#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006901.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_2006901
loop_
_publ_author_name
'McWhannell, M. A.'
'Rosair, G. M.'
'Welch, A. J.'
_publ_contact_author
;
Dr G. M. Rosair
Department of Chemistry
Heriot-Watt University
Riccarton
Edinburgh EH14 4AS
;
_publ_section_title
;
1-[Chloro(diphenylphosphino)gold(I)-P]-2-phenyl-1,2-dicarba-closo-dodecaborane(12)
;
_journal_issue 1
_journal_name_full 'Acta Crystallographica Section C'
_journal_page_first 13
_journal_page_last 15
_journal_volume 54
_journal_year 1998
_chemical_formula_iupac '[Au Cl (C20 H25 B10 P)]'
_chemical_formula_sum 'C20 H25 Au B10 Cl P'
_chemical_formula_weight 636.89
_chemical_name_systematic
;
?
;
_space_group_IT_number 14
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_Hall '-P 2yn'
_symmetry_space_group_name_H-M 'P 1 21/n 1'
_audit_creation_method SHELXL
_cell_angle_alpha 90.00
_cell_angle_beta 101.462(7)
_cell_angle_gamma 90.00
_cell_formula_units_Z 4
_cell_length_a 9.6749(8)
_cell_length_b 14.531(2)
_cell_length_c 18.053(2)
_cell_measurement_reflns_used 28
_cell_measurement_temperature 293(2)
_cell_measurement_theta_max 12.35
_cell_measurement_theta_min 4.89
_cell_volume 2487.4(5)
_computing_cell_refinement XSCANS
_computing_data_collection 'XSCANS (Siemens, 1994)'
_computing_data_reduction XSCANS
_computing_molecular_graphics SHELXTL/PC
_computing_publication_material SHELXTL/PC
_computing_structure_refinement SHELXTL/PC
_computing_structure_solution 'SHELXTL/PC (Sheldrick, 1994)'
_diffrn_ambient_temperature 293(2)
_diffrn_measurement_device 'Siemens P4'
_diffrn_measurement_method '\w scans'
_diffrn_radiation_monochromator graphite
_diffrn_radiation_source 'fine-focus sealed tube'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0679
_diffrn_reflns_av_sigmaI/netI 0.0977
_diffrn_reflns_limit_h_max 11
_diffrn_reflns_limit_h_min -1
_diffrn_reflns_limit_k_max 17
_diffrn_reflns_limit_k_min -1
_diffrn_reflns_limit_l_max 21
_diffrn_reflns_limit_l_min -21
_diffrn_reflns_number 5694
_diffrn_reflns_theta_max 25.00
_diffrn_reflns_theta_min 1.81
_diffrn_standards_decay_% 5.77
_diffrn_standards_interval_count 97
_diffrn_standards_number 3
_exptl_absorpt_coefficient_mu 6.095
_exptl_absorpt_correction_T_max 0.6188
_exptl_absorpt_correction_T_min 0.1474
_exptl_absorpt_correction_type integration
_exptl_crystal_colour colourless
_exptl_crystal_density_diffrn 1.701
_exptl_crystal_density_meas 'not measured'
