#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/77/7027732.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_7027732
loop_
_publ_author_name
'Coto, Alberto'
'de los Ríos, Isaac'
'Tenorio, Manuel Jiménez'
'Puerta, M. Carmen'
'Valerga, Pedro'
_publ_section_title
;
 S--H Bond cleavage versus thiol co-ordination in half-sandwich ruthenium
 complexes †
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4309
_journal_paper_doi               10.1039/a906110j
_journal_year                    1999
_chemical_formula_sum            'C49 H62 B P2 Ru S'
_chemical_formula_weight         856.92
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Feb  5 11:05:51 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                96.97(2)
_cell_angle_beta                 103.869(10)
_cell_angle_gamma                101.16(2)
_cell_formula_units_Z            2
_cell_length_a                   13.277(4)
_cell_length_b                   13.610(3)
_cell_length_c                   13.053(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    290.2
_cell_measurement_theta_max      117.6
_cell_measurement_theta_min      105.2
_cell_volume                     2211.5(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      290.2
_diffrn_measurement_device       AFC6S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.03939
_diffrn_orient_matrix_UB_12      -0.00520
_diffrn_orient_matrix_UB_13      -0.05608
_diffrn_orient_matrix_UB_21      -0.02662
_diffrn_orient_matrix_UB_22      -0.07562
_diffrn_orient_matrix_UB_23      -0.01503
_diffrn_orient_matrix_UB_31      -0.06402
_diffrn_orient_matrix_UB_32      0.00638
_diffrn_orient_matrix_UB_33      -0.05530
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           CuKalpha
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  23.19
_diffrn_reflns_number            6885
_diffrn_reflns_theta_max         60.09
_diffrn_standards_decay_%        0.57
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.288
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.867
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       irregular
_exptl_crystal_F_000             902.00
_exptl_crystal_size_max          0.570
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.160
_refine_diff_density_max         -1.45
_refine_diff_density_min         1.76
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   3.361
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         4046
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0584
_refine_ls_shift/esd_max         0.1827
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0744
_reflns_number_observed          4046
_reflns_number_total             6885
