#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:19:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180072 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/18/7051866.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_7051866
loop_
_publ_author_name
'Stasch, Andreas'
'Forsyth, Craig M.'
'Jones, Cameron'
'Junk, Peter C.'
_publ_section_title
;
 Thermally stable lead(ii) amidinates and guanidinates
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              829
_journal_paper_doi               10.1039/b718537e
_journal_volume                  32
_journal_year                    2008
_chemical_formula_moiety         'C74 H104 Cl2 N6 Pb2, 2(C7 H8)'
_chemical_formula_sum            'C88 H120 Cl2 N6 Pb2'
_chemical_formula_weight         1747.18
_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-97
_cell_angle_alpha                109.593(2)
_cell_angle_beta                 98.675(2)
_cell_angle_gamma                95.682(3)
_cell_formula_units_Z            1
_cell_length_a                   10.9449(4)
_cell_length_b                   13.1345(4)
_cell_length_c                   15.3776(7)
_cell_measurement_temperature    123(2)
_cell_volume                     2032.07(14)
_computing_cell_refinement       'Denzo SMN (Otwinoski and Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo SMN (Otwinoski and Minor, 1997)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'CIFTAB (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Enraf Nonius KAPPA CCD'
_diffrn_measurement_method       'phi and omega 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  0.1043
_diffrn_reflns_av_sigmaI/netI    0.1466
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21071
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.73
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.250
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.152
_refine_diff_density_min         -1.274
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         7131
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0254P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0871
_reflns_number_gt                4996
_reflns_number_total             7131
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b718537e.txt
_cod_data_source_block           pbhdgcl
_cod_original_cell_volume        2032.06(13)
_cod_database_code               7051866
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
Pb1 Pb 0.68323(3) 0.53092(3) 0.59367(2) 0.01806(11) Uani 1 1 d . . .
Cl1 Cl 0.44952(15) 0.53957(17) 0.61033(12) 0.0290(5) Uani 1 1 d . . .
N1 N 0.7486(4) 0.6663(4) 0.7495(4) 0.0118(11) Uani 1 1 d U . .
N2 N 0.7775(4) 0.7109(4) 0.6241(4) 0.0108(13) Uani 1 1 d . . .
N3 N 0.8818(5) 0.8320(5) 0.7791(4) 0.0163(14) Uani 1 1 d . . .
C1 C 0.8049(6) 0.7381(6) 0.7178(5) 0.0110(11) Uani 1 1 d U . .
C2 C 0.7748(5) 0.6692(6) 0.8435(5) 0.0128(12) Uani 1 1 d U . .
C3 C 0.7327(5) 0.7485(6) 0.9149(5) 0.0128(12) Uani 1 1 d U . .
C4 C 0.7534(6) 0.7443(6) 1.0050(5) 0.0226(19) Uani 1 1 d . . .
H4 H 0.7264 0.7981 1.0538 0.027 Uiso 1 1 calc R . .
C5 C 0.8118(6) 0.6649(6) 1.0258(5) 0.0236(19) Uani 1 1 d . . .
H5 H 0.8253 0.6637 1.0879 0.028 Uiso 1 1 calc R . .
C6 C 0.8500(6) 0.5876(6) 0.9548(5) 0.0220(19) Uani 1 1 d . . .
H6 H 0.8901 0.5325 0.9689 0.026 Uiso 1 1 calc R . .
C7 C 0.8327(6) 0.5864(6) 0.8634(5) 0.0162(18) Uani 1 1 d . . .
C8 C 0.6582(6) 0.8334(6) 0.8955(5) 0.0189(18) Uani 1 1 d . . .
H8 H 0.6919 0.8545 0.8460 0.023 Uiso 1 1 calc R . .
C9 C 0.6674(7) 0.9389(7) 0.9804(5) 0.037(2) Uani 1 1 d . . .
H9A H 0.6254 0.9227 1.0272 0.056 Uiso 1 1 calc R . .
H9B H 0.6270 0.9925 0.9597 0.056 Uiso 1 1 calc R . .
H9C H 0.7557 0.9691 1.0083 0.056 Uiso 1 1 calc R . .
