#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/18/4321883.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_4321883
loop_
_publ_author_name
'Talia M. McKinney'
'Phillip E. Fanwick'
'Richard A. Walton'
_publ_contact_author
;
     Richard A. Walton
     Department of Chemistry
     Purdue University
     1393 Brown Building
     W. Lafayette
     IN 47907
     USA
;
_publ_contact_author_email       walton@chem.purdue.edu
_publ_contact_author_fax         '(765) 494 0239'
_publ_contact_author_phone       '(765) 494 5464'
_publ_section_title
;
 Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq =
 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines:
 Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of
 the Type ReH2(hq)(PPh3)2(PR3)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1548
_journal_page_last               1554
_journal_paper_doi               10.1021/ic981155z
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C52 H55 N O2 P3 Re'
_chemical_formula_weight         1005.15
_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_Xray_Crystallography
_cell_angle_alpha                93.196(16)
_cell_angle_beta                 93.898(15)
_cell_angle_gamma                96.215(16)
_cell_formula_units_Z            2
_cell_length_a                   12.240(2)
_cell_length_b                   12.411(3)
_cell_length_c                   15.196(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      45
_cell_measurement_theta_min      23
_cell_volume                     2284.9(8)
_computing_cell_refinement       CAD4_(Enraf-Nonius,_1977)
_computing_data_collection       CAD4_(Enraf-Nonius,_1977)
_computing_data_reduction        PROCESS_MolEN_(Fair,_1990)
_computing_molecular_graphics    ORTEP_(Johnson,_1976)
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
_computing_structure_refinement  LSFM_MolEN_(Fair,_1990)
_computing_structure_solution    PATTY_(DIRDIF92,_Beurskins,_1992)
_diffrn_ambient_temperature      296
_diffrn_measurement_device       Enraf_Nonius_CAD4
_diffrn_measurement_method       Enraf_Nonius_CAD4
_diffrn_radiation_type           Cu-K\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7534
_diffrn_reflns_theta_max         62.30
_diffrn_reflns_theta_min         2.69
_diffrn_standards_decay_%        3.68
_diffrn_standards_interval_time  83
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.320
_exptl_absorpt_correction_T_max  0.6844
_exptl_absorpt_correction_T_min  0.3627
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.46
_exptl_crystal_description       needle
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.372
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     519
_refine_ls_number_reflns         5679
_refine_ls_R_factor_all          0.065
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.051
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo²/ (σ²(Fo²) + 0.0016 Fo⁴)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.049
_reflns_number_observed          5679
_reflns_number_total             7223
_reflns_observed_criterion       >3.0\s(I)
_cod_data_source_file            ic981155z_2.cif
_cod_data_source_block           Compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/ (\s^2^(Fo^2^) + 0.0016
Fo^4^)' was changed to 'calc'. New tag '_refine_ls_weighting_details'
was created. The value of the new tag was set to 'w = 4Fo^2^/
(\s^2^(Fo^2^) + 0.0016 Fo^4^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2284.9(14)
_cod_original_formula_sum        'C52 H55 N1 O2 P3 Re1'
_cod_database_code               4321883
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 0.16916(3) 0.06531(2) 0.264339(19) 0.03335(6) Uani ?
P(1) 0.21021(14) -0.11705(14) 0.25995(11) 0.0379(4) Uani ?
P(2) 0.11633(14) 0.24409(14) 0.28139(11) 0.0389(4) Uani ?
P(3) 0.33953(15) 0.12744(15) 0.21017(12) 0.0452(5) Uani ?
O(2) 0.0847(3) 0.0380(4) 0.1277(3) 0.0405(12) Uani ?
N(1) -0.0048(4) 0.0026(4) 0.2462(3) 0.0376(14) Uani ?
C(2) -0.0089(5) 0.0040(5) 0.1579(4) 0.0405(17) Uani ?
C(3) -0.1073(6) -0.0316(6) 0.1034(4) 0.048(2) Uani ?
C(4) -0.1995(6) -0.0617(7) 0.1448(5) 0.059(2) Uani ?
C(5) -0.1964(5) -0.0609(6) 0.2375(5) 0.050(2) Uani ?
C(6) -0.2900(7) -0.0933(7) 0.2834(6) 0.066(3) Uani ?
C(7) -0.2863(7) -0.0944(7) 0.3731(6) 0.070(3) Uani ?
C(8) -0.1835(7) -0.0639(7) 0.4200(5) 0.065(2) Uani ?