_reflns_observed_criterion       3.00
_cod_data_source_file            906110Jsup1.cif
_cod_data_source_block           '[Ru(Cp)(dippe)(SPh)][BPh4]'
_cod_original_cell_volume        2211(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C49 H62 B P2 S Ru '
_cod_database_code               7027732
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
Ru(1) 0.32509(4) 0.12166(4) 0.14128(4) 0.0408(2) Uij
S(1) 0.1926(2) -0.0032(2) 0.0277(2) 0.0628(6) Uij
P(1) 0.2203(1) 0.1589(1) 0.2549(2) 0.0461(6) Uij
P(2) 0.2430(1) 0.2317(1) 0.0463(2) 0.0467(6) Uij
C(1) 0.4757(7) 0.1548(8) 0.2764(7) 0.067(3) Uij
C(2) 0.4933(6) 0.2152(7) 0.2022(7) 0.063(3) Uij
C(3) 0.4839(6) 0.1518(7) 0.1040(6) 0.062(3) Uij
C(4) 0.4607(6) 0.0531(8) 0.1218(8) 0.074(3) Uij
C(5) 0.4567(7) 0.0532(9) 0.2293(9) 0.083(4) Uij
C(6) 0.2320(6) -0.1197(6) 0.0026(6) 0.055(2) Uij
C(7) 0.2713(9) -0.1712(7) 0.0819(7) 0.081(3) Uij
C(8) 0.2971(9) -0.2631(8) 0.0570(9) 0.090(4) Uij
C(9) 0.2844(8) -0.3037(7) -0.0479(10) 0.080(3) Uij
C(10) 0.2440(7) -0.2528(8) -0.1279(7) 0.076(3) Uij
C(11) 0.2177(6) -0.1624(6) -0.1028(6) 0.057(3) Uij
C(12) 0.1186(7) 0.2200(8) 0.1889(8) 0.076(3) Uij
C(13) 0.1508(6) 0.0502(6) 0.3038(6) 0.059(3) Uij
C(14) 0.0635(7) -0.0262(7) 0.2192(8) 0.083(3) Uij
C(15) 0.2313(7) -0.0005(7) 0.3654(8) 0.079(3) Uij
C(16) 0.2889(7) 0.2488(6) 0.3848(7) 0.066(3) Uij
C(17) 0.3475(7) 0.3490(7) 0.3722(7) 0.076(3) Uij
C(18) 0.2147(9) 0.2623(8) 0.4554(8) 0.103(4) Uij
C(19) 0.2061(7) 0.1964(6) -0.1026(6) 0.062(3) Uij
C(20) 0.1524(8) 0.2703(8) -0.1614(7) 0.088(3) Uij
C(21) 0.1115(6) 0.2216(7) 0.0725(6) 0.062(3) Uij
C(22) 0.2943(9) 0.1712(8) -0.1458(7) 0.086(3) Uij
C(23) 0.3125(7) 0.3670(6) 0.0880(6) 0.065(3) Uij
C(24) 0.4039(7) 0.3952(7) 0.0363(8) 0.084(3) Uij
C(25) 0.2420(9) 0.4415(7) 0.0773(9) 0.093(4) Uij
C(30) 0.8184(5) 0.2423(5) 0.5029(5) 0.044(2) Uij
C(31) 0.7637(6) 0.1721(6) 0.4083(6) 0.057(3) Uij
C(32) 0.8028(9) 0.0944(7) 0.3679(7) 0.075(3) Uij
C(33) 0.9029(9) 0.0813(8) 0.4195(9) 0.083(4) Uij
C(34) 0.9611(7) 0.1518(8) 0.5107(9) 0.075(3) Uij
C(35) 0.9195(6) 0.2284(6) 0.5505(6) 0.059(3) Uij
C(41) 0.7302(6) 0.3953(5) 0.4563(5) 0.045(2) Uij
C(42) 0.6331(6) 0.4243(5) 0.4281(6) 0.047(2) Uij
C(43) 0.6083(6) 0.4802(6) 0.3496(6) 0.057(3) Uij
C(44) 0.6804(7) 0.5146(6) 0.2950(6) 0.062(3) Uij
C(45) 0.7785(7) 0.4891(7) 0.3200(7) 0.065(3) Uij
C(46) 0.8018(6) 0.4319(6) 0.3970(7) 0.062(3) Uij
C(50) 0.8498(6) 0.4016(6) 0.6568(6) 0.053(3) Uij
C(51) 0.9080(6) 0.4988(6) 0.6611(6) 0.060(3) Uij
C(52) 0.9839(7) 0.5565(7) 0.7525(9) 0.078(3) Uij
C(53) 1.0032(8) 0.517(1) 0.8443(9) 0.091(4) Uij
C(54) 0.9469(8) 0.421(1) 0.8459(7) 0.091(4) Uij
C(55) 0.8719(7) 0.3645(7) 0.7543(6) 0.066(3) Uij