C10 C 0.5207(6) 0.7820(6) 0.8549(5) 0.032(2) Uani 1 1 d . . .
H10A H 0.4853 0.7576 0.9008 0.048 Uiso 1 1 calc R . .
H10B H 0.5150 0.7191 0.7969 0.048 Uiso 1 1 calc R . .
H10C H 0.4738 0.8363 0.8409 0.048 Uiso 1 1 calc R . .
C11 C 0.8681(6) 0.4929(6) 0.7856(5) 0.0176(18) Uani 1 1 d . . .
H11 H 0.8861 0.5212 0.7353 0.021 Uiso 1 1 calc R . .
C12 C 0.9831(6) 0.4482(6) 0.8175(5) 0.0240(19) Uani 1 1 d . . .
H12A H 1.0532 0.5085 0.8486 0.036 Uiso 1 1 calc R . .
H12B H 1.0054 0.3950 0.7626 0.036 Uiso 1 1 calc R . .
H12C H 0.9646 0.4124 0.8616 0.036 Uiso 1 1 calc R . .
C13 C 0.7555(6) 0.3999(6) 0.7421(5) 0.0244(19) Uani 1 1 d . . .
H13A H 0.7730 0.3449 0.6861 0.037 Uiso 1 1 calc R . .
H13B H 0.6810 0.4296 0.7243 0.037 Uiso 1 1 calc R . .
H13C H 0.7408 0.3659 0.7882 0.037 Uiso 1 1 calc R . .
C14 C 0.7883(6) 0.7864(6) 0.5760(5) 0.0152(17) Uani 1 1 d . . .
C15 C 0.8857(6) 0.7868(6) 0.5261(5) 0.0165(17) Uani 1 1 d . . .
C16 C 0.8933(6) 0.8617(6) 0.4793(5) 0.025(2) Uani 1 1 d . . .
H16 H 0.9601 0.8653 0.4470 0.030 Uiso 1 1 calc R . .
C17 C 0.8061(7) 0.9297(7) 0.4794(5) 0.031(2) Uani 1 1 d . . .
H17 H 0.8130 0.9808 0.4482 0.037 Uiso 1 1 calc R . .
C18 C 0.7088(7) 0.9232(6) 0.5250(5) 0.027(2) Uani 1 1 d . . .
H18 H 0.6476 0.9694 0.5231 0.032 Uiso 1 1 calc R . .
C19 C 0.6954(6) 0.8523(6) 0.5737(5) 0.0168(18) Uani 1 1 d . . .
C20 C 0.9763(6) 0.7047(6) 0.5188(5) 0.0188(18) Uani 1 1 d . . .
H20 H 0.9897 0.6909 0.5794 0.023 Uiso 1 1 calc R . .
C21 C 0.9169(6) 0.5969(6) 0.4407(5) 0.027(2) Uani 1 1 d . . .
H21A H 0.8365 0.5708 0.4529 0.041 Uiso 1 1 calc R . .
H21B H 0.9726 0.5425 0.4386 0.041 Uiso 1 1 calc R . .
H21C H 0.9032 0.6078 0.3802 0.041 Uiso 1 1 calc R . .
C22 C 1.1044(6) 0.7441(7) 0.5029(5) 0.030(2) Uani 1 1 d . . .
H22A H 1.1605 0.6912 0.5063 0.045 Uiso 1 1 calc R . .
H22B H 1.1398 0.8156 0.5515 0.045 Uiso 1 1 calc R . .
H22C H 1.0951 0.7507 0.4407 0.045 Uiso 1 1 calc R . .
C23 C 0.5774(6) 0.8376(7) 0.6108(6) 0.031(2) Uani 1 1 d . . .
H23 H 0.5912 0.7925 0.6515 0.037 Uiso 1 1 calc R . .
C24 C 0.4702(6) 0.7751(7) 0.5292(6) 0.048(3) Uani 1 1 d . . .
H24A H 0.4509 0.8202 0.4910 0.072 Uiso 1 1 calc R . .
H24B H 0.3962 0.7578 0.5535 0.072 Uiso 1 1 calc R . .