C(9) -0.0916(6) -0.0301(6) 0.3798(4) 0.049(2) Uani ?
C(10) -0.0972(5) -0.0295(5) 0.2871(4) 0.0400(17) Uani ?
C(31) 0.4008(7) 0.2653(7) 0.2354(7) 0.074(3) Uani ?
C(32) 0.4612(6) 0.0609(7) 0.2406(6) 0.073(3) Uani ?
C(33) 0.3361(7) 0.1180(9) 0.0891(6) 0.088(3) Uani ?
C(111) 0.3071(5) -0.1640(5) 0.3452(4) 0.0402(17) Uani ?
C(112) 0.3536(6) -0.0941(6) 0.4159(5) 0.0490(19) Uani ?
C(113) 0.4206(6) -0.1297(7) 0.4848(5) 0.060(2) Uani ?
C(114) 0.4374(6) -0.2369(7) 0.4808(5) 0.068(2) Uani ?
C(115) 0.3915(6) -0.3098(6) 0.4117(5) 0.058(2) Uani ?
C(116) 0.3245(6) -0.2718(6) 0.3458(5) 0.056(2) Uani ?
C(121) 0.0964(6) -0.2218(5) 0.2722(4) 0.0438(18) Uani ?
C(122) 0.0521(7) -0.2269(6) 0.3536(5) 0.057(2) Uani ?
C(123) -0.0300(7) -0.3048(7) 0.3700(5) 0.064(2) Uani ?
C(124) -0.0733(7) -0.3818(7) 0.3057(6) 0.068(3) Uani ?
C(125) -0.0311(8) -0.3785(8) 0.2227(6) 0.078(3) Uani ?
C(126) 0.0516(7) -0.2997(7) 0.2056(5) 0.063(2) Uani ?
C(131) 0.2652(6) -0.1666(5) 0.1565(4) 0.0438(18) Uani ?
C(132) 0.2037(7) -0.1598(6) 0.0774(5) 0.058(2) Uani ?
C(133) 0.2420(8) -0.1878(7) -0.0030(5) 0.072(3) Uani ?
C(134) 0.3454(8) -0.2195(8) -0.0079(6) 0.087(3) Uani ?
C(135) 0.4082(8) -0.2253(9) 0.0709(6) 0.087(3) Uani ?
C(136) 0.3684(7) -0.1993(7) 0.1520(5) 0.062(2) Uani ?
C(211) -0.0299(6) 0.2524(5) 0.2959(4) 0.0443(18) Uani ?
C(212) -0.0712(6) 0.2237(6) 0.3761(5) 0.057(2) Uani ?
C(213) -0.1772(6) 0.2287(7) 0.3931(6) 0.066(2) Uani ?
C(214) -0.2522(7) 0.2589(8) 0.3287(6) 0.082(3) Uani ?
C(215) -0.2137(7) 0.2866(9) 0.2484(6) 0.082(3) Uani ?
C(216) -0.1062(7) 0.2838(7) 0.2334(5) 0.067(3) Uani ?
C(221) 0.1727(5) 0.3337(6) 0.3779(4) 0.0424(18) Uani ?
C(222) 0.2576(6) 0.3088(6) 0.4344(5) 0.050(2) Uani ?
C(223) 0.2972(6) 0.3787(7) 0.5070(5) 0.058(2) Uani ?
C(224) 0.2527(7) 0.4718(6) 0.5247(5) 0.060(2) Uani ?
C(225) 0.1677(7) 0.5005(6) 0.4713(5) 0.058(2) Uani ?
C(226) 0.1271(6) 0.4304(6) 0.3979(5) 0.052(2) Uani ?
C(231) 0.1367(6) 0.3328(6) 0.1881(5) 0.050(2) Uani ?
C(232) 0.1020(7) 0.2861(7) 0.1043(5) 0.064(2) Uani ?
C(233) 0.1136(10) 0.3494(8) 0.0310(5) 0.088(3) Uani ?
C(234) 0.1598(9) 0.4514(7) 0.0394(6) 0.089(3) Uani ?
C(235) 0.1995(8) 0.4981(7) 0.1201(6) 0.081(3) Uani ?
C(236) 0.1868(7) 0.4390(6) 0.1970(5) 0.064(2) Uani ?
C(901) 0.4656(19) 0.4686(18) 0.7761(14) 0.242(10) Uiso ?
C(902) 0.3849(16) 0.3785(16) 0.7622(13) 0.199(8) Uiso ?