C(61) 0.6565(5) 0.2765(6) 0.5867(5) 0.046(2) Uij
C(62) 0.6050(6) 0.1748(6) 0.5583(6) 0.049(2) Uij
C(63) 0.5132(7) 0.1364(7) 0.5885(7) 0.066(3) Uij
C(64) 0.4714(7) 0.1973(8) 0.6489(8) 0.072(3) Uij
C(65) 0.5208(7) 0.2969(8) 0.6790(7) 0.073(3) Uij
C(66) 0.6117(6) 0.3349(6) 0.6479(7) 0.059(3) Uij
B(1) 0.7644(7) 0.3300(7) 0.5500(7) 0.047(3) Uij
H(1) 0.4764 0.1767 0.3483 0.0788 Uij
H(2) 0.5083 0.2882 0.2136 0.0744 Uij
H(3) 0.4936 0.1748 0.0408 0.0744 Uij
H(4) 0.4526 -0.0069 0.0688 0.0848 Uij
H(5) 0.4420 -0.0057 0.2588 0.0952 Uij
H(6) 0.2811 -0.1428 0.1550 0.0977 Uij
H(7) 0.3233 -0.2977 0.1128 0.1060 Uij
H(8) 0.3034 -0.3664 -0.0650 0.0959 Uij
H(9) 0.2344 -0.2804 -0.2005 0.0906 Uij
H(10) 0.1892 -0.1282 -0.1587 0.0679 Uij
H(11) 0.0513 0.1856 0.1945 0.0895 Uij
H(12) 0.1343 0.2890 0.2251 0.0895 Uij
H(13) 0.1175 0.0785 0.3538 0.0702 Uij
H(14) 0.0141 0.0077 0.1811 0.0992 Uij
H(15) 0.0941 -0.0597 0.1701 0.0992 Uij
H(16) 0.0273 -0.0750 0.2520 0.0992 Uij
H(17) 0.1966 -0.0497 0.3991 0.0957 Uij
H(18) 0.2630 -0.0335 0.3171 0.0957 Uij
H(19) 0.2850 0.0488 0.4181 0.0957 Uij
H(20) 0.3415 0.2177 0.4230 0.0776 Uij
H(21) 0.3884 0.3870 0.4401 0.0915 Uij
H(22) 0.3935 0.3393 0.3279 0.0915 Uij
H(23) 0.2978 0.3854 0.3392 0.0915 Uij
H(24) 0.2559 0.2985 0.5243 0.1235 Uij
H(25) 0.1647 0.2969 0.4239 0.1235 Uij
H(26) 0.1792 0.1961 0.4631 0.1235 Uij
H(27) 0.1532 0.1343 -0.1195 0.0733 Uij
H(28) 0.2032 0.3327 -0.1534 0.1061 Uij
H(29) 0.1236 0.2424 -0.2352 0.1061 Uij
H(30) 0.0965 0.2839 -0.1315 0.1061 Uij
H(31) 0.0842 0.2780 0.0524 0.0735 Uij
H(32) 0.0645 0.1603 0.0312 0.0735 Uij
H(33) 0.3253 0.1248 -0.1070 0.1014 Uij
H(34) 0.2669 0.1413 -0.2194 0.1014 Uij
H(35) 0.3471 0.2317 -0.1383 0.1014 Uij
H(36) 0.3455 0.3753 0.1625 0.0763 Uij
H(37) 0.4467 0.3466 0.0441 0.0986 Uij
H(38) 0.3756 0.3957 -0.0375 0.0986 Uij
H(39) 0.4464 0.4608 0.0709 0.0986 Uij
H(40) 0.2827 0.5077 0.1117 0.1103 Uij
H(41) 0.2120 0.4419 0.0036 0.1103 Uij
H(42) 0.1861 0.4220 0.1101 0.1103 Uij
H(43) 0.6955 0.1788 0.3702 0.0686 Uij
H(44) 0.7614 0.0495 0.3040 0.0882 Uij
H(45) 0.9302 0.0271 0.3934 0.0999 Uij
H(46) 1.0307 0.1463 0.5465 0.0899 Uij
H(47) 0.9617 0.2740 0.6137 0.0701 Uij
H(48) 0.5817 0.4043 0.4655 0.0562 Uij
H(49) 0.5401 0.4956 0.3325 0.0691 Uij
H(50) 0.6636 0.5550 0.2417 0.0742 Uij
H(51) 0.8295 0.5112 0.2825 0.0780 Uij
H(52) 0.8697 0.4155 0.4118 0.0735 Uij
H(53) 0.8953 0.5284 0.5985 0.0703 Uij
H(54) 1.0223 0.6218 0.7506 0.0932 Uij
H(55) 1.0552 0.5558 0.9069 0.1063 Uij
H(56) 0.9596 0.3936 0.9103 0.1096 Uij
H(57) 0.8342 0.2981 0.7572 0.0793 Uij
H(58) 0.6327 0.1297 0.5169 0.0586 Uij
H(59) 0.4793 0.0660 0.5665 0.0779 Uij
H(60) 0.4092 0.1707 0.6694 0.0852 Uij
H(61) 0.4931 0.3412 0.7215 0.0870 Uij