H24C H 0.4942 0.7071 0.4903 0.072 Uiso 1 1 calc R . .
C25 C 0.5416(6) 0.9460(7) 0.6702(6) 0.040(2) Uani 1 1 d . . .
H25A H 0.6087 0.9839 0.7252 0.060 Uiso 1 1 calc R . .
H25B H 0.4637 0.9309 0.6911 0.060 Uiso 1 1 calc R . .
H25C H 0.5297 0.9923 0.6321 0.060 Uiso 1 1 calc R . .
C26 C 0.9930(6) 0.8863(6) 0.7626(4) 0.0135(17) Uani 1 1 d . . .
C27 C 0.9938(6) 0.9915(6) 0.7603(5) 0.0175(18) Uani 1 1 d . . .
C28 C 1.1030(6) 1.0440(6) 0.7492(5) 0.0199(18) Uani 1 1 d . . .
H28 H 1.1050 1.1151 0.7459 0.024 Uiso 1 1 calc R . .
C29 C 1.2090(6) 0.9954(6) 0.7427(5) 0.0245(19) Uani 1 1 d . . .
H29 H 1.2833 1.0327 0.7352 0.029 Uiso 1 1 calc R . .
C30 C 1.2061(6) 0.8907(7) 0.7475(5) 0.021(2) Uani 1 1 d . . .
H30 H 1.2791 0.8572 0.7429 0.026 Uiso 1 1 calc R . .
C31 C 1.0995(6) 0.8351(6) 0.7586(5) 0.0150(18) Uani 1 1 d . . .
C32 C 0.8808(6) 1.0486(6) 0.7752(5) 0.0222(19) Uani 1 1 d . . .
H32 H 0.8040 0.9919 0.7465 0.027 Uiso 1 1 calc R . .
C33 C 0.8833(7) 1.0998(7) 0.8810(5) 0.037(2) Uani 1 1 d . . .
H33A H 0.8884 1.0434 0.9093 0.055 Uiso 1 1 calc R . .
H33B H 0.8067 1.1313 0.8908 0.055 Uiso 1 1 calc R . .
H33C H 0.9563 1.1576 0.9105 0.055 Uiso 1 1 calc R . .
C34 C 0.8709(7) 1.1351(6) 0.7308(6) 0.034(2) Uani 1 1 d . . .
H34A H 0.9387 1.1970 0.7641 0.050 Uiso 1 1 calc R . .
H34B H 0.7900 1.1605 0.7351 0.050 Uiso 1 1 calc R . .
H34C H 0.8775 1.1039 0.6645 0.050 Uiso 1 1 calc R . .
C35 C 1.1018(6) 0.7289(6) 0.7773(5) 0.0194(18) Uani 1 1 d . . .
H35 H 1.0158 0.6849 0.7532 0.023 Uiso 1 1 calc R . .
C36 C 1.1948(6) 0.6585(6) 0.7285(5) 0.026(2) Uani 1 1 d . . .
H36A H 1.1826 0.6520 0.6623 0.039 Uiso 1 1 calc R . .
H36B H 1.1798 0.5854 0.7323 0.039 Uiso 1 1 calc R . .
H36C H 1.2809 0.6935 0.7601 0.039 Uiso 1 1 calc R . .
C37 C 1.1342(7) 0.7559(7) 0.8844(5) 0.033(2) Uani 1 1 d . . .
H37A H 1.1302 0.6877 0.8975 0.050 Uiso 1 1 calc R . .
H37B H 1.0741 0.7992 0.9145 0.050 Uiso 1 1 calc R . .
H37C H 1.2189 0.7978 0.9093 0.050 Uiso 1 1 calc R . .
C38 C 0.5172(6) 0.4403(7) 0.8791(6) 0.033(2) Uani 1 1 d . . .
H38 H 0.5507 0.5088 0.9276 0.040 Uiso 1 1 calc R . .
C39 C 0.4346(7) 0.4375(8) 0.7996(7) 0.044(3) Uani 1 1 d . . .
H39 H 0.4140 0.5038 0.7938 0.052 Uiso 1 1 calc R . .
