#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/36/2003605.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2003605
loop_
_publ_author_name
'Bubenheim, W.'
'Frenzen, G.'
'Müller, U.'
_publ_section_title
;
 Die Chloroindate [PPh₄]₂[In₂Cl₆] und
 [PPh₄]₂[InCl₅].CH₃CN
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1120
_journal_page_last               1124
_journal_paper_doi               10.1107/S0108270194011789
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C50 H43 Cl5 In N P2'
_chemical_formula_weight         1011.93
_chemical_name_systematic
' Tetraphenylphosphonium-pentachloroindat(III)-Acetonitril'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.03(2)
_cell_angle_beta                 95.25(2)
_cell_angle_gamma                107.34(2)
_cell_formula_units_Z            2
_cell_length_a                   10.093(2)
_cell_length_b                   11.018(3)
_cell_length_c                   22.133(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      7
_cell_volume                     2316.8(9)
_computing_cell_refinement       'Enraf-Nonius Meßprogramm'
_computing_data_collection       'Enraf-Nonius Meßprogramm'
_computing_data_reduction        'XCAD4 (Harms, 1987)'
_computing_molecular_graphics
' ORTEX (McArdle, 1994), SCHAKAL (Keller, 1988)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution
' ORTEX (McArdle, 1994), SCHAKAL (Keller, 1988)'
_diffrn_ambient_temperature      299(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  Graphit
_diffrn_radiation_source         Feinfokus-R\"ohre
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0092
_diffrn_reflns_av_sigmaI/netI    0.0177
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            8795
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.6
_diffrn_standards_decay_%        4.2
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   'empirisch nach \y-scans'
_exptl_crystal_colour            farblos
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_F_000             1028
_refine_diff_density_max         0.720
_refine_diff_density_min         -0.457
_refine_ls_extinction_method     keine
_refine_ls_goodness_of_fit_all   1.056
_refine_ls_goodness_of_fit_obs   1.075
_refine_ls_hydrogen_treatment    'starre C---H-Gruppen'
_refine_ls_matrix_type           'volle Matrix'
_refine_ls_number_parameters     564
_refine_ls_number_reflns         8108
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_restrained_S_obs      1.075
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_obs          0.0297
_refine_ls_shift/esd_max         0.135
_refine_ls_shift/esd_mean        0.005
_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(F~o~^2^) + (0.0441P)^2^ + 1.1111P] mit P =
(F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0804
_refine_ls_wR_factor_obs         0.0762
_reflns_number_observed          7095
_reflns_number_total             8108
