#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:41:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179759 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/55/7005554.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_7005554
loop_
_publ_author_name
'Chen, Matthew'
'Fulton, J. Robin'
'Hitchcock, Peter B.'
'Johnstone, Nick C.'
'Lappert, Michael F.'
'Protchenko, Andrey V.'
_publ_section_title
;
 Synthesis and theoretical studies on rare three-coordinate lead
 complexes.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2770
_journal_page_last               2778
_journal_paper_doi               10.1039/b702994b
_journal_year                    2007
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C35 H59 N3 Pb1 Si2, 0.5(C6 H6)'
_chemical_formula_sum            'C38 H62 N3 Pb Si2'
_chemical_formula_weight         824.28
_chemical_name_systematic
;
?
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2003-10-06T14:21:17-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                97.37
_cell_angle_beta                 100.251(1)
_cell_angle_gamma                115.650(1)
_cell_formula_units_Z            2
_cell_length_a                   11.9346(1)
_cell_length_b                   13.3033(1)
_cell_length_c                   14.6879(2)
_cell_measurement_reflns_used    12023
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      3.705
_cell_measurement_wavelength     0.71073
_cell_volume                     2012.46(4)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.335227E-1
_diffrn_orient_matrix_UB_12      0.322713E-1
_diffrn_orient_matrix_UB_13      0.702573E-1
_diffrn_orient_matrix_UB_21      0.892339E-1
_diffrn_orient_matrix_UB_22      0.193091E-1
_diffrn_orient_matrix_UB_23      -0.48403E-2
_diffrn_orient_matrix_UB_31      0.136182E-1
_diffrn_orient_matrix_UB_32      0.770218E-1
_diffrn_orient_matrix_UB_33      -0.99108E-2
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21146
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         3.71
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    4.279
_exptl_absorpt_correction_T_max  0.619
_exptl_absorpt_correction_T_min  0.407
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.36
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             842
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.598
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         6985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.025
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0224P)²+2.6530P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0578
_reflns_number_gt                6494
_reflns_number_total             6985
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b702994b.txt
_cod_data_source_block           (5)-oct603
_cod_original_cell_volume        2012.49(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7005554
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb Pb 0.661476(11) 0.742396(10) 0.679046(9) 0.02119(5) Uani 1 1 d . . .
Si1 Si 0.66435(12) 0.97969(10) 0.64651(9) 0.0421(3) Uani 1 1 d . . .
Si2 Si 0.79282(10) 1.01568(8) 0.85074(8) 0.0326(2) Uani 1 1 d . . .
N1 N 0.6002(3) 0.6537(2) 0.8021(2) 0.0234(6) Uani 1 1 d . . .
N2 N 0.8519(3) 0.7328(2) 0.7347(2) 0.0239(6) Uani 1 1 d . . .
N3 N 0.7231(3) 0.9312(2) 0.7370(2) 0.0272(7) Uani 1 1 d . . .
C1 C 0.6789(3) 0.6425(3) 0.8716(3) 0.0269(8) Uani 1 1 d . . .
C2 C 0.8100(3) 0.6778(3) 0.8810(3) 0.0267(8) Uani 1 1 d . . .
H2 H 0.8554 0.6791 0.9416 0.032 Uiso 1 1 calc R . .
C3 C 0.8864(3) 0.7115(3) 0.8174(3) 0.0235(7) Uani 1 1 d . . .
C4 C 0.6262(4) 0.5848(4) 0.9481(3) 0.0494(12) Uani 1 1 d . . .
H4A H 0.5407 0.5786 0.9449 0.074 Uiso 1 1 calc R . .
H4B H 0.6842 0.6306 1.0108 0.074 Uiso 1 1 calc R . .
H4C H 0.6199 0.5081 0.9382 0.074 Uiso 1 1 calc R . .
C5 C 1.0200(3) 0.7219(3) 0.8497(3) 0.0345(9) Uani 1 1 d . . .
H5A H 1.0465 0.7 0.7942 0.052 Uiso 1 1 calc R . .
H5B H 1.0185 0.6711 0.8928 0.052 Uiso 1 1 calc R . .
H5C H 1.0812 0.8013 0.8829 0.052 Uiso 1 1 calc R . .
C6 C 0.4631(3) 0.5841(3) 0.7835(3) 0.0314(8) Uani 1 1 d . . .
C7 C 0.4083(4) 0.4671(4) 0.7426(3) 0.0452(11) Uani 1 1 d . . .
C8 C 0.2740(4) 0.4015(4) 0.7212(4) 0.0616(14) Uani 1 1 d . . .
H8 H 0.2352 0.3216 0.694 0.074 Uiso 1 1 calc R . .
C9 C 0.1979(4) 0.4505(5) 0.7390(4) 0.0667(15) Uani 1 1 d . . .
