#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:41:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179342 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/39/4323972.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_4323972
loop_
_publ_author_name
'Igor V. Kourkine'
'Stanislav V. Maslennikov'
'Robert Ditchfield'
'David S. Glueck'
'Glenn P. A. Yap'
'Louise M. Liable-Sands'
'Arnold L. Rheingold'
_publ_section_title
;
 Metal Complexes of Mesitylphosphine: Synthesis, Structure, and
 Spectroscopy
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6708
_journal_page_last               6716
_journal_paper_doi               10.1021/ic960529q
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C50 H52 Ni P4'
_chemical_formula_weight         835.51
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                102.315(7)
_cell_angle_beta                 90.921(9)
_cell_angle_gamma                114.15(1)
_cell_formula_units_Z            2
_cell_length_a                   9.587(1)
_cell_length_b                   11.528(1)
_cell_length_c                   22.194(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      7.5
_cell_volume                     2171.9(4)
_computing_cell_refinement       XSCANS
_computing_data_collection       XSCANS
_computing_data_reduction        XPREP
_computing_molecular_graphics    XP
_computing_publication_material  XCIF
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       omega
_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  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6824
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.35
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.628
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_description       block
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.334
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.0023(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.204
_refine_ls_goodness_of_fit_obs   1.318
_refine_ls_hydrogen_treatment    'idealized contribution'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5596
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.211
_refine_ls_restrained_S_obs      1.318
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_obs          0.0414
_refine_ls_shift/esd_max         -0.006
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1121
_refine_ls_wR_factor_obs         0.1075
_reflns_number_observed          4416
_reflns_number_total             5611
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic960529q_4.cif
_cod_data_source_block           glu18
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2172.0(4)
_cod_database_code               4323972
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_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_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ni Ni -0.06422(5) 0.15280(4) 0.23546(2) 0.0348(2) Uani 1 d . .
P1 P 0.15821(11) 0.31808(9) 0.24607(4) 0.0370(3) Uani 1 d . .
P2 P -0.08098(11) 0.09777(9) 0.13650(4) 0.0361(2) Uani 1 d . .
P3 P 0.02070(11) 0.02179(9) 0.26043(4) 0.0380(3) Uani 1 d . .
P4 P -0.26461(12) 0.15796(11) 0.27525(4) 0.0490(3) Uani 1 d D .
H1 H -0.4109(24) 0.0571(25) 0.2506(15) 0.059 Uiso 1 d D .
H2 H -0.3190(39) 0.2515(27) 0.2683(16) 0.059 Uiso 1 d D .
C1 C 0.2943(4) 0.2501(3) 0.2118(2) 0.0407(9) Uani 1 d . .
H1A H 0.3610(4) 0.3103(3) 0.1891(2) 0.049 Uiso 1 calc R .
H1B H 0.3588(4) 0.2497(3) 0.2458(2) 0.049 Uiso 1 calc R .
C2 C 0.1062(4) 0.0962(3) 0.1152(2) 0.0398(9) Uiso 1 d . .
H2A H 0.0836(4) 0.0142(3) 0.0852(2) 0.048 Uiso 1 calc R .
H2B H 0.1551(4) 0.1660(3) 0.0942(2) 0.048 Uiso 1 calc R .
C4 C 0.2252(4) 0.1117(3) 0.1681(2) 0.0377(8) Uani 1 d . .
C5 C 0.3582(4) 0.0918(4) 0.1366(2) 0.0538(11) Uani 1 d . .
H5A H 0.4030(4) 0.1566(4) 0.1132(2) 0.081 Uiso 1 calc R .
H5B H 0.3196(4) 0.0060(4) 0.1092(2) 0.081 Uiso 1 calc R .
H5C H 0.4349(4) 0.1005(4) 0.1677(2) 0.081 Uiso 1 calc R .
C3 C 0.1589(4) 0.0050(3) 0.2047(2) 0.0420(9) Uani 1 d . .
H3A H 0.2443(4) 0.0028(3) 0.2277(2) 0.050 Uiso 1 calc R .