_exptl_crystal_description plate
_exptl_crystal_F_000 1224
_exptl_crystal_size_max 0.62
_exptl_crystal_size_mid 0.44
_exptl_crystal_size_min 0.15
_refine_diff_density_max 0.979
_refine_diff_density_min -1.756
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_all 1.050
_refine_ls_goodness_of_fit_obs 1.091
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 298
_refine_ls_number_reflns 4366
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 1.050
_refine_ls_restrained_S_obs 1.091
_refine_ls_R_factor_all 0.0993
_refine_ls_R_factor_obs 0.0510
_refine_ls_shift/esd_max -0.001
_refine_ls_shift/esd_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w=1/[\s^2^(Fo^2^)+(0.0432P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all 0.1156
_refine_ls_wR_factor_obs 0.0960
_reflns_number_observed 2887
_reflns_number_total 4366
_reflns_observed_criterion I>2sigma(I)
_[local]_cod_data_source_file ab1516.cif
_[local]_cod_data_source_block global
_[local]_cod_cif_authors_sg_H-M P21/n
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana
;
_cod_original_cell_volume 2487.4(4)
_cod_database_code 2006901
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Au1 0.0347(2) 0.0361(2) 0.0349(2) 0.0000(2) 0.00150(12) 0.0052(3)
P1 0.0300(11) 0.0365(14) 0.0289(12) 0.0025(11) 0.0054(10) -0.0005(12)
Cl1 0.051(2) 0.050(2) 0.065(2) 0.0048(14) -0.0075(15) 0.018(2)
C1 0.031(4) 0.035(6) 0.028(5) 0.004(4) 0.004(4) -0.008(4)
C2 0.025(4) 0.045(6) 0.032(5) 0.001(4) 0.007(4) 0.001(5)
B3 0.033(5) 0.023(5) 0.047(7) -0.003(5) 0.008(5) 0.003(5)
B4 0.032(5) 0.052(8) 0.030(6) -0.003(6) 0.001(5) 0.012(6)
B5 0.026(4) 0.050(7) 0.028(5) -0.003(6) 0.007(4) 0.004(6)
B6 0.033(5) 0.050(8) 0.035(6) 0.001(5) 0.011(5) -0.007(6)
B7 0.049(7) 0.035(6) 0.065(11) -0.014(6) 0.006(7) 0.009(7)
B8 0.043(6) 0.043(7) 0.072(10) 0.009(6) 0.017(7) 0.013(8)
B9 0.039(6) 0.085(12) 0.033(7) -0.005(7) 0.010(5) 0.031(8)
B10 0.041(6) 0.079(11) 0.027(6) -0.001(7) 0.013(5) 0.011(7)
B11 0.030(5) 0.060(8) 0.036(7) 0.006(6) 0.016(5) 0.006(6)
B12 0.042(6) 0.050(8) 0.041(7) -0.004(6) 0.006(6) 0.014(7)
C21 0.039(5) 0.045(7) 0.028(5) -0.018(5) -0.005(4) 0.003(5)
C22 0.058(7) 0.065(8) 0.033(6) -0.010(7) -0.006(5) -0.004(6)
C23 0.093(11) 0.080(10) 0.032(7) -0.020(10) -0.004(7) -0.010(7)
C24 0.072(9) 0.094(14) 0.046(8) -0.021(9) -0.012(7) 0.014(9)
C25 0.058(7) 0.055(8) 0.064(9) 0.004(7) -0.001(7) 0.035(8)
C26 0.039(5) 0.053(7) 0.054(7) 0.002(5) 0.003(5) 0.007(7)
C31 0.035(5) 0.041(7) 0.030(5) -0.005(4) 0.016(4) -0.005(5)