H9 H 0.1072 0.4046 0.7244 0.08 Uiso 1 1 calc R . .
C10 C 0.2519(4) 0.5650(5) 0.7777(4) 0.0565(13) Uani 1 1 d . . .
H10 H 0.1978 0.598 0.7891 0.068 Uiso 1 1 calc R . .
C11 C 0.3847(3) 0.6349(4) 0.8010(3) 0.0399(10) Uani 1 1 d . . .
C12 C 0.4861(5) 0.4088(4) 0.7148(4) 0.0594(14) Uani 1 1 d . . .
H12 H 0.5794 0.4654 0.7395 0.071 Uiso 1 1 calc R . .
C13 C 0.4552(6) 0.3762(5) 0.6058(5) 0.094(2) Uani 1 1 d . . .
H13A H 0.5054 0.339 0.5871 0.141 Uiso 1 1 calc R . .
H13B H 0.4773 0.4455 0.5811 0.141 Uiso 1 1 calc R . .
H13C H 0.3631 0.3234 0.5797 0.141 Uiso 1 1 calc R . .
C14 C 0.4630(7) 0.3052(5) 0.7566(7) 0.115(3) Uani 1 1 d . . .
H14A H 0.516 0.2715 0.7372 0.173 Uiso 1 1 calc R . .
H14B H 0.3719 0.2484 0.7335 0.173 Uiso 1 1 calc R . .
H14C H 0.4862 0.3289 0.8261 0.173 Uiso 1 1 calc R . .
C15 C 0.4422(4) 0.7608(4) 0.8501(4) 0.0498(12) Uani 1 1 d . . .
H15 H 0.5231 0.8035 0.8307 0.06 Uiso 1 1 calc R . .
C16 C 0.3553(5) 0.8148(6) 0.8234(7) 0.104(3) Uani 1 1 d . . .
H16A H 0.3986 0.8955 0.8574 0.157 Uiso 1 1 calc R . .
H16B H 0.2745 0.7742 0.8409 0.157 Uiso 1 1 calc R . .
H16C H 0.3368 0.8094 0.7547 0.157 Uiso 1 1 calc R . .
C17 C 0.4791(6) 0.7782(5) 0.9595(4) 0.0806(18) Uani 1 1 d . . .
H17A H 0.5164 0.8599 0.9895 0.121 Uiso 1 1 calc R . .
H17B H 0.5423 0.7511 0.9779 0.121 Uiso 1 1 calc R . .
H17C H 0.402 0.7348 0.9804 0.121 Uiso 1 1 calc R . .
C18 C 0.9279(3) 0.7402(3) 0.6668(3) 0.0284(8) Uani 1 1 d . . .
C19 C 0.8970(4) 0.6391(3) 0.6007(3) 0.0343(9) Uani 1 1 d . . .
C20 C 0.9736(5) 0.6458(4) 0.5378(4) 0.0521(12) Uani 1 1 d . . .
H20 H 0.9545 0.5786 0.4932 0.063 Uiso 1 1 calc R . .
C21 C 1.0763(5) 0.7482(5) 0.5393(4) 0.0648(15) Uani 1 1 d . . .
H21 H 1.1289 0.7508 0.4972 0.078 Uiso 1 1 calc R . .
C22 C 1.1024(5) 0.8464(4) 0.6015(4) 0.0626(15) Uani 1 1 d . . .
H22 H 1.1724 0.9168 0.6008 0.075 Uiso 1 1 calc R . .
C23 C 1.0292(4) 0.8464(3) 0.6661(3) 0.0419(10) Uani 1 1 d . . .
C24 C 0.7876(4) 0.5243(3) 0.5981(3) 0.0357(9) Uani 1 1 d . . .
H24 H 0.7205 0.5384 0.621 0.043 Uiso 1 1 calc R . .
C25 C 0.8314(5) 0.4607(4) 0.6641(4) 0.0612(14) Uani 1 1 d . . .
H25A H 0.7581 0.3869 0.6607 0.092 Uiso 1 1 calc R . .
H25B H 0.865 0.5069 0.7295 0.092 Uiso 1 1 calc R . .
H25C H 0.8991 0.4477 0.6442 0.092 Uiso 1 1 calc R . .
C26 C 0.7241(5) 0.4464(5) 0.4974(4) 0.0640(14) Uani 1 1 d . . .
H26A H 0.6537 0.3735 0.4996 0.096 Uiso 1 1 calc R . .
H26B H 0.7882 0.432 0.4728 0.096 Uiso 1 1 calc R . .
H26C H 0.69 0.4841 0.4556 0.096 Uiso 1 1 calc R . .
C27 C 1.0631(4) 0.9585(3) 0.7306(4) 0.0499(12) Uani 1 1 d . . .