H3B H 0.1077(4) -0.0789(3) 0.1750(2) 0.050 Uiso 1 calc R .
C11 C 0.1908(2) 0.3800(2) 0.37529(10) 0.0469(10) Uani 1 d G .
H11A H 0.0903(2) 0.3160(2) 0.37041(10) 0.056 Uiso 1 calc R .
C12 C 0.2681(3) 0.4455(3) 0.43446(8) 0.0628(13) Uani 1 d G .
H12A H 0.2194(5) 0.4253(4) 0.46917(10) 0.075 Uiso 1 calc R .
C13 C 0.4183(3) 0.5412(3) 0.44176(9) 0.0737(14) Uani 1 d G .
H13A H 0.4700(5) 0.5850(4) 0.48135(10) 0.088 Uiso 1 calc R .
C14 C 0.4911(3) 0.5714(3) 0.38988(13) 0.0725(14) Uani 1 d G .
H14A H 0.5915(3) 0.6354(3) 0.3948(2) 0.087 Uiso 1 calc R .
C15 C 0.4138(3) 0.5059(3) 0.33071(10) 0.0604(12) Uani 1 d G .
H15A H 0.4625(4) 0.5261(4) 0.29600(13) 0.072 Uiso 1 calc R .
C16 C 0.2636(3) 0.4102(2) 0.32341(8) 0.0415(9) Uani 1 d G .
C21 C 0.1872(4) 0.5687(3) 0.24275(11) 0.0757(14) Uani 1 d G .
H21A H 0.1557(4) 0.5707(3) 0.28224(11) 0.091 Uiso 1 calc R .
C22 C 0.2187(4) 0.6755(2) 0.2171(2) 0.097(2) Uani 1 d G .
H22A H 0.2084(6) 0.7490(3) 0.2394(2) 0.116 Uiso 1 calc R .
C23 C 0.2657(4) 0.6725(3) 0.1581(2) 0.084(2) Uani 1 d G .
H23A H 0.2868(6) 0.7440(3) 0.1409(2) 0.101 Uiso 1 calc R .
C24 C 0.2812(4) 0.5626(3) 0.12473(11) 0.0721(14) Uani 1 d G .
H24A H 0.3126(5) 0.5606(4) 0.08524(13) 0.086 Uiso 1 calc R .
C25 C 0.2496(3) 0.4558(2) 0.15037(10) 0.0534(11) Uani 1 d G .
H25A H 0.2600(5) 0.3822(3) 0.12804(15) 0.064 Uiso 1 calc R .
C26 C 0.2026(3) 0.4588(2) 0.20938(11) 0.0444(9) Uani 1 d G .
C31 C -0.1447(3) 0.3085(2) 0.12558(8) 0.0507(10) Uani 1 d G .
H31A H -0.1620(3) 0.3139(2) 0.16699(8) 0.061 Uiso 1 calc R .
C32 C -0.1617(3) 0.3963(2) 0.09514(12) 0.0590(11) Uani 1 d G .
H32A H -0.1905(5) 0.4605(3) 0.1162(2) 0.071 Uiso 1 calc R .
C33 C -0.1359(3) 0.3882(2) 0.03324(12) 0.0598(12) Uani 1 d G .
H33A H -0.1473(5) 0.4470(3) 0.0129(2) 0.072 Uiso 1 calc R .
C34 C -0.0930(3) 0.2923(3) 0.00180(8) 0.0583(12) Uani 1 d G .
H34A H -0.0757(5) 0.2868(4) -0.03961(9) 0.070 Uiso 1 calc R .
C35 C -0.0759(3) 0.2044(2) 0.03224(10) 0.0492(10) Uani 1 d G .
H35A H -0.0472(4) 0.1403(3) 0.01120(13) 0.059 Uiso 1 calc R .
C36 C -0.1018(3) 0.2126(2) 0.09413(9) 0.0393(9) Uani 1 d G .
C41 C -0.3615(3) -0.0602(2) 0.06220(13) 0.0578(11) Uani 1 d G .
H41A H -0.3790(3) 0.0149(2) 0.07240(13) 0.069 Uiso 1 calc R .