H(62) 0.6449 0.4055 0.6705 0.0717 Uij
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru 0 2 -0.105 3.296 'International Tables'
C 0 98 0.017 0.009 'International Tables'
H 0 124 0.000 0.000 'International Tables'
P 0 4 0.283 0.434 'International Tables'
B 0 2 0.008 0.004 'International Tables'
S 0 2 0.319 0.557 'International Tables'
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
S(1) Ru(1) P(1) 93.99(8) yes
S(1) Ru(1) P(2) 84.92(7) yes
S(1) Ru(1) C(1) 144.9(3) yes
S(1) Ru(1) C(2) 153.9(2) yes
S(1) Ru(1) C(3) 117.2(2) yes
S(1) Ru(1) C(4) 97.0(3) yes
S(1) Ru(1) C(5) 110.0(3) yes
P(1) Ru(1) P(2) 82.31(7) yes
P(1) Ru(1) C(1) 93.5(2) yes
P(1) Ru(1) C(2) 112.0(2) yes
P(1) Ru(1) C(3) 148.8(2) yes
P(1) Ru(1) C(4) 145.9(2) yes
P(1) Ru(1) C(5) 109.3(3) yes
P(2) Ru(1) C(1) 130.1(3) yes
P(2) Ru(1) C(2) 100.8(2) yes
P(2) Ru(1) C(3) 100.5(2) yes
P(2) Ru(1) C(4) 130.7(3) yes
P(2) Ru(1) C(5) 159.7(2) yes
C(1) Ru(1) C(2) 35.6(3) yes
C(1) Ru(1) C(3) 60.7(3) yes
C(1) Ru(1) C(4) 60.1(3) yes
C(1) Ru(1) C(5) 35.8(3) yes
C(2) Ru(1) C(3) 36.8(3) yes
C(2) Ru(1) C(4) 59.9(3) yes
C(2) Ru(1) C(5) 59.8(3) yes
C(3) Ru(1) C(4) 35.8(3) yes
C(3) Ru(1) C(5) 60.8(3) yes
C(4) Ru(1) C(5) 36.6(3) yes
Ru(1) S(1) C(6) 113.1(3) yes
Ru(1) P(1) C(12) 110.3(3) yes
Ru(1) P(1) C(13) 116.7(3) yes
Ru(1) P(1) C(16) 117.5(3) yes
C(12) P(1) C(13) 106.8(4) yes
C(12) P(1) C(16) 103.6(4) yes
C(13) P(1) C(16) 100.6(4) yes
Ru(1) P(2) C(19) 115.9(3) yes
Ru(1) P(2) C(21) 106.9(3) yes
Ru(1) P(2) C(23) 114.8(3) yes
C(19) P(2) C(21) 101.8(4) yes
C(19) P(2) C(23) 110.0(4) yes
C(21) P(2) C(23) 106.2(4) yes
Ru(1) C(1) C(2) 71.9(5) yes
Ru(1) C(1) C(5) 72.8(5) yes
C(2) C(1) C(5) 108.9(8) yes
Ru(1) C(2) C(1) 72.5(5) yes
Ru(1) C(2) C(3) 71.7(4) yes
C(1) C(2) C(3) 108.9(8) yes
Ru(1) C(3) C(2) 71.5(4) yes
Ru(1) C(3) C(4) 71.5(4) yes
C(2) C(3) C(4) 106.1(7) yes
Ru(1) C(4) C(3) 72.7(5) yes
Ru(1) C(4) C(5) 73.2(5) yes
C(3) C(4) C(5) 109.8(9) yes
Ru(1) C(5) C(1) 71.4(5) yes
Ru(1) C(5) C(4) 70.2(5) yes
C(1) C(5) C(4) 106.3(8) yes
S(1) C(6) C(7) 123.7(6) yes
S(1) C(6) C(11) 117.7(6) yes
C(7) C(6) C(11) 118.6(8) yes
C(6) C(7) C(8) 120.9(8) yes
C(7) C(8) C(9) 119.9(9) yes
C(8) C(9) C(10) 119.4(9) yes
C(9) C(10) C(11) 120.4(8) yes
C(6) C(11) C(10) 120.8(8) yes
P(1) C(12) C(21) 114.1(6) yes
P(1) C(13) C(14) 115.4(6) yes
P(1) C(13) C(15) 109.7(5) yes
C(14) C(13) C(15) 111.4(8) yes
P(1) C(16) C(17) 114.1(6) yes
P(1) C(16) C(18) 113.0(6) yes
C(17) C(16) C(18) 110.6(7) yes
P(2) C(19) C(20) 114.1(6) yes
P(2) C(19) C(22) 113.9(6) yes
C(20) C(19) C(22) 112.4(7) yes
P(2) C(21) C(12) 111.4(5) yes
P(2) C(23) C(24) 112.4(6) yes
P(2) C(23) C(25) 115.6(6) yes
C(24) C(23) C(25) 111.4(7) yes
C(31) C(30) C(35) 113.7(7) yes