H27 H 1.0005 0.9437 0.7705 0.06 Uiso 1 1 calc R . .
C28 C 1.1999(5) 1.0139(4) 0.7972(4) 0.0654(15) Uani 1 1 d . . .
H28A H 1.2174 1.0863 0.8379 0.098 Uiso 1 1 calc R . .
H28B H 1.2626 1.0289 0.7592 0.098 Uiso 1 1 calc R . .
H28C H 1.2066 0.9619 0.837 0.098 Uiso 1 1 calc R . .
C29 C 1.0512(5) 1.0422(4) 0.6711(5) 0.0717(17) Uani 1 1 d . . .
H29A H 1.0728 1.1147 0.7136 0.108 Uiso 1 1 calc R . .
H29B H 0.9628 1.009 0.6315 0.108 Uiso 1 1 calc R . .
H29C H 1.1106 1.0563 0.6303 0.108 Uiso 1 1 calc R . .
C30 C 0.6852(7) 0.9261(5) 0.5309(4) 0.0777(19) Uani 1 1 d . . .
H30A H 0.645 0.8423 0.5166 0.116 Uiso 1 1 calc R . .
H30B H 0.7772 0.9574 0.5344 0.116 Uiso 1 1 calc R . .
H30C H 0.6442 0.9505 0.4805 0.116 Uiso 1 1 calc R . .
C31 C 0.7441(7) 1.1393(4) 0.6634(4) 0.081(2) Uani 1 1 d . . .
H31A H 0.7368 1.1743 0.7235 0.122 Uiso 1 1 calc R . .
H31B H 0.7021 1.1597 0.6107 0.122 Uiso 1 1 calc R . .
H31C H 0.8353 1.1674 0.665 0.122 Uiso 1 1 calc R . .
C32 C 0.4864(6) 0.9281(7) 0.6279(6) 0.118(3) Uani 1 1 d . . .
H32A H 0.4698 0.9543 0.6871 0.177 Uiso 1 1 calc R . .
H32B H 0.4409 0.8442 0.6095 0.177 Uiso 1 1 calc R . .
H32C H 0.4559 0.9589 0.5775 0.177 Uiso 1 1 calc R . .
C33 C 0.9540(4) 1.1411(4) 0.8655(4) 0.0519(12) Uani 1 1 d . . .
H33A H 0.946 1.1876 0.8206 0.078 Uiso 1 1 calc R . .
H33B H 1.015 1.1134 0.8529 0.078 Uiso 1 1 calc R . .
H33C H 0.9854 1.1877 0.9306 0.078 Uiso 1 1 calc R . .
C34 C 0.6918(5) 1.0783(4) 0.8930(4) 0.0526(12) Uani 1 1 d . . .
H34A H 0.674 1.1216 0.8483 0.079 Uiso 1 1 calc R . .
H34B H 0.7384 1.1296 0.9561 0.079 Uiso 1 1 calc R . .
H34C H 0.6105 1.0163 0.8965 0.079 Uiso 1 1 calc R . .
C35 C 0.8214(5) 0.9360(4) 0.9392(3) 0.0524(12) Uani 1 1 d . . .
H35A H 0.8741 0.9016 0.9204 0.079 Uiso 1 1 calc R . .
H35B H 0.7387 0.8755 0.9422 0.079 Uiso 1 1 calc R . .
H35C H 0.8664 0.9888 1.0019 0.079 Uiso 1 1 calc R . .
C36 C 0.9011(8) 0.5007(7) 1.0325(6) 0.082(2) Uani 1 1 d . . .
H36 H 0.8313 0.5011 1.055 0.098 Uiso 1 1 calc R . .
C37 C 0.8780(6) 0.4350(5) 0.9461(5) 0.0774(19) Uani 1 1 d . . .
H37 H 0.792 0.389 0.9082 0.093 Uiso 1 1 calc R . .
C38 C 0.9774(9) 0.4345(5) 0.9133(4) 0.079(2) Uani 1 1 d . . .
H38 H 0.9612 0.3888 0.8525 0.095 Uiso 1 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
N3 Pb N2 101.74(10) . . ?
N3 Pb N1 104.91(10) . . ?
N2 Pb N1 83.54(9) . . ?
N3 Si1 C30 112.2(2) . . ?
N3 Si1 C31 114.8(2) . . ?
C30 Si1 C31 104.5(3) . . ?
N3 Si1 C32 111.1(2) . . ?
C30 Si1 C32 106.0(4) . . ?
C31 Si1 C32 107.8(3) . . ?
N3 Si2 C35 112.59(17) . . ?
N3 Si2 C33 113.9(2) . . ?
C35 Si2 C33 105.0(2) . . ?
N3 Si2 C34 112.81(19) . . ?
C35 Si2 C34 106.3(2) . . ?