C42 C -0.4727(2) -0.1747(3) 0.02434(13) 0.0721(14) Uani 1 d G .
H42A H -0.5646(3) -0.1763(4) 0.0092(2) 0.087 Uiso 1 calc R .
C43 C -0.4464(3) -0.2869(2) 0.00910(12) 0.0740(15) Uani 1 d G .
H43A H -0.5208(4) -0.3635(3) -0.0162(2) 0.089 Uiso 1 calc R .
C44 C -0.3090(4) -0.2846(2) 0.03171(13) 0.0695(13) Uani 1 d G .
H44A H -0.2915(5) -0.3596(2) 0.0215(2) 0.083 Uiso 1 calc R .
C45 C -0.1978(3) -0.1700(3) 0.06958(12) 0.0554(11) Uani 1 d G .
H45A H -0.1059(3) -0.1684(4) 0.0847(2) 0.066 Uiso 1 calc R .
C46 C -0.2240(2) -0.0578(2) 0.08482(10) 0.0408(9) Uani 1 d G .
C51 C -0.2355(3) -0.2142(3) 0.21424(12) 0.0566(11) Uani 1 d G .
H51A H -0.2666(3) -0.1654(3) 0.19334(12) 0.068 Uiso 1 calc R .
C52 C -0.3236(3) -0.3483(3) 0.20457(14) 0.0771(15) Uani 1 d G .
H52A H -0.4137(4) -0.3891(4) 0.1772(2) 0.092 Uiso 1 calc R .
C53 C -0.2771(4) -0.4212(2) 0.2358(2) 0.085(2) Uani 1 d G .
H53A H -0.3361(5) -0.5109(2) 0.2293(2) 0.102 Uiso 1 calc R .
C54 C -0.1425(4) -0.3601(3) 0.2767(2) 0.096(2) Uani 1 d G .
H54A H -0.1114(5) -0.4089(4) 0.2976(2) 0.115 Uiso 1 calc R .
C55 C -0.0544(3) -0.2261(3) 0.28638(14) 0.0748(14) Uani 1 d G .
H55A H 0.0357(4) -0.1852(4) 0.3137(2) 0.090 Uiso 1 calc R .
C56 C -0.1009(3) -0.1531(2) 0.25514(12) 0.0467(10) Uani 1 d G .
C61 C 0.0352(2) 0.0653(3) 0.38688(10) 0.0507(10) Uani 1 d G .
H61A H -0.0705(2) 0.0361(3) 0.37828(10) 0.061 Uiso 1 calc R .
C62 C 0.1025(3) 0.1067(3) 0.44808(9) 0.0573(11) Uani 1 d G .
H62A H 0.0418(4) 0.1052(4) 0.48042(11) 0.069 Uiso 1 calc R .
C63 C 0.2606(3) 0.1504(2) 0.46094(8) 0.0581(12) Uani 1 d G .
H63A H 0.3056(4) 0.1781(4) 0.50189(9) 0.070 Uiso 1 calc R .
C64 C 0.3514(2) 0.1527(3) 0.41261(11) 0.0575(11) Uani 1 d G .
H64A H 0.4571(2) 0.1819(4) 0.4212(2) 0.069 Uiso 1 calc R .
C65 C 0.2841(2) 0.1113(3) 0.35141(9) 0.0499(10) Uani 1 d G .
H65A H 0.3448(3) 0.1128(4) 0.31908(12) 0.060 Uiso 1 calc R .
C66 C 0.1260(2) 0.0676(2) 0.33855(7) 0.0403(9) Uani 1 d G .
C71 C -0.3369(3) 0.0584(2) 0.38241(10) 0.0478(10) Uani 1 d G .
C72 C -0.3243(3) 0.0694(2) 0.44607(11) 0.0506(10) Uani 1 d G .
H72A H -0.3631(4) -0.0054(2) 0.46138(15) 0.061 Uiso 1 calc R .
C73 C -0.2536(3) 0.1923(2) 0.48683(7) 0.0538(11) Uani 1 d G .
C74 C -0.1956(3) 0.3041(2) 0.46394(9) 0.0516(10) Uani 1 d G .