C32 0.046(6) 0.058(8) 0.039(6) 0.004(6) 0.013(5) -0.013(6)
C33 0.042(6) 0.043(7) 0.081(10) 0.002(5) 0.030(6) 0.001(7)
C34 0.069(8) 0.060(8) 0.060(8) -0.006(7) 0.042(7) -0.022(7)
C35 0.081(9) 0.043(7) 0.038(6) -0.002(7) 0.037(7) -0.001(6)
C36 0.048(6) 0.068(9) 0.034(6) -0.004(7) 0.008(5) 0.001(7)
C41 0.029(4) 0.041(6) 0.034(5) -0.003(4) 0.005(4) 0.006(5)
C42 0.035(6) 0.078(10) 0.081(11) 0.006(7) -0.001(6) -0.028(9)
C43 0.051(8) 0.096(15) 0.117(16) 0.001(9) -0.028(9) -0.034(14)
C44 0.074(10) 0.076(12) 0.074(11) -0.028(9) -0.044(9) 0.006(10)
C45 0.077(8) 0.041(7) 0.052(7) -0.010(7) 0.014(7) -0.022(6)
C46 0.045(6) 0.043(6) 0.064(8) -0.001(5) 0.000(6) 0.009(6)
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
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Au1 -0.07440(4) -0.57751(3) -0.18275(3) 0.03597(12) Uani d . 1 Au
P1 -0.2133(3) -0.4784(2) -0.25742(15) 0.0318(6) Uani d . 1 P
Cl1 0.0536(3) -0.6817(2) -0.1030(2) 0.0580(9) Uani d . 1 Cl
C1 -0.1154(10) -0.4001(7) -0.3139(6) 0.032(2) Uani d . 1 C
C2 0.0551(10) -0.3665(8) -0.2715(6) 0.034(2) Uani d . 1 C
B3 -0.0857(12) -0.2881(8) -0.2816(8) 0.034(3) Uani d . 1 B
H3 -0.1261(12) -0.2590(8) -0.2337(8) 0.041 Uiso calc R 1 H
B4 -0.1956(12) -0.3163(10) -0.3697(7) 0.039(3) Uani d . 1 B
H4 -0.3099(12) -0.3038(10) -0.3790(7) 0.046 Uiso calc R 1 H
B5 -0.1268(10) -0.4122(10) -0.4090(6) 0.034(3) Uani d . 1 B
H5 -0.1952(10) -0.4622(10) -0.4446(6) 0.041 Uiso calc R 1 H
B6 0.0271(12) -0.4473(10) -0.3443(7) 0.039(3) Uani d . 1 B
H6 0.0568(12) -0.5202(10) -0.3362(7) 0.046 Uiso calc R 1 H
B7 0.0858(15) -0.2572(10) -0.3017(9) 0.050(4) Uani d . 1 B
H7 0.1550(15) -0.2065(10) -0.2674(9) 0.060 Uiso calc R 1 H
B8 -0.0742(14) -0.2262(11) -0.3650(10) 0.052(4) Uani d . 1 B
H8 -0.1098(14) -0.1542(11) -0.3719(10) 0.062 Uiso calc R 1 H
B9 -0.0974(14) -0.3026(13) -0.4418(8) 0.052(4) Uani d . 1 B
H9 -0.1469(14) -0.2810(13) -0.4993(8) 0.062 Uiso calc R 1 H
B10 0.0427(14) -0.3823(13) -0.4245(8) 0.048(4) Uani d . 1 B
H10 0.0861(14) -0.4134(13) -0.4706(8) 0.058 Uiso calc R 1 H
B11 0.1543(12) -0.3561(11) -0.3396(7) 0.041(3) Uani d . 1 B
H11 0.2682(12) -0.3702(11) -0.3296(7) 0.049 Uiso calc R 1 H
B12 0.0743(13) -0.2661(11) -0.4001(8) 0.044(3) Uani d . 1 B
H12 0.1355(13) -0.2205(11) -0.4300(8) 0.053 Uiso calc R 1 H
C21 0.1223(11) -0.3970(8) -0.1928(6) 0.039(3) Uani d . 1 C
C22 0.0890(14) -0.3598(10) -0.1290(7) 0.054(3) Uani d . 1 C
H22 0.0149(14) -0.3180(10) -0.1340(7) 0.065 Uiso calc R 1 H
