#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:37:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179119 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/81/4308156.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_4308156
loop_
_publ_author_name
'José Vicente'
'Pablo González-Herrero'
'María Pérez-Cadenas'
'Peter G. Jones'
'Delia Bautista'
_publ_section_title
;
Synthesis, Structure, and Luminescence of Di- and Trinuclear Palladium/Gold
and Platinum/Gold Complexes with
(2,7-Di-tert-butylfluoren-9-ylidene)methanedithiolate,1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4718
_journal_page_last               4732
_journal_paper_doi               10.1021/ic070164h
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C80 H114 Au2 P2 Pd S4'
_chemical_formula_weight         1766.22
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.012(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.5339(4)
_cell_length_b                   15.1567(7)
_cell_length_c                   26.6961(12)
_cell_measurement_reflns_used    7216
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.99
_cell_measurement_theta_min      2.52
_cell_volume                     3855.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       ω-scan
_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  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            42056
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    4.218
_exptl_absorpt_correction_T_max  0.7859
_exptl_absorpt_correction_T_min  0.3743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.933
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    'rigid methyls, others riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         7866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0252P)²+1.7273P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0518
_reflns_number_gt                7129
_reflns_number_total             7866
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070164h-file003_2.cif
_cod_data_source_block           mpd127as
_cod_database_code               4308156
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Au1 Au 0.795247(10) 0.350366(7) 0.519283(4) 0.01275(4) Uani 1 1 d . . .
Pd2 Pd 1.0000 0.5000 0.5000 0.01083(7) Uani 1 2 d S . .
S1 S 0.91885(7) 0.58490(4) 0.56564(2) 0.01416(14) Uani 1 1 d . . .
S2 S 0.98657(7) 0.40303(4) 0.56719(2) 0.01155(13) Uani 1 1 d . . .
P1 P 0.61987(7) 0.29129(5) 0.47079(3) 0.01335(14) Uani 1 1 d . . .
C1 C 0.8384(3) 0.30903(18) 0.66107(10) 0.0136(5) Uani 1 1 d . . .
H1 H 0.8816 0.2946 0.6306 0.016 Uiso 1 1 calc R . .
C2 C 0.7886(3) 0.24191(18) 0.69109(10) 0.0139(6) Uani 1 1 d . . .
C3 C 0.7266(3) 0.26527(18) 0.73630(10) 0.0175(6) Uani 1 1 d . . .
H3 H 0.6934 0.2200 0.7575 0.021 Uiso 1 1 calc R . .
C4 C 0.7128(3) 0.35208(18) 0.75064(11) 0.0175(6) Uani 1 1 d . . .
H4 H 0.6704 0.3661 0.7813 0.021 Uiso 1 1 calc R . .
C4A C 0.7609(3) 0.41884(18) 0.72017(10) 0.0145(6) Uani 1 1 d . . .
C4B C 0.7542(3) 0.51485(17) 0.72476(10) 0.0129(5) Uani 1 1 d . . .
C5 C 0.7006(3) 0.56890(18) 0.76124(10) 0.0166(6) Uani 1 1 d . . .
H5 H 0.6587 0.5439 0.7897 0.020 Uiso 1 1 calc R . .
C6 C 0.7083(3) 0.65928(18) 0.75606(11) 0.0175(6) Uani 1 1 d . . .
H6 H 0.6698 0.6958 0.7810 0.021 Uiso 1 1 calc R . .
C7 C 0.7714(3) 0.69893(18) 0.71488(10) 0.0145(6) Uani 1 1 d . . .
C8 C 0.8237(3) 0.64397(17) 0.67803(10) 0.0133(6) Uani 1 1 d . . .
H8 H 0.8656 0.6693 0.6496 0.016 Uiso 1 1 calc R . .
C8A C 0.8153(3) 0.55230(18) 0.68226(10) 0.0121(5) Uani 1 1 d . . .
C9 C 0.8616(3) 0.48079(17) 0.64942(10) 0.0119(5) Uani 1 1 d . . .
C9A C 0.8258(3) 0.39788(18) 0.67513(10) 0.0126(5) Uani 1 1 d . . .
C10 C 0.9125(3) 0.49023(17) 0.60297(10) 0.0118(5) Uani 1 1 d . . .
C11 C 0.8024(3) 0.14469(17) 0.67699(11) 0.0162(6) Uani 1 1 d . . .
C12 C 0.6579(3) 0.1000(2) 0.67693(12) 0.0244(7) Uani 1 1 d . . .
H12A H 0.6207 0.1030 0.7106 0.037 Uiso 1 1 calc R . .
H12B H 0.6671 0.0382 0.6669 0.037 Uiso 1 1 calc R . .
H12C H 0.5937 0.1305 0.6532 0.037 Uiso 1 1 calc R . .
C13 C 0.8610(4) 0.1322(2) 0.62474(12) 0.0288(8) Uani 1 1 d . . .
H13A H 0.8010 0.1631 0.5999 0.043 Uiso 1 1 calc R . .
H13B H 0.8633 0.0692 0.6166 0.043 Uiso 1 1 calc R . .
H13C H 0.9564 0.1563 0.6243 0.043 Uiso 1 1 calc R . .