H74A H -0.1483(4) 0.3863(2) 0.49121(13) 0.062 Uiso 1 calc R .
C75 C -0.2082(3) 0.2931(2) 0.40029(10) 0.0482(10) Uani 1 d G .
C76 C -0.2789(3) 0.1703(2) 0.35952(7) 0.0423(9) Uani 1 d G .
C77 C -0.4166(6) -0.0783(4) 0.3403(2) 0.0756(14) Uani 1 d . .
H77A H -0.4179(6) -0.0727(4) 0.2978(2) 0.113 Uiso 1 calc R .
H77B H -0.5203(6) -0.1195(4) 0.3498(2) 0.113 Uiso 1 calc R .
H77C H -0.3620(6) -0.1291(4) 0.3467(2) 0.113 Uiso 1 calc R .
C78 C -0.2332(6) 0.2058(5) 0.5570(2) 0.081(2) Uani 1 d . .
H78A H -0.1824(6) 0.2968(5) 0.5780(2) 0.122 Uiso 1 calc R .
H78B H -0.1721(6) 0.1617(5) 0.5658(2) 0.122 Uiso 1 calc R .
H78C H -0.3322(6) 0.1673(5) 0.5712(2) 0.122 Uiso 1 calc R .
C79 C -0.1531(6) 0.4186(4) 0.3786(2) 0.0686(13) Uani 1 d . .
H79A H -0.1677(6) 0.3982(4) 0.3340(2) 0.103 Uiso 1 calc R .
H79B H -0.0458(6) 0.4704(4) 0.3929(2) 0.103 Uiso 1 calc R .
H79C H -0.2107(6) 0.4671(4) 0.3950(2) 0.103 Uiso 1 calc R .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ni P3 101.08(4) . . ?
P2 Ni P4 117.03(4) . . ?
P3 Ni P4 117.01(4) . . ?
P2 Ni P1 94.82(4) . . ?
P3 Ni P1 96.16(4) . . ?
P4 Ni P1 125.72(4) . . ?
C16 P1 C26 98.52(12) . . ?
C16 P1 C1 100.44(14) . . ?
C26 P1 C1 101.16(14) . . ?
C16 P1 Ni 121.01(8) . . ?
C26 P1 Ni 125.24(10) . . ?
C1 P1 Ni 106.41(12) . . ?
C36 P2 C46 98.12(11) . . ?
C36 P2 C2 102.61(13) . . ?
C46 P2 C2 102.28(14) . . ?
C36 P2 Ni 116.74(8) . . ?
C46 P2 Ni 126.30(9) . . ?
C2 P2 Ni 107.75(11) . . ?
C56 P3 C66 99.56(12) . . ?
C56 P3 C3 99.46(15) . . ?
C66 P3 C3 105.48(14) . . ?
C56 P3 Ni 123.66(10) . . ?
C66 P3 Ni 118.56(9) . . ?
C3 P3 Ni 107.41(12) . . ?
C76 P4 Ni 120.95(9) . . ?
C4 C1 P1 117.9(2) . . ?
C4 C2 P2 117.9(2) . . ?
C3 C4 C5 106.7(3) . . ?
C3 C4 C1 111.4(3) . . ?
C5 C4 C1 107.1(3) . . ?
C3 C4 C2 112.2(3) . . ?
C5 C4 C2 106.5(3) . . ?
C1 C4 C2 112.6(3) . . ?
C4 C3 P3 117.2(2) . . ?
C12 C11 C16 120.0 . . ?
C13 C12 C11 120.0 . . ?
C12 C13 C14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C14 C15 C16 120.0 . . ?
C15 C16 C11 120.0 . . ?
C15 C16 P1 121.60(13) . . ?
C11 C16 P1 118.39(13) . . ?
C22 C21 C26 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C23 C24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C24 C25 C26 120.0 . . ?
C25 C26 C21 120.0 . . ?
C25 C26 P1 121.88(15) . . ?
C21 C26 P1 118.12(15) . . ?
C32 C31 C36 120.0 . . ?