C(31) C(30) B(1) 121.4(6) yes
C(35) C(30) B(1) 124.9(7) yes
C(30) C(31) C(32) 123.9(8) yes
C(31) C(32) C(33) 120.6(9) yes
C(32) C(33) C(34) 117.1(8) yes
C(33) C(34) C(35) 121.2(9) yes
C(30) C(35) C(34) 123.4(8) yes
C(42) C(41) C(46) 113.4(7) yes
C(42) C(41) B(1) 125.5(6) yes
C(46) C(41) B(1) 121.1(7) yes
C(41) C(42) C(43) 123.5(7) yes
C(42) C(43) C(44) 121.0(7) yes
C(43) C(44) C(45) 118.2(7) yes
C(44) C(45) C(46) 120.4(7) yes
C(41) C(46) C(45) 123.5(8) yes
C(51) C(50) C(55) 114.4(7) yes
C(51) C(50) B(1) 125.3(7) yes
C(55) C(50) B(1) 120.3(7) yes
C(50) C(51) C(52) 123.9(8) yes
C(51) C(52) C(53) 119.4(9) yes
C(52) C(53) C(54) 119.7(9) yes
C(53) C(54) C(55) 120.1(9) yes
C(50) C(55) C(54) 122.5(9) yes
C(62) C(61) C(66) 114.7(7) yes
C(62) C(61) B(1) 125.0(7) yes
C(66) C(61) B(1) 120.3(7) yes
C(61) C(62) C(63) 121.8(7) yes
C(62) C(63) C(64) 121.3(8) yes
C(63) C(64) C(65) 118.3(8) yes
C(64) C(65) C(66) 120.2(8) yes
C(61) C(66) C(65) 123.7(8) yes
C(30) B(1) C(41) 108.2(6) yes
C(30) B(1) C(50) 109.2(6) yes
C(30) B(1) C(61) 110.4(6) yes
C(41) B(1) C(50) 111.8(6) yes
C(41) B(1) C(61) 109.9(6) yes
C(50) B(1) C(61) 107.4(6) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ru(1) S(1) 2.272(2) yes
Ru(1) P(1) 2.339(2) yes
Ru(1) P(2) 2.324(2) yes
Ru(1) C(1) 2.254(8) yes
Ru(1) C(2) 2.246(7) yes
Ru(1) C(3) 2.249(7) yes
Ru(1) C(4) 2.234(9) yes
Ru(1) C(5) 2.273(8) yes
S(1) C(6) 1.781(8) yes
P(1) C(12) 1.819(9) yes
P(1) C(13) 1.852(7) yes
P(1) C(16) 1.878(8) yes
P(2) C(19) 1.865(8) yes
P(2) C(21) 1.840(8) yes
P(2) C(23) 1.843(8) yes
C(1) C(2) 1.38(1) yes
C(1) C(5) 1.39(1) yes
C(2) C(3) 1.42(1) yes
C(3) C(4) 1.38(1) yes
C(4) C(5) 1.42(1) yes
C(6) C(7) 1.38(1) yes
C(6) C(11) 1.38(1) yes
C(7) C(8) 1.38(1) yes
C(8) C(9) 1.37(1) yes
C(9) C(10) 1.38(1) yes
C(10) C(11) 1.37(1) yes
C(12) C(21) 1.50(1) yes
C(13) C(14) 1.51(1) yes
C(13) C(15) 1.51(1) yes
C(16) C(17) 1.48(1) yes
C(16) C(18) 1.52(1) yes
C(19) C(20) 1.52(1) yes
C(19) C(22) 1.49(1) yes
C(23) C(24) 1.53(1) yes
C(23) C(25) 1.51(1) yes
C(30) C(31) 1.41(1) yes
C(30) C(35) 1.40(1) yes
C(30) B(1) 1.64(1) yes
C(31) C(32) 1.37(1) yes
C(32) C(33) 1.39(1) yes
C(33) C(34) 1.39(1) yes
C(34) C(35) 1.38(1) yes
C(41) C(42) 1.401(10) yes
C(41) C(46) 1.42(1) yes
C(41) B(1) 1.63(1) yes
C(42) C(43) 1.36(1) yes
C(43) C(44) 1.37(1) yes
C(44) C(45) 1.39(1) yes
C(45) C(46) 1.36(1) yes
C(50) C(51) 1.38(1) yes
C(50) C(55) 1.41(1) yes
C(50) B(1) 1.63(1) yes
C(51) C(52) 1.39(1) yes
C(52) C(53) 1.36(1) yes
C(53) C(54) 1.38(2) yes
C(54) C(55) 1.38(1) yes
C(61) C(62) 1.382(10) yes
C(61) C(66) 1.37(1) yes
C(61) B(1) 1.68(1) yes
C(62) C(63) 1.40(1) yes
C(63) C(64) 1.36(1) yes
C(64) C(65) 1.35(1) yes
C(65) C(66) 1.39(1) yes