C23 0.1621(18) -0.3825(12) -0.0569(8) 0.071(4) Uani d . 1 C
H23 0.1390(18) -0.3561(12) -0.0140(8) 0.085 Uiso calc R 1 H
C24 0.2705(17) -0.4458(12) -0.0515(9) 0.074(5) Uani d . 1 C
H24 0.3221(17) -0.4609(12) -0.0039(9) 0.089 Uiso calc R 1 H
C25 0.3033(14) -0.4857(10) -0.1117(9) 0.061(4) Uani d . 1 C
H25 0.3755(14) -0.5289(10) -0.1061(9) 0.073 Uiso calc R 1 H
C26 0.2285(12) -0.4623(9) -0.1842(8) 0.049(3) Uani d . 1 C
H26 0.2505(12) -0.4908(9) -0.2265(8) 0.059 Uiso calc R 1 H
C31 -0.3098(10) -0.4032(7) -0.2048(6) 0.034(2) Uani d . 1 C
C32 -0.4110(12) -0.3391(10) -0.2374(7) 0.047(3) Uani d . 1 C
H32 -0.4295(12) -0.3299(10) -0.2894(7) 0.056 Uiso calc R 1 H
C33 -0.4829(13) -0.2900(9) -0.1930(9) 0.053(3) Uani d . 1 C
H33 -0.5534(13) -0.2493(9) -0.2149(9) 0.063 Uiso calc R 1 H
C34 -0.4516(15) -0.3005(10) -0.1162(8) 0.059(4) Uani d . 1 C
H34 -0.5017(15) -0.2661(10) -0.0870(8) 0.071 Uiso calc R 1 H
C35 -0.3500(15) -0.3594(9) -0.0807(7) 0.050(3) Uani d . 1 C
H35 -0.3284(15) -0.3643(9) -0.0283(7) 0.060 Uiso calc R 1 H
C36 -0.2799(12) -0.4118(11) -0.1261(7) 0.050(3) Uani d . 1 C
H36 -0.2114(12) -0.4536(11) -0.1035(7) 0.060 Uiso calc R 1 H
C41 -0.3388(10) -0.5368(8) -0.3305(6) 0.035(2) Uani d . 1 C
C42 -0.4812(12) -0.5170(12) -0.3496(9) 0.066(4) Uani d . 1 C
H42 -0.5194(12) -0.4717(12) -0.3233(9) 0.079 Uiso calc R 1 H
C43 -0.5657(16) -0.5634(14) -0.4068(12) 0.094(7) Uani d . 1 C
H43 -0.6613(16) -0.5491(14) -0.4186(12) 0.113 Uiso calc R 1 H
C44 -0.5146(17) -0.6306(13) -0.4474(10) 0.083(6) Uani d . 1 C
H44 -0.5731(17) -0.6606(13) -0.4873(10) 0.099 Uiso calc R 1 H
C45 -0.3756(15) -0.6519(9) -0.4274(8) 0.056(3) Uani d . 1 C
H45 -0.3387(15) -0.6974(9) -0.4541(8) 0.068 Uiso calc R 1 H
C46 -0.2891(13) -0.6086(9) -0.3698(8) 0.052(3) Uani d . 1 C
H46 -0.1954(13) -0.6269(9) -0.3560(8) 0.062 Uiso calc R 1 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P1 Au1 Cl1 175.84(12) y
C41 P1 C31 108.8(5) y
C41 P1 C1 102.8(5) y
C31 P1 C1 106.4(5) y
C41 P1 Au1 111.9(4) y
C31 P1 Au1 112.4(4) y
C1 P1 Au1 113.9(3) y
B4 C1 B5 62.6(7) ?
B4 C1 B6 113.8(9) ?
B5 C1 B6 62.3(6) ?
B4 C1 B3 62.9(7) ?
B5 C1 B3 114.2(9) ?
B6 C1 B3 113.0(8) ?
B4 C1 C2 110.3(8) ?
B5 C1 C2 109.7(7) ?
B6 C1 C2 60.3(6) ?
B3 C1 C2 60.7(6) ?
B4 C1 P1 122.5(7) y
B5 C1 P1 122.5(7) y
B6 C1 P1 116.6(7) y
B3 C1 P1 116.6(7) y
C2 C1 P1 117.4(7) y
C21 C2 B11 120.3(9) ?
C21 C2 B7 120.0(10) ?
B11 C2 B7 62.2(8) ?
C21 C2 B6 119.1(10) ?
B11 C2 B6 62.8(8) ?
B7 C2 B6 113.1(9) ?
C21 C2 C1 121.7(9) ?
B11 C2 C1 109.0(8) ?