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            se1075.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2003605
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_occupancy
_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
_atom_site_refinement_flags
_atom_site_type_symbol
In 1 0.33422(2) 0.02187(2) 0.238645(8) 0.03987(7) Uani d . In
Cl(1) 1 0.23077(9) 0.07623(8) 0.14216(3) 0.0636(2) Uani d . Cl
Cl(2) 1 0.42730(9) -0.02031(8) 0.34104(4) 0.0693(2) Uani d . Cl
Cl(3) 1 0.22173(8) -0.20521(6) 0.20658(4) 0.0565(2) Uani d . Cl
Cl(4) 1 0.56821(8) 0.09958(8) 0.21228(4) 0.0633(2) Uani d . Cl
Cl(5) 1 0.23044(9) 0.16027(8) 0.29605(4) 0.0652(2) Uani d . Cl
C(1) 1 0.5259(8) 0.9549(6) 0.4931(3) 0.117(2) Uani d . C
N 0.5 0.5707(9) 0.8656(11) 0.4771(4) 0.149(5) Uani d . N
P(11) 1 -0.07452(7) 0.66741(6) 0.40350(3) 0.0435(2) Uani d . P
C(111) 1 0.0688(3) 0.6111(3) 0.3864(1) 0.0459(6) Uani d . C
C(121) 1 0.1951(3) 0.6956(3) 0.3763(1) 0.0527(7) Uani d . C
H(121) 1 0.2058(3) 0.7828(3) 0.3781(1) 0.06(1) Uiso calc R H
C(131) 1 0.3045(4) 0.6504(3) 0.3636(1) 0.0630(8) Uani d . C
H(131) 1 0.3882(4) 0.7068(3) 0.3559(2) 0.07(1) Uiso calc R H
C(141) 1 0.2902(4) 0.5219(4) 0.3625(1) 0.0685(9) Uani d . C
H(141) 1 0.3644(4) 0.4919(4) 0.3541(1) 0.08(1) Uiso calc R H
C(151) 1 0.1669(4) 0.4379(3) 0.3736(1) 0.0660(9) Uani d . C
H(151) 1 0.1584(4) 0.3514(3) 0.3732(1) 0.07(1) Uiso calc R H
C(161) 1 0.0560(4) 0.4809(3) 0.3856(1) 0.0563(7) Uani d . C
H(161) 1 -0.0274(4) 0.4235(3) 0.3931(1) 0.08(1) Uiso calc R H
C(211) 1 -0.0251(3) 0.7669(2) 0.4773(1) 0.0481(6) Uani d . C
C(221) 1 -0.1170(4) 0.8274(3) 0.4995(2) 0.0617(8) Uani d . C
H(221) 1 -0.1984(4) 0.8232(3) 0.4749(2) 0.054(9) Uiso calc R H
C(231) 1 -0.0873(5) 0.8935(3) 0.5580(2) 0.073(1) Uani d . C
H(231) 1 -0.1497(5) 0.9327(3) 0.5731(2) 0.085(1) Uiso calc R H
C(241) 1 0.0330(5) 0.9017(3) 0.5937(2) 0.076(1) Uani d . C
H(241) 1 0.0518(5) 0.9460(3) 0.6332(2) 0.10(1) Uiso calc R H
C(251) 1 0.1273(4) 0.8453(3) 0.5720(2) 0.076(1) Uani d . C
H(251) 1 0.2107(4) 0.8536(3) 0.5961(2) 0.08(1) Uiso calc R H
C(261) 1 0.0963(4) 0.7757(3) 0.5134(1) 0.0608(8) Uani d . C
H(261) 1 0.1580(4) 0.7351(3) 0.4987(1) 0.055(9) Uiso calc R H
C(311) 1 -0.2246(3) 0.5324(3) 0.4075(1) 0.0487(6) Uani d . C
C(321) 1 -0.2747(3) 0.5077(3) 0.4622(1) 0.0549(7) Uani d . C
H(321) 1 -0.2316(3) 0.5613(3) 0.4984(1) 0.058(9) Uiso calc R H
C(331) 1 -0.3908(4) 0.4011(3) 0.4623(2) 0.0681(9) Uani d . C
H(331) 1 -0.4267(4) 0.3845(3) 0.4989(2) 0.09(1) Uiso calc R H
C(341) 1 -0.4528(4) 0.3205(3) 0.4095(2) 0.0706(9) Uani d . C
H(341) 1 -0.5305(4) 0.2496(3) 0.4101(2) 0.09(1) Uiso calc R H
C(351) 1 -0.4002(4) 0.3444(3) 0.3556(2) 0.076(1) Uani d . C
H(351) 1 -0.4411(4) 0.2884(3) 0.3198(2) 0.10(1) Uiso calc R H
C(361) 1 -0.2875(4) 0.4506(3) 0.3540(2) 0.0692(9) Uani d . C
H(361) 1 -0.2536(4) 0.4675(3) 0.3170(2) 0.08(1) Uiso calc R H
C(411) 1 -0.1273(3) 0.7494(2) 0.3441(1) 0.0451(6) Uani d . C
C(421) 1 -0.0447(3) 0.7926(3) 0.2993(1) 0.0531(7) Uani d . C