C40 C 0.3830(8) 0.3393(10) 0.7296(7) 0.055(3) Uani 1 1 d . . .
H40 H 0.3244 0.3361 0.6761 0.066 Uiso 1 1 calc R . .
C41 C 0.4186(8) 0.2458(9) 0.7392(7) 0.061(3) Uani 1 1 d . . .
H41 H 0.3867 0.1774 0.6900 0.073 Uiso 1 1 calc R . .
C42 C 0.4982(8) 0.2480(9) 0.8172(7) 0.050(3) Uani 1 1 d . . .
H42 H 0.5177 0.1813 0.8227 0.059 Uiso 1 1 calc R . .
C43 C 0.6443(7) 0.3477(8) 0.9709(6) 0.054(3) Uani 1 1 d . . .
H43A H 0.6141 0.2898 0.9930 0.081 Uiso 1 1 calc R . .
H43B H 0.6553 0.4190 1.0217 0.081 Uiso 1 1 calc R . .
H43C H 0.7247 0.3352 0.9518 0.081 Uiso 1 1 calc R . .
C44 C 0.5511(7) 0.3462(8) 0.8885(6) 0.037(2) Uani 1 1 d . . .
H3 H 0.8948 0.8248 0.8335 0.044 Uiso 1 1 d . . .
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'
N N 0.0061 0.0033 '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'
Pb Pb -3.3944 10.1111 '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
N2 Pb1 N1 56.52(17) . . ?
N2 Pb1 Cl1 106.49(12) . . ?
N1 Pb1 Cl1 89.28(12) . . ?
N2 Pb1 C1 28.44(16) . . ?
N1 Pb1 C1 28.49(16) . . ?
Cl1 Pb1 C1 102.24(12) . . ?
N2 Pb1 Cl1 102.15(13) . 2_666 ?
N1 Pb1 Cl1 151.23(12) . 2_666 ?
Cl1 Pb1 Cl1 78.14(6) . 2_666 ?
C1 Pb1 Cl1 129.60(13) . 2_666 ?
Pb1 Cl1 Pb1 101.86(6) . 2_666 ?
C1 N1 C2 124.9(6) . . ?
C1 N1 Pb1 92.5(4) . . ?
C2 N1 Pb1 138.0(4) . . ?
C1 N2 C14 124.8(6) . . ?
C1 N2 Pb1 95.1(4) . . ?
C14 N2 Pb1 139.0(4) . . ?
C1 N3 C26 126.8(5) . . ?
N1 C1 N2 114.3(6) . . ?
N1 C1 N3 120.9(6) . . ?
N2 C1 N3 124.7(6) . . ?
N1 C1 Pb1 59.0(4) . . ?
N2 C1 Pb1 56.5(4) . . ?
N3 C1 Pb1 170.7(4) . . ?
C7 C2 C3 120.0(6) . . ?
C7 C2 N1 119.5(6) . . ?
C3 C2 N1 120.2(6) . . ?
C4 C3 C2 118.4(6) . . ?
C4 C3 C8 119.1(6) . . ?
C2 C3 C8 122.4(6) . . ?
C5 C4 C3 122.2(7) . . ?
C6 C5 C4 118.4(7) . . ?
C5 C6 C7 122.7(7) . . ?
C6 C7 C2 118.3(7) . . ?
C6 C7 C11 120.2(6) . . ?
C2 C7 C11 121.4(6) . . ?
C3 C8 C10 109.8(6) . . ?
C3 C8 C9 115.1(6) . . ?
C10 C8 C9 109.9(5) . . ?
C12 C11 C7 114.4(6) . . ?
C12 C11 C13 109.8(6) . . ?
C7 C11 C13 109.2(5) . . ?
C19 C14 C15 121.6(6) . . ?
C19 C14 N2 118.9(6) . . ?
C15 C14 N2 119.3(5) . . ?
C16 C15 C14 117.8(6) . . ?
C16 C15 C20 121.0(6) . . ?
C14 C15 C20 121.1(6) . . ?
C17 C16 C15 121.2(7) . . ?
C18 C17 C16 119.3(7) . . ?