B7 C2 C1 109.0(8) ?
B6 C2 C1 59.3(6) ?
C21 C2 B3 118.0(9) ?
B11 C2 B3 113.7(9) ?
B7 C2 B3 63.2(8) ?
B6 C2 B3 111.0(8) ?
C1 C2 B3 59.4(6) ?
C1 B3 C2 59.9(6) ?
C1 B3 B4 56.8(7) ?
C2 B3 B4 104.9(9) ?
C1 B3 B8 102.9(10) ?
C2 B3 B8 103.7(9) ?
B4 B3 B8 59.0(8) ?
C1 B3 B7 105.1(9) ?
C2 B3 B7 57.5(7) ?
B4 B3 B7 106.5(10) ?
B8 B3 B7 59.6(7) ?
C1 B4 B8 106.8(8) ?
C1 B4 B5 59.7(7) ?
B8 B4 B5 108.0(9) ?
C1 B4 B9 105.8(9) ?
B8 B4 B9 59.8(9) ?
B5 B4 B9 59.3(9) ?
C1 B4 B3 60.3(6) ?
B8 B4 B3 60.5(8) ?
B5 B4 B3 109.7(8) ?
B9 B4 B3 108.7(9) ?
C1 B5 B9 105.4(10) ?
C1 B5 B4 57.7(6) ?
B9 B5 B4 60.8(8) ?
C1 B5 B10 104.9(8) ?
B9 B5 B10 60.2(8) ?
B4 B5 B10 107.8(10) ?
C1 B5 B6 59.3(6) ?
B9 B5 B6 108.3(9) ?
B4 B5 B6 107.3(8) ?
B10 B5 B6 59.5(7) ?
C1 B6 C2 60.4(6) ?
C1 B6 B10 104.7(9) ?
C2 B6 B10 103.5(10) ?
C1 B6 B5 58.4(6) ?
C2 B6 B5 106.7(9) ?
B10 B6 B5 60.2(7) ?
C1 B6 B11 106.0(9) ?
C2 B6 B11 57.8(7) ?
B10 B6 B11 58.3(8) ?
B5 B6 B11 107.2(10) ?
C2 B7 B12 105.7(10) ?
C2 B7 B11 58.5(7) ?
B12 B7 B11 60.4(8) ?
C2 B7 B8 104.6(9) ?
B12 B7 B8 60.1(8) ?
B11 B7 B8 107.4(11) ?
C2 B7 B3 59.3(6) ?
B12 B7 B3 107.8(9) ?
B11 B7 B3 107.6(9) ?
B8 B7 B3 58.9(8) ?
B4 B8 B9 60.6(8) ?
B4 B8 B3 60.5(7) ?
B9 B8 B3 109.2(10) ?
B4 B8 B12 108.7(11) ?
B9 B8 B12 59.9(8) ?
B3 B8 B12 109.1(10) ?
B4 B8 B7 109.3(10) ?
B9 B8 B7 107.7(10) ?
B3 B8 B7 61.5(8) ?
B12 B8 B7 59.2(8) ?
B5 B9 B8 108.3(9) ?
B5 B9 B10 60.7(8) ?
B8 B9 B10 107.6(10) ?
B5 B9 B12 109.5(9) ?
B8 B9 B12 60.7(8) ?
B10 B9 B12 59.7(8) ?
B5 B9 B4 60.0(7) ?
B8 B9 B4 59.5(8) ?
B10 B9 B4 107.6(10) ?
B12 B9 B4 108.5(10) ?
B11 B10 B12 61.3(8) ?
B11 B10 B6 62.0(7) ?
B12 B10 B6 110.4(10) ?
B11 B10 B9 109.5(12) ?
B12 B10 B9 60.2(9) ?
B6 B10 B9 108.0(9) ?
B11 B10 B5 110.3(9) ?
B12 B10 B5 108.5(11) ?
B6 B10 B5 60.3(7) ?
B9 B10 B5 59.1(8) ?