H(421) 1 0.0419(3) 0.7791(3) 0.2996(1) 0.07(1) Uiso calc R H
C(431) 1 -0.0911(4) 0.8556(3) 0.2552(2) 0.0622(8) Uani d . C
H(431) 1 -0.0359(4) 0.8834(3) 0.2248(2) 0.08(1) Uiso calc R H
C(441) 1 -0.2174(4) 0.8776(3) 0.2558(2) 0.0665(9) Uani d . C
H(441) 1 -0.2475(4) 0.9205(3) 0.2260(2) 0.07(1) Uiso calc R H
C(451) 1 -0.2995(4) 0.8368(4) 0.2999(2) 0.074(1) Uani d . C
H(451) 1 -0.3849(4) 0.8528(4) 0.3004(2) 0.11(1) Uiso calc R H
C(461) 1 -0.2562(3) 0.7720(3) 0.3436(2) 0.0654(8) Uani d . C
H(461) 1 -0.3133(3) 0.7430(3) 0.3731(2) 0.08(1) Uiso calc R H
P(22) 1 0.71497(7) 0.43798(7) 0.08456(3) 0.0428(2) Uani d . P
C(112) 1 0.6006(3) 0.4894(2) 0.1311(1) 0.0414(6) Uani d . C
C(122) 1 0.5379(4) 0.4109(3) 0.1725(1) 0.0586(8) Uani d . C
H(122) 1 0.5593(4) 0.3356(3) 0.1771(1) 0.06(1) Uiso calc R H
C(132) 1 0.4440(4) 0.4453(3) 0.2066(2) 0.0691(9) Uani d . C
H(132) 1 0.4000(4) 0.3920(3) 0.2335(2) 0.07(1) Uiso calc R H
C(142) 1 0.4152(4) 0.5577(3) 0.2010(2) 0.0660(9) Uani d . C
H(142) 1 0.3527(4) 0.5809(3) 0.2246(2) 0.07(1) Uiso calc R H
C(152) 1 0.4781(3) 0.6363(3) 0.1607(1) 0.0602(8) Uani d . C
H(152) 1 0.4589(3) 0.7130(3) 0.1575(1) 0.08(1) Uiso calc R H
C(162) 1 0.5694(3) 0.6018(3) 0.1250(1) 0.0485(6) Uani d . C
H(162) 1 0.6100(3) 0.6540(3) 0.0969(1) 0.05(1) Uiso calc R H
C(212) 1 0.6172(3) 0.3041(3) 0.0284(1) 0.0467(6) Uani d . C
C(222) 1 0.6847(4) 0.2589(3) -0.0170(1) 0.0623(8) Uani d . C
H(222) 1 0.7791(4) 0.2994(3) -0.0188(1) 0.07(1) Uiso calc R H
C(232) 1 0.6106(5) 0.1537(4) -0.0593(2) 0.075(1) Uani d . C
H(232) 1 0.6554(5) 0.1234(4) -0.0897(2) 0.08(1) Uiso calc R H
C(242) 1 0.4718(5) 0.0936(3) -0.0569(2) 0.077(1) Uani d . C
H(242) 1 0.4226(5) 0.0228(3) -0.0856(2) 0.08(1) Uiso calc R H
C(252) 1 0.4055(4) 0.1378(3) -0.0124(2) 0.0731(9) Uani d . C
H(252) 1 0.3109(4) 0.0972(3) -0.0111(2) 0.08(1) Uiso calc R H
C(262) 1 0.4777(3) 0.2418(3) 0.0306(1) 0.0568(7) Uani d . C
H(262) 1 0.4321(3) 0.2701(3) 0.0612(1) 0.067(1) Uiso calc R H
C(312) 1 0.8352(3) 0.3894(3) 0.1341(1) 0.0523(7) Uani d . C
C(322) 1 0.9135(5) 0.4762(4) 0.1845(2) 0.091(1) Uani d . C
H(322) 1 0.9011(5) 0.5564(4) 0.1927(2) 0.12(2) Uiso calc R H
C(332) 1 1.0100(5) 0.4420(5) 0.2221(2) 0.107(2) Uani d . C
H(332) 1 1.0656(5) 0.5008(5) 0.2547(2) 0.16(2) Uiso calc R H
C(342) 1 1.0234(5) 0.3224(5) 0.2114(2) 0.092(1) Uani d . C
H(342) 1 1.0884(5) 0.3001(5) 0.2368(2) 0.09(1) Uiso calc R H
C(352) 1 0.9424(5) 0.2350(5) 0.1639(2) 0.088(1) Uani d . C
H(352) 1 0.9503(5) 0.1528(5) 0.1579(2) 0.09(1) Uiso calc R H
C(362) 1 0.8479(4) 0.2685(4) 0.1243(2) 0.0677(9) Uani d . C
H(362) 1 0.7938(4) 0.2095(4) 0.0915(2) 0.06(1) Uiso calc R H
C(412) 1 0.8052(3) 0.5692(3) 0.0464(1) 0.0471(6) Uani d . C
C(422) 1 0.7671(3) 0.5702(3) -0.0153(1) 0.0598(8) Uani d . C
H(422) 1 0.6983(3) 0.5004(3) -0.0381(1) 0.06(1) Uiso calc R H
C(432) 1 0.8319(4) 0.6759(4) -0.0430(2) 0.074(1) Uani d . C
H(432) 1 0.8070(4) 0.6760(4) -0.0845(2) 0.09(1) Uiso calc R H
C(442) 1 0.9310(4) 0.7787(4) -0.0101(2) 0.072(1) Uani d . C