C(903) 0.3307(17) 0.3808(16) 0.8585(13) 0.215(9) Uiso ?
C(904) 0.4140(19) 0.4553(18) 0.9077(14) 0.239(10) Uiso ?
C(905) 0.4172(17) 0.5361(16) 0.8534(13) 0.207(8) Uiso ?
H(1) 0.158(5) 0.082(5) 0.378(4) 0.039(17) Uiso ?
H(2) 0.269(6) 0.104(5) 0.337(4) 0.06(2) Uiso ?
H(31) -0.109(5) -0.034(4) 0.027(4) 0.038(17) Uiso ?
H(41) -0.2683 -0.0840 0.1108 0.0738 Uiso calc
H(61) -0.3594 -0.1177 0.2490 0.0835 Uiso calc
H(71) -0.3520 -0.1160 0.4033 0.0902 Uiso calc
H(81) -0.1775 -0.0661 0.4838 0.0843 Uiso calc
H(91) -0.0222 -0.0067 0.4146 0.0628 Uiso calc
H(311) 0.4706 0.2772 0.2109 0.0950 Uiso calc
H(312) 0.4117 0.2806 0.2981 0.0950 Uiso calc
H(313) 0.3541 0.3154 0.2118 0.0950 Uiso calc
H(321) 0.5226 0.0874 0.2095 0.0934 Uiso calc
H(322) 0.4470 -0.0167 0.2268 0.0934 Uiso calc
H(323) 0.4814 0.0717 0.3028 0.0934 Uiso calc
H(331) 0.4089 0.1327 0.0696 0.1074 Uiso calc
H(332) 0.2910 0.1680 0.0642 0.1074 Uiso calc
H(333) 0.3073 0.0458 0.0658 0.1074 Uiso calc
H(1121) 0.3394 -0.0179 0.4182 0.0627 Uiso calc
H(1131) 0.4527 -0.0796 0.5339 0.0779 Uiso calc
H(1141) 0.4830 -0.2632 0.5279 0.0865 Uiso calc
H(1151) 0.4074 -0.3852 0.4097 0.0749 Uiso calc
H(1161) 0.2889 -0.3227 0.2979 0.0740 Uiso calc
H(1221) 0.0815 -0.1737 0.4011 0.0741 Uiso calc
H(1231) -0.0605 -0.3041 0.4273 0.0811 Uiso calc
H(1241) -0.1330 -0.4363 0.3174 0.0889 Uiso calc
H(1251) -0.0570 -0.4349 0.1770 0.1024 Uiso calc
H(1261) 0.0781 -0.2981 0.1468 0.0802 Uiso calc
H(1321) 0.1316 -0.1324 0.0787 0.0744 Uiso calc
H(1331) 0.1955 -0.1867 -0.0571 0.0933 Uiso calc
H(1341) 0.3727 -0.2391 -0.0648 0.1089 Uiso calc
H(1351) 0.4818 -0.2495 0.0678 0.1170 Uiso calc
H(1361) 0.4144 -0.2030 0.2073 0.0809 Uiso calc
H(2121) -0.0215 0.2006 0.4219 0.0742 Uiso calc
H(2131) -0.2013 0.2113 0.4507 0.0864 Uiso calc
H(2141) -0.3298 0.2575 0.3405 0.1039 Uiso calc
H(2151) -0.2634 0.3104 0.2034 0.1057 Uiso calc
H(2161) -0.0812 0.3058 0.1774 0.0881 Uiso calc
H(2221) 0.2893 0.2416 0.4234 0.0658 Uiso calc
H(2231) 0.3583 0.3607 0.5456 0.0730 Uiso calc
H(2241) 0.2811 0.5183 0.5761 0.0749 Uiso calc
H(2251) 0.1365 0.5682 0.4834 0.0741 Uiso calc
H(2261) 0.0661 0.4486 0.3592 0.0664 Uiso calc
H(2321) 0.0702 0.2129 0.0969 0.0826 Uiso calc
H(2331) 0.0837 0.3180 -0.0278 0.1121 Uiso calc
H(2341) 0.1654 0.4928 -0.0120 0.1128 Uiso calc
H(2351) 0.2362 0.5725 0.1248 0.1011 Uiso calc
H(2361) 0.2125 0.4718 0.2557 0.0814 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
P(1) Re P(2) 173.95(5) ?
P(1) Re P(3) 92.43(5) ?
P(1) Re O(2) 90.51(9) ?
