2(8) ?
Cl(96) C(930) Cl(95) 105.0(10) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Re(1) O(1) 1.777(5) ?
Re(1) O(1) 1.777(5) ?
Re(1) P(1) 2.474(2) ?
Re(1) P(1) 2.474(2) ?
Re(1) P(2) 2.4865(19) ?
Re(1) P(2) 2.4866(19) ?
Re(2) O(2) 1.900(7) ?
Re(2) O(2) 1.900(8) ?
Re(2) P(4) 2.466(2) ?
Re(2) P(4) 2.466(2) ?
Re(2) P(3) 2.476(2) ?
Re(2) P(3) 2.476(2) ?
Cl(91) C(910) 1.741(17) ?
Cl(92) C(910) 1.761(17) ?
Cl(93) C(920) 1.724(14) ?
Cl(94) C(920) 1.718(15) ?
Cl(95) C(930) 1.80(2) ?
Cl(96) C(930) 1.79(2) ?
P(1) C(121) 1.816(7) ?
P(1) C(11) 1.819(8) ?
P(1) C(111) 1.822(8) ?
P(2) C(211) 1.810(8) ?
P(2) C(221) 1.824(8) ?
P(2) C(21) 1.854(8) ?
P(3) C(321) 1.797(10) ?
P(3) C(311) 1.798(10) ?
P(3) C(31) 1.851(10) ?
P(4) C(411) 1.812(10) ?
P(4) C(421) 1.821(11) ?
P(4) C(41) 1.829(10) ?
C(11) C(21) 1.542(10) ?
C(31) C(41) 1.501(14) ?
C(111) C(112) 1.377(12) ?
C(111) C(116) 1.389(12) ?
C(112) C(113) 1.406(12) ?
C(113) C(114) 1.374(13) ?
C(114) C(115) 1.389(14) ?
C(115) C(116) 1.388(12) ?
C(121) C(122) 1.388(12) ?
C(121) C(126) 1.392(12) ?
C(122) C(123) 1.395(12) ?
C(123) C(124) 1.365(13) ?
C(124) C(125) 1.368(14) ?
C(125) C(126) 1.415(12) ?
C(211) C(212) 1.361(12) ?
C(211) C(216) 1.422(12) ?
C(212) C(213) 1.388(12) ?
C(213) C(214) 1.378(14) ?
C(214) C(215) 1.364(14) ?
C(215) C(216) 1.370(12) ?
C(221) C(226) 1.390(11) ?
C(221) C(222) 1.391(11) ?
C(222) C(223) 1.395(12) ?
C(223) C(224) 1.377(13) ?
C(224) C(225) 1.390(14) ?
C(225) C(226) 1.385(12) ?
C(311) C(312) 1.380(15) ?
C(311) C(316) 1.402(15) ?
C(312) C(313) 1.378(16) ?
C(313) C(314) 1.307(19) ?
C(314) C(315) 1.39(2) ?
C(315) C(316) 1.376(17) ?
C(321) C(322) 1.358(16) ?
C(321) C(326) 1.380(16) ?
C(322) C(323) 1.386(18) ?
C(323) C(324) 1.37(2) ?
C(324) C(325) 1.32(2) ?
C(325) C(326) 1.423(18) ?
C(411) C(416) 1.379(13) ?
C(411) C(412) 1.389(15) ?
C(412) C(413) 1.382(16) ?
C(413) C(414) 1.365(16) ?
C(414) C(415) 1.376(16) ?
C(415) C(416) 1.398(15) ?
C(421) C(426) 1.349(17) ?
C(421) C(422) 1.382(17) ?
C(422) C(423) 1.377(18) ?
C(423) C(424) 1.36(2) ?
C(424) C(425) 1.38(2) ?
C(425) C(426) 1.413(19) ?