H(442) 1 0.9722(4) 0.8495(4) -0.0290(2) 0.08(1) Uiso calc R H
C(452) 1 0.9705(4) 0.7794(4) 0.0501(2) 0.083(1) Uani d . C
H(452) 1 1.0392(4) 0.8503(4) 0.0723(2) 0.09(1) Uiso calc R H
C(462) 1 0.9086(4) 0.6743(4) 0.0789(2) 0.076(1) Uani d . C
H(462) 1 0.9368(4) 0.6746(4) 0.1201(2) 0.10(1) Uiso calc R H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_source
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
C C
; International Tables for Crystallography (1992). Bd. C, Tabelle 4.2.6.8
und 6.1.1.4
;
0.0033 0.0016
H H
; International Tables for Crystallography (1992). Bd. C, Tabelle 4.2.6.8
und 6.1.1.4
;
0.0000 0.0000
P P
; International Tables for Crystallography (1992). Bd. C, Tabelle 4.2.6.8
und 6.1.1.4
;
0.1023 0.0942
Cl Cl
; International Tables for Crystallography (1992). Bd. C, Tabelle 4.2.6.8
und 6.1.1.4
;
0.1484 0.1585
In In
; International Tables for Crystallography (1992). Bd. C, Tabelle 4.2.6.8
und 6.1.1.4
;
-0.7276 1.3100
N N
; International Tables for Crystallography (1992). Bd. C, Tabelle 4.2.6.8
und 6.1.1.4
;
0.0061 0.0033
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl(1) In Cl(2) . 174.74(3) yes
Cl(1) In Cl(3) . 91.71(4) yes
Cl(1) In Cl(4) . 92.17(4) yes
Cl(1) In Cl(5) . 88.73(3) yes
Cl(2) In Cl(3) . 91.05(4) yes
Cl(2) In Cl(4) . 90.81(4) yes
Cl(2) In Cl(5) . 86.01(3) yes
Cl(3) In Cl(4) . 113.87(3) yes
Cl(3) In Cl(5) . 124.24(3) yes
Cl(4) In Cl(5) . 121.83(4) yes
N C(1) C(1) 2_676 176.60(10) yes
C(111) P(11) C(211) . 108.10(10) yes
C(111) P(11) C(311) . 109.20(10) yes
C(111) P(11) C(411) . 112.20(10) yes
C(211) P(11) C(311) . 109.00(10) yes
C(211) P(11) C(411) . 112.50(10) yes
C(311) P(11) C(411) . 105.70(10) yes
C(121) C(111) C(161) . 119.2(3) no
C(121) C(111) P(11) . 120.9(2) no
C(161) C(111) P(11) . 119.8(2) no
C(131) C(121) C(111) . 120.0(3) no
C(141) C(131) C(121) . 120.1(3) no
C(151) C(141) C(131) . 120.3(3) no
C(141) C(151) C(161) . 120.4(3) no
C(151) C(161) C(111) . 119.8(3) no
C(261) C(211) C(221) . 119.8(3) no
C(261) C(211) P(11) . 121.0(2) no
C(221) C(211) P(11) . 119.0(2) no
C(231) C(221) C(211) . 119.9(4) no
C(241) C(231) C(221) . 120.1(4) no
C(231) C(241) C(251) . 120.8(3) no
C(241) C(251) C(261) . 119.3(4) no
C(211) C(261) C(251) . 120.0(3) no
C(321) C(311) C(361) . 120.2(3) no
C(321) C(311) P(11) . 121.6(2) no
C(361) C(311) P(11) . 118.1(2) no
C(311) C(321) C(331) . 118.9(3) no
C(341) C(331) C(321) . 120.8(3) no
C(331) C(341) C(351) . 119.8(3) no
C(341) C(351) C(361) . 120.6(3) no
C(351) C(361) C(311) . 119.7(3) no
C(421) C(411) C(461) . 118.5(3) no
C(421) C(411) P(11) . 122.9(2) no
C(461) C(411) P(11) . 118.6(2) no
C(431) C(421) C(411) . 120.0(3) no
C(441) C(431) C(421) . 120.5(3) no
C(451) C(441) C(431) . 120.3(3) no
C(441) C(451) C(461) . 120.0(3) no
C(451) C(461) C(411) . 120.7(3) no
C(112) P(22) C(212) . 110.40(10) yes
C(112) P(22) C(312) . 107.50(10) yes
C(112) P(22) C(412) . 108.80(10) yes
C(212) P(22) C(312) . 109.20(10) yes
C(212) P(22) C(412) . 109.40(10) yes