P(1) Re N(1) 87.86(10) ?
P(1) Re H(1) 97.5(14) ?
P(1) Re H(2) 92.6(18) ?
P(2) Re P(3) 92.86(5) ?
P(2) Re O(2) 92.21(9) ?
P(2) Re N(1) 88.82(11) ?
P(2) Re H(1) 77.4(14) ?
P(2) Re H(2) 87.0(18) ?
P(3) Re O(2) 92.55(9) ?
P(3) Re N(1) 152.44(10) ?
P(3) Re H(1) 117.3(15) ?
P(3) Re H(2) 63.9(18) ?
O(2) Re N(1) 59.90(13) ?
O(2) Re H(1) 148.6(15) ?
O(2) Re H(2) 156.3(18) ?
N(1) Re H(1) 90.0(15) ?
N(1) Re H(2) 143.7(18) ?
H(1) Re H(2) 54(2) ?
Re P(1) C(111) 121.10(17) ?
Re P(1) C(121) 117.02(17) ?
Re P(1) C(131) 115.53(16) ?
C(111) P(1) C(121) 96.2(2) ?
C(111) P(1) C(131) 101.7(2) ?
C(121) P(1) C(131) 101.8(2) ?
Re P(2) C(211) 115.73(17) ?
Re P(2) C(221) 119.69(17) ?
Re P(2) C(231) 117.23(18) ?
C(211) P(2) C(221) 97.6(2) ?
C(211) P(2) C(231) 100.4(2) ?
C(221) P(2) C(231) 102.8(2) ?
Re P(3) C(31) 120.6(2) ?
Re P(3) C(32) 119.3(2) ?
Re P(3) C(33) 113.1(2) ?
C(31) P(3) C(32) 97.3(3) ?
C(31) P(3) C(33) 101.3(3) ?
C(32) P(3) C(33) 102.0(3) ?
Re O(2) C(2) 92.3(3) ?
Re N(1) C(2) 94.1(3) ?
Re N(1) C(10) 145.7(3) ?
C(2) N(1) C(10) 120.2(4) ?
O(2) C(2) N(1) 113.7(4) ?
O(2) C(2) C(3) 124.1(4) ?
N(1) C(2) C(3) 122.1(5) ?
C(2) C(3) C(4) 117.3(5) ?
C(3) C(4) C(5) 120.9(5) ?
C(4) C(5) C(6) 122.8(5) ?
C(4) C(5) C(10) 119.4(5) ?
C(6) C(5) C(10) 117.8(5) ?
C(5) C(6) C(7) 122.6(6) ?
C(6) C(7) C(8) 117.2(6) ?
C(7) C(8) C(9) 122.8(6) ?
C(8) C(9) C(10) 119.1(5) ?
N(1) C(10) C(5) 120.1(5) ?
N(1) C(10) C(9) 119.5(5) ?
C(5) C(10) C(9) 120.4(5) ?
P(1) C(111) C(112) 120.8(4) ?
P(1) C(111) C(116) 120.7(4) ?
C(112) C(111) C(116) 118.1(5) ?
C(111) C(112) C(113) 121.9(5) ?
C(112) C(113) C(114) 117.4(6) ?
C(113) C(114) C(115) 122.5(5) ?
C(114) C(115) C(116) 118.2(5) ?
C(111) C(116) C(115) 121.7(5) ?
P(1) C(121) C(122) 118.2(4) ?
P(1) C(121) C(126) 124.8(4) ?
C(122) C(121) C(126) 117.0(5) ?
C(121) C(122) C(123) 122.4(5) ?
C(122) C(123) C(124) 120.9(6) ?
C(123) C(124) C(125) 118.2(6) ?
C(124) C(125) C(126) 121.2(6) ?
C(121) C(126) C(125) 120.3(6) ?
P(1) C(131) C(132) 118.3(4) ?
P(1) C(131) C(136) 124.0(4) ?
C(132) C(131) C(136) 117.4(5) ?
C(131) C(132) C(133) 122.0(6) ?
C(132) C(133) C(134) 120.8(6) ?
C(133) C(134) C(135) 117.6(6) ?
C(134) C(135) C(136) 121.5(7) ?
C(131) C(136) C(135) 120.7(6) ?
P(2) C(211) C(212) 118.5(4) ?
P(2) C(211) C(216) 125.8(4) ?
C(212) C(211) C(216) 115.6(5) ?
C(211) C(212) C(213) 122.7(5) ?