C17 C18 C19 123.0(7) . . ?
C18 C19 C14 116.9(6) . . ?
C18 C19 C23 120.5(6) . . ?
C14 C19 C23 122.2(6) . . ?
C21 C20 C15 109.4(5) . . ?
C21 C20 C22 110.1(6) . . ?
C15 C20 C22 114.0(6) . . ?
C19 C23 C24 109.4(6) . . ?
C19 C23 C25 113.5(7) . . ?
C24 C23 C25 109.6(6) . . ?
C27 C26 C31 122.5(6) . . ?
C27 C26 N3 118.7(6) . . ?
C31 C26 N3 118.5(6) . . ?
C28 C27 C26 117.8(6) . . ?
C28 C27 C32 121.2(7) . . ?
C26 C27 C32 120.9(6) . . ?
C29 C28 C27 121.4(7) . . ?
C28 C29 C30 119.3(6) . . ?
C31 C30 C29 121.3(6) . . ?
C30 C31 C26 117.5(6) . . ?
C30 C31 C35 121.1(6) . . ?
C26 C31 C35 121.1(6) . . ?
C34 C32 C27 114.2(6) . . ?
C34 C32 C33 109.7(6) . . ?
C27 C32 C33 109.2(5) . . ?
C31 C35 C37 108.8(6) . . ?
C31 C35 C36 113.5(5) . . ?
C37 C35 C36 110.0(5) . . ?
C44 C38 C39 121.3(9) . . ?
C40 C39 C38 120.2(8) . . ?
C41 C40 C39 118.0(8) . . ?
C42 C41 C40 121.9(10) . . ?
C41 C42 C44 120.9(9) . . ?
C38 C44 C42 117.6(8) . . ?
C38 C44 C43 122.2(9) . . ?
C42 C44 C43 120.1(8) . . ?
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
Pb1 N2 2.346(5) . ?
Pb1 N1 2.405(5) . ?
Pb1 Cl1 2.6186(16) . ?
Pb1 C1 2.803(8) . ?
Pb1 Cl1 3.0365(17) 2_666 ?
Cl1 Pb1 3.0365(17) 2_666 ?
N1 C1 1.338(8) . ?
N1 C2 1.417(7) . ?
N2 C1 1.340(8) . ?
N2 C14 1.429(8) . ?
N3 C1 1.376(9) . ?
N3 C26 1.448(8) . ?
C2 C7 1.407(8) . ?
C2 C3 1.409(9) . ?
C3 C4 1.389(8) . ?
C3 C8 1.526(8) . ?
C4 C5 1.376(9) . ?
C5 C6 1.369(9) . ?
C6 C7 1.385(9) . ?
C7 C11 1.529(9) . ?
C8 C10 1.531(9) . ?
C8 C9 1.534(10) . ?
C11 C12 1.524(8) . ?
C11 C13 1.537(9) . ?
C14 C19 1.403(8) . ?
C14 C15 1.405(8) . ?
C15 C16 1.402(9) . ?
C15 C20 1.524(9) . ?
C16 C17 1.371(9) . ?
C17 C18 1.371(9) . ?
C18 C19 1.387(9) . ?
C19 C23 1.510(9) . ?
C20 C21 1.520(10) . ?
C20 C22 1.530(8) . ?
C23 C24 1.517(10) . ?
C23 C25 1.536(10) . ?
C26 C27 1.393(9) . ?
C26 C31 1.401(8) . ?
C27 C28 1.382(9) . ?
C27 C32 1.516(9) . ?
C28 C29 1.379(9) . ?
C29 C30 1.399(9) . ?
C30 C31 1.378(9) . ?
C31 C35 1.518(9) . ?
C32 C34 1.513(9) . ?
C32 C33 1.533(9) . ?
C35 C37 1.540(9) . ?
C35 C36 1.552(9) . ?
C38 C44 1.372(10) . ?
C38 C39 1.393(10) . ?
C39 C40 1.373(12) . ?
C40 C41 1.371(12) . ?
C41 C42 1.362(11) . ?
C42 C44 1.383(12) . ?
C43 C44 1.495(10) . ?