C(312) P(22) C(412) . 111.5(2) yes
C(162) C(112) C(122) . 119.8(2) no
C(162) C(112) P(22) . 121.6(2) no
C(122) C(112) P(22) . 118.5(2) no
C(132) C(122) C(112) . 119.5(3) no
C(142) C(132) C(122) . 120.3(3) no
C(132) C(142) C(152) . 120.3(3) no
C(142) C(152) C(162) . 120.2(3) no
C(152) C(162) C(112) . 119.7(3) no
C(262) C(212) C(222) . 119.2(3) no
C(262) C(212) P(22) . 121.3(2) no
C(222) C(212) P(22) . 119.5(2) no
C(232) C(222) C(212) . 119.6(3) no
C(242) C(232) C(222) . 120.5(3) no
C(252) C(242) C(232) . 120.0(3) no
C(242) C(252) C(262) . 120.5(4) no
C(252) C(262) C(212) . 120.2(3) no
C(362) C(312) C(322) . 120.0(3) no
C(362) C(312) P(22) . 121.4(3) no
C(322) C(312) P(22) . 118.6(3) no
C(332) C(322) C(312) . 119.5(4) no
C(342) C(332) C(322) . 120.0(5) no
C(332) C(342) C(352) . 120.7(4) no
C(342) C(352) C(362) . 120.2(4) no
C(312) C(362) C(352) . 119.5(4) no
C(462) C(412) C(422) . 118.6(3) no
C(462) C(412) P(22) . 120.6(2) no
C(422) C(412) P(22) . 120.7(2) no
C(412) C(422) C(432) . 119.8(3) no
C(442) C(432) C(422) . 120.5(3) no
C(432) C(442) C(452) . 120.6(3) no
C(442) C(452) C(462) . 120.0(4) no
C(412) C(462) C(452) . 120.3(3) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
In Cl(1) . 2.4990(10) yes
In Cl(2) . 2.5150(10) yes
In Cl(3) . 2.4160(10) yes
In Cl(4) . 2.4090(10) yes
In Cl(5) . 2.4150(10) yes
C(1) N . 1.230(10) yes
C(1) C(1) 2_676 1.280(10) yes
P(11) C(111) . 1.791(3) yes
P(11) C(311) . 1.796(3) yes
P(11) C(411) . 1.799(3) yes
P(11) C(211) . 1.808(3) yes
C(111) C(121) . 1.389(4) no
C(111) C(161) . 1.399(4) no
C(121) C(131) . 1.379(4) no
C(131) C(141) . 1.377(5) no
C(141) C(151) . 1.372(5) no
C(151) C(161) . 1.376(5) no
C(211) C(261) . 1.372(4) no
C(211) C(221) . 1.388(4) no
C(221) C(231) . 1.378(5) no
C(231) C(241) . 1.361(6) no
C(241) C(251) . 1.377(6) no
C(251) C(261) . 1.394(4) no
C(311) C(321) . 1.375(4) no
C(311) C(361) . 1.384(4) no
C(321) C(331) . 1.390(4) no
C(331) C(341) . 1.366(5) no
C(341) C(351) . 1.367(5) no
C(351) C(361) . 1.374(5) no
C(411) C(421) . 1.385(4) no
C(411) C(461) . 1.394(4) no
C(421) C(431) . 1.382(4) no
C(431) C(441) . 1.368(5) no
C(441) C(451) . 1.365(5) no
C(451) C(461) . 1.375(5) no
P(22) C(112) . 1.788(3) yes
P(22) C(212) . 1.793(3) yes
P(22) C(312) . 1.797(3) yes
P(22) C(412) . 1.801(3) yes
C(112) C(162) . 1.382(4) no
C(112) C(122) . 1.391(4) no
C(122) C(132) . 1.377(4) no
C(132) C(142) . 1.368(5) no
C(142) C(152) . 1.374(5) no
C(152) C(162) . 1.378(4) no
C(212) C(262) . 1.379(4) no
C(212) C(222) . 1.396(4) no
C(222) C(232) . 1.381(5) no
C(232) C(242) . 1.368(6) no
C(242) C(252) . 1.367(5) no
C(252) C(262) . 1.377(5) no
C(312) C(362) . 1.372(4) no
C(312) C(322) . 1.395(5) no
C(322) C(332) . 1.386(5) no
C(332) C(342) . 1.363(7) no
C(342) C(352) . 1.365(6) no
C(352) C(362) . 1.392(5) no
C(412) C(462) . 1.383(4) no
C(412) C(422) . 1.387(4) no
C(422) C(432) . 1.388(5) no
C(432) C(442) . 1.353(5) no
C(442) C(452) . 1.354(5) no
C(452) C(462) . 1.391(5) no