C33 Si2 C34 105.5(2) . . ?
C1 N1 C6 119.8(3) . . ?
C1 N1 Pb 125.1(2) . . ?
C6 N1 Pb 113.2(2) . . ?
C3 N2 C18 119.7(3) . . ?
C3 N2 Pb 125.0(2) . . ?
C18 N2 Pb 115.0(2) . . ?
Si1 N3 Si2 120.73(16) . . ?
Si1 N3 Pb 107.35(14) . . ?
Si2 N3 Pb 131.26(15) . . ?
N1 C1 C2 125.8(3) . . ?
N1 C1 C4 119.4(3) . . ?
C2 C1 C4 114.8(3) . . ?
C1 C2 C3 131.7(3) . . ?
N2 C3 C2 126.0(3) . . ?
N2 C3 C5 119.3(3) . . ?
C2 C3 C5 114.6(3) . . ?
C7 C6 C11 120.6(3) . . ?
C7 C6 N1 119.1(3) . . ?
C11 C6 N1 120.2(3) . . ?
C6 C7 C8 118.3(4) . . ?
C6 C7 C12 123.2(3) . . ?
C8 C7 C12 118.3(4) . . ?
C9 C8 C7 121.1(5) . . ?
C10 C9 C8 120.2(4) . . ?
C9 C10 C11 121.6(4) . . ?
C10 C11 C6 118.2(4) . . ?
C10 C11 C15 120.0(4) . . ?
C6 C11 C15 121.7(3) . . ?
C14 C12 C7 112.8(4) . . ?
C14 C12 C13 111.2(5) . . ?
C7 C12 C13 108.8(5) . . ?
C11 C15 C16 114.1(4) . . ?
C11 C15 C17 110.9(4) . . ?
C16 C15 C17 108.9(5) . . ?
C23 C18 C19 121.0(3) . . ?
C23 C18 N2 120.6(3) . . ?
C19 C18 N2 118.5(3) . . ?
C20 C19 C18 118.3(4) . . ?
C20 C19 C24 119.2(4) . . ?
C18 C19 C24 122.5(3) . . ?
C21 C20 C19 121.2(4) . . ?
C22 C21 C20 119.9(4) . . ?
C21 C22 C23 122.1(4) . . ?
C22 C23 C18 117.5(4) . . ?
C22 C23 C27 118.5(4) . . ?
C18 C23 C27 124.0(4) . . ?
C19 C24 C25 111.7(3) . . ?
C19 C24 C26 112.8(4) . . ?
C25 C24 C26 108.8(4) . . ?
C23 C27 C29 110.0(5) . . ?
C23 C27 C28 112.4(4) . . ?
C29 C27 C28 109.4(4) . . ?
C38 C36 C37 120.2(6) 2_767 . ?
C36 C37 C38 120.2(6) . . ?
C36 C38 C37 119.6(6) 2_767 . ?
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
Pb N3 2.281(3) . ?
Pb N2 2.338(3) . ?
Pb N1 2.338(3) . ?
Si1 N3 1.718(3) . ?
Si1 C30 1.857(6) . ?
Si1 C31 1.873(5) . ?
Si1 C32 1.881(6) . ?
Si2 N3 1.721(3) . ?
Si2 C35 1.854(4) . ?
Si2 C33 1.874(5) . ?
Si2 C34 1.880(4) . ?
N1 C1 1.328(4) . ?
N1 C6 1.440(4) . ?
N2 C3 1.318(4) . ?
N2 C18 1.448(4) . ?
C1 C2 1.399(5) . ?
C1 C4 1.518(5) . ?
C2 C3 1.401(5) . ?
C3 C5 1.519(5) . ?
C6 C7 1.396(6) . ?
C6 C11 1.410(5) . ?
C7 C8 1.404(6) . ?
C7 C12 1.519(6) . ?
C8 C9 1.369(7) . ?
C9 C10 1.363(7) . ?
C10 C11 1.394(6) . ?
C11 C15 1.521(6) . ?
C12 C14 1.516(8) . ?
C12 C13 1.536(8) . ?
C15 C16 1.521(6) . ?
C15 C17 1.548(8) . ?
C18 C23 1.409(5) . ?
C18 C19 1.413(5) . ?
C19 C20 1.396(6) . ?
C19 C24 1.510(5) . ?
C20 C21 1.376(7) . ?
C21 C22 1.372(7) . ?
C22 C23 1.399(6) . ?
C23 C27 1.504(6) . ?
C24 C25 1.529(6) . ?
C24 C26 1.537(6) . ?
C27 C29 1.538(7) . ?
C27 C28 1.540(7) . ?
C36 C38 1.345(10) 2_767 ?
C36 C37 1.355(10) . ?
C37 C38 1.360(9) . ?
C38 C36 1.345(10) 2_767 ?