C33 C32 C31 120.0 . . ?
C32 C33 C34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C35 C36 C31 120.0 . . ?
C35 C36 P2 121.56(13) . . ?
C31 C36 P2 118.44(13) . . ?
C42 C41 C46 120.0 . . ?
C41 C42 C43 120.0 . . ?
C44 C43 C42 120.0 . . ?
C43 C44 C45 120.0 . . ?
C46 C45 C44 120.0 . . ?
C45 C46 C41 120.0 . . ?
C45 C46 P2 122.01(15) . . ?
C41 C46 P2 117.98(15) . . ?
C52 C51 C56 120.0 . . ?
C51 C52 C53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C53 C54 C55 120.0 . . ?
C56 C55 C54 120.0 . . ?
C55 C56 C51 120.0 . . ?
C55 C56 P3 121.8(2) . . ?
C51 C56 P3 117.9(2) . . ?
C62 C61 C66 120.0 . . ?
C63 C62 C61 120.0 . . ?
C62 C63 C64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 P3 125.42(13) . . ?
C61 C66 P3 114.40(13) . . ?
C72 C71 C76 120.0 . . ?
C72 C71 C77 117.6(2) . . ?
C76 C71 C77 122.4(2) . . ?
C71 C72 C73 120.0 . . ?
C72 C73 C74 120.0 . . ?
C72 C73 C78 120.6(2) . . ?
C74 C73 C78 119.3(2) . . ?
C75 C74 C73 120.0 . . ?
C74 C75 C76 120.0 . . ?
C74 C75 C79 117.4(2) . . ?
C76 C75 C79 122.5(2) . . ?
C75 C76 C71 120.0 . . ?
C75 C76 P4 118.45(14) . . ?
C71 C76 P4 120.76(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni P2 2.1361(9) . ?
Ni P3 2.1447(11) . ?
Ni P4 2.1448(12) . ?
Ni P1 2.1681(11) . ?
P1 C16 1.839(2) . ?
P1 C26 1.867(2) . ?
P1 C1 1.873(4) . ?
P2 C36 1.848(2) . ?
P2 C46 1.864(2) . ?
P2 C2 1.870(4) . ?
P3 C56 1.846(2) . ?
P3 C66 1.850(2) . ?
P3 C3 1.866(3) . ?
P4 C76 1.857(2) . ?
C1 C4 1.543(5) . ?
C2 C4 1.554(5) . ?
C4 C3 1.543(5) . ?
C4 C5 1.538(5) . ?
C11 C12 1.39 . ?
C11 C16 1.39 . ?
C12 C13 1.39 . ?
C13 C14 1.39 . ?
C14 C15 1.39 . ?
C15 C16 1.39 . ?
C21 C22 1.39 . ?
C21 C26 1.39 . ?
C22 C23 1.39 . ?
C23 C24 1.39 . ?
C24 C25 1.39 . ?
C25 C26 1.39 . ?
C31 C32 1.39 . ?
C31 C36 1.39 . ?
C32 C33 1.39 . ?
C33 C34 1.39 . ?
C34 C35 1.39 . ?
C35 C36 1.39 . ?
C41 C42 1.39 . ?
C41 C46 1.39 . ?
C42 C43 1.39 . ?
C43 C44 1.39 . ?
C44 C45 1.39 . ?
C45 C46 1.39 . ?
C51 C52 1.39 . ?
C51 C56 1.39 . ?
C52 C53 1.39 . ?
C53 C54 1.39 . ?
C54 C55 1.39 . ?
C55 C56 1.39 . ?
C61 C62 1.39 . ?
C61 C66 1.39 . ?
C62 C63 1.39 . ?
C63 C64 1.39 . ?
C64 C65 1.39 . ?
C65 C66 1.39 . ?
C71 C72 1.39 . ?
C71 C76 1.39 . ?
C71 C77 1.518(5) . ?
C72 C73 1.39 . ?
C73 C74 1.39 . ?
C73 C78 1.534(4) . ?
C74 C75 1.39 . ?
C75 C76 1.39 . ?
C75 C79 1.512(4) . ?