C2 B11 B10 106.0(9) ?
C2 B11 B7 59.2(7) ?
B10 B11 B7 107.7(10) ?
C2 B11 B12 105.5(9) ?
B10 B11 B12 60.0(9) ?
B7 B11 B12 59.4(8) ?
C2 B11 B6 59.5(7) ?
B10 B11 B6 59.8(8) ?
B7 B11 B6 108.0(8) ?
B12 B11 B6 107.6(9) ?
B10 B12 B7 107.3(10) ?
B10 B12 B9 60.1(9) ?
B7 B12 B9 108.5(10) ?
B10 B12 B8 106.9(10) ?
B7 B12 B8 60.7(9) ?
B9 B12 B8 59.4(9) ?
B10 B12 B11 58.7(8) ?
B7 B12 B11 60.2(8) ?
B9 B12 B11 107.4(10) ?
B8 B12 B11 107.8(10) ?
C22 C21 C26 118.0(12) ?
C22 C21 C2 123.2(11) ?
C26 C21 C2 118.7(11) ?
C21 C22 C23 122.2(15) ?
C24 C23 C22 117.4(15) ?
C25 C24 C23 122.3(14) ?
C24 C25 C26 119.7(14) ?
C21 C26 C25 120.3(14) ?
C32 C31 C36 118.4(10) ?
C32 C31 P1 124.7(8) ?
C36 C31 P1 116.9(9) ?
C33 C32 C31 119.9(12) ?
C32 C33 C34 120.1(13) ?
C35 C34 C33 122.7(12) ?
C34 C35 C36 117.2(12) ?
C35 C36 C31 121.5(12) ?
C42 C41 C46 117.0(12) ?
C42 C41 P1 124.9(11) ?
C46 C41 P1 118.0(8) ?
C43 C42 C41 120.3(15) ?
C42 C43 C44 122.1(14) ?
C45 C44 C43 117.6(14) ?
C46 C45 C44 121.8(15) ?
C45 C46 C41 120.9(12) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 P1 2.232(3) y
Au1 Cl1 2.279(3) y
P1 C41 1.816(11) y
P1 C31 1.822(10) y
P1 C1 1.902(11) y
C1 B4 1.670(15) y
C1 B5 1.707(14) y
C1 B6 1.724(14) y
C1 B3 1.734(15) y
C1 C2 1.744(13) y
C2 C21 1.506(14) y
C2 B11 1.71(2) y
C2 B7 1.72(2) y
C2 B6 1.74(2) y
C2 B3 1.76(2) y
B3 B4 1.78(2) y
B3 B8 1.78(2) y
B3 B7 1.82(2) y
B4 B8 1.75(2) y
B4 B5 1.75(2) y
B4 B9 1.77(2) y
B5 B9 1.74(2) y
B5 B10 1.77(2) y
B5 B6 1.77(2) y
B6 B10 1.76(2) y
B6 B11 1.80(2) y
B7 B12 1.76(2) y
B7 B11 1.78(2) y
B7 B8 1.79(2) y
B8 B9 1.76(2) y
B8 B12 1.78(2) y
B9 B10 1.76(2) y
B9 B12 1.76(2) y
B10 B11 1.73(2) y
B10 B12 1.76(2) y
B11 B12 1.78(2) y
C21 C22 1.37(2) ?
C21 C26 1.38(2) ?
C22 C23 1.39(2) ?
C23 C24 1.38(2) ?
C24 C25 1.33(2) ?
C25 C26 1.40(2) ?
C31 C32 1.39(2) ?
C31 C36 1.399(15) ?
C32 C33 1.36(2) ?
C33 C34 1.37(2) ?
C34 C35 1.36(2) ?
C35 C36 1.39(2) ?
C41 C42 1.38(2) ?
C41 C46 1.40(2) ?
C42 C43 1.36(2) ?
C43 C44 1.37(3) ?
C44 C45 1.36(2) ?
C45 C46 1.35(2) ?