C(212) C(213) C(214) 120.4(6) ?
C(213) C(214) C(215) 118.1(6) ?
C(214) C(215) C(216) 120.7(6) ?
C(211) C(216) C(215) 122.6(6) ?
P(2) C(221) C(222) 122.6(4) ?
P(2) C(221) C(226) 120.2(4) ?
C(222) C(221) C(226) 117.2(5) ?
C(221) C(222) C(223) 120.6(5) ?
C(222) C(223) C(224) 121.2(5) ?
C(223) C(224) C(225) 120.9(5) ?
C(224) C(225) C(226) 118.3(5) ?
C(221) C(226) C(225) 121.8(5) ?
P(2) C(231) C(232) 116.3(4) ?
P(2) C(231) C(236) 124.4(4) ?
C(232) C(231) C(236) 119.3(5) ?
C(231) C(232) C(233) 119.1(6) ?
C(232) C(233) C(234) 121.7(7) ?
C(233) C(234) C(235) 120.7(6) ?
C(234) C(235) C(236) 120.0(6) ?
C(231) C(236) C(235) 119.1(6) ?
C(902) C(901) C(905) 101.1(17) ?
C(901) C(902) C(903) 100.4(15) ?
C(902) C(903) C(904) 98.8(15) ?
C(903) C(904) C(905) 98.8(17) ?
C(901) C(905) C(904) 94.2(16) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Re P(1) 2.3692(13) ?
Re P(2) 2.3828(13) ?
Re P(3) 2.3615(14) ?
Re O(2) 2.247(3) ?
Re N(1) 2.180(4) ?
Re H(1) 1.75(4) ?
Re H(2) 1.61(5) ?
P(1) C(111) 1.857(5) ?
P(1) C(121) 1.826(5) ?
P(1) C(131) 1.852(5) ?
P(2) C(211) 1.832(5) ?
P(2) C(221) 1.837(5) ?
P(2) C(231) 1.857(5) ?
P(3) C(31) 1.802(6) ?
P(3) C(32) 1.825(6) ?
P(3) C(33) 1.835(7) ?
O(2) C(2) 1.299(6) ?
N(1) C(2) 1.341(6) ?
N(1) C(10) 1.360(6) ?
C(2) C(3) 1.429(7) ?
C(3) C(4) 1.356(8) ?
C(4) C(5) 1.406(7) ?
C(5) C(6) 1.415(8) ?
C(5) C(10) 1.391(7) ?
C(6) C(7) 1.362(9) ?
C(7) C(8) 1.407(9) ?
C(8) C(9) 1.353(8) ?
C(9) C(10) 1.406(7) ?
C(111) C(112) 1.392(7) ?
C(111) C(116) 1.378(7) ?
C(112) C(113) 1.406(7) ?
C(113) C(114) 1.367(9) ?
C(114) C(115) 1.393(9) ?
C(115) C(116) 1.387(7) ?
C(121) C(122) 1.387(7) ?
C(121) C(126) 1.399(7) ?
C(122) C(123) 1.363(8) ?
C(123) C(124) 1.365(8) ?
C(124) C(125) 1.395(9) ?
C(125) C(126) 1.378(9) ?
C(131) C(132) 1.387(7) ?
C(131) C(136) 1.374(8) ?
C(132) C(133) 1.378(8) ?
C(133) C(134) 1.371(10) ?
C(134) C(135) 1.388(10) ?
C(135) C(136) 1.390(9) ?
C(211) C(212) 1.401(7) ?
C(211) C(216) 1.387(8) ?
C(212) C(213) 1.348(8) ?
C(213) C(214) 1.391(9) ?
C(214) C(215) 1.386(10) ?
C(215) C(216) 1.355(9) ?
C(221) C(222) 1.376(7) ?
C(221) C(226) 1.404(7) ?
C(222) C(223) 1.391(7) ?
C(223) C(224) 1.351(8) ?
C(224) C(225) 1.366(8) ?
C(225) C(226) 1.404(8) ?
C(231) C(232) 1.389(8) ?
C(231) C(236) 1.388(8) ?
C(232) C(233) 1.405(8) ?
C(233) C(234) 1.325(10) ?
C(234) C(235) 1.361(10) ?
C(235) C(236) 1.422(8) ?
C(901) C(902) 1.41(2) ?
C(901) C(905) 1.59(2) ?
C(902) C(903) 1.648(19) ?
C(903) C(904) 1.44(2) ?
C(904) C(905) 1.33(2) ?