C14 C 0.9022(3) 0.0990(2) 0.71532(12) 0.0269(7) Uani 1 1 d . . .
H14A H 0.9942 0.1278 0.7154 0.040 Uiso 1 1 calc R . .
H14B H 0.9124 0.0367 0.7062 0.040 Uiso 1 1 calc R . .
H14C H 0.8636 0.1032 0.7488 0.040 Uiso 1 1 calc R . .
C15 C 0.7824(3) 0.79987(19) 0.71236(10) 0.0163(6) Uani 1 1 d . . .
C16 C 0.6352(3) 0.83988(19) 0.71653(12) 0.0243(7) Uani 1 1 d . . .
H16A H 0.6417 0.9044 0.7155 0.036 Uiso 1 1 calc R . .
H16B H 0.5954 0.8216 0.7483 0.036 Uiso 1 1 calc R . .
H16C H 0.5747 0.8192 0.6885 0.036 Uiso 1 1 calc R . .
C17 C 0.8450(4) 0.83157(19) 0.66370(12) 0.0262(7) Uani 1 1 d . . .
H17A H 0.8461 0.8962 0.6631 0.039 Uiso 1 1 calc R . .
H17B H 0.7881 0.8096 0.6351 0.039 Uiso 1 1 calc R . .
H17C H 0.9412 0.8093 0.6617 0.039 Uiso 1 1 calc R . .
C18 C 0.8754(3) 0.83239(19) 0.75655(12) 0.0241(7) Uani 1 1 d . . .
H18A H 0.9712 0.8103 0.7531 0.036 Uiso 1 1 calc R . .
H18B H 0.8380 0.8106 0.7880 0.036 Uiso 1 1 calc R . .
H18C H 0.8763 0.8970 0.7569 0.036 Uiso 1 1 calc R . .
C21 C 0.4580(3) 0.27759(18) 0.50552(10) 0.0156(6) Uani 1 1 d . . .
H21 H 0.4271 0.3383 0.5149 0.019 Uiso 1 1 calc R . .
C22 C 0.4847(3) 0.2275(2) 0.55508(11) 0.0223(7) Uani 1 1 d . . .
H22A H 0.5158 0.1666 0.5479 0.027 Uiso 1 1 calc R . .
H22B H 0.5604 0.2572 0.5751 0.027 Uiso 1 1 calc R . .
C23 C 0.3512(3) 0.2245(2) 0.58516(12) 0.0289(8) Uani 1 1 d . . .
H23A H 0.3687 0.1887 0.6158 0.035 Uiso 1 1 calc R . .
H23B H 0.3267 0.2850 0.5957 0.035 Uiso 1 1 calc R . .
C24 C 0.2285(3) 0.1850(2) 0.55462(13) 0.0305(8) Uani 1 1 d . . .
H24A H 0.2484 0.1223 0.5475 0.037 Uiso 1 1 calc R . .
H24B H 0.1427 0.1877 0.5744 0.037 Uiso 1 1 calc R . .
C25 C 0.2034(3) 0.2340(2) 0.50582(12) 0.0263(7) Uani 1 1 d . . .
H25A H 0.1732 0.2951 0.5130 0.032 Uiso 1 1 calc R . .
H25B H 0.1270 0.2047 0.4860 0.032 Uiso 1 1 calc R . .
C26 C 0.3354(3) 0.2364(2) 0.47525(11) 0.0194(6) Uani 1 1 d . . .
H26A H 0.3170 0.2713 0.4443 0.023 Uiso 1 1 calc R . .
H26B H 0.3606 0.1757 0.4653 0.023 Uiso 1 1 calc R . .
C31 C 0.6709(3) 0.18022(18) 0.44907(11) 0.0162(6) Uani 1 1 d . . .
H31 H 0.6412 0.1381 0.4755 0.019 Uiso 1 1 calc R . .
C32 C 0.8308(3) 0.16967(19) 0.44619(12) 0.0206(6) Uani 1 1 d . . .
H32A H 0.8658 0.2100 0.4203 0.025 Uiso 1 1 calc R . .
H32B H 0.8759 0.1866 0.4788 0.025 Uiso 1 1 calc R . .
C33 C 0.8717(3) 0.07518(19) 0.43360(12) 0.0234(7) Uani 1 1 d . . .
H33A H 0.8475 0.0358 0.4616 0.028 Uiso 1 1 calc R . .
H33B H 0.9744 0.0720 0.4297 0.028 Uiso 1 1 calc R . .
C34 C 0.7964(3) 0.0433(2) 0.38526(11) 0.0219(6) Uani 1 1 d . . .
H34A H 0.8293 0.0779 0.3565 0.026 Uiso 1 1 calc R . .
H34B H 0.8193 -0.0195 0.3795 0.026 Uiso 1 1 calc R . .
C35 C 0.6376(3) 0.0540(2) 0.38896(11) 0.0223(7) Uani 1 1 d . . .
H35A H 0.5908 0.0354 0.3570 0.027 Uiso 1 1 calc R . .
H35B H 0.6039 0.0152 0.4158 0.027 Uiso 1 1 calc R . .
C36 C 0.5982(3) 0.14925(19) 0.40020(11) 0.0195(6) Uani 1 1 d . . .
H36A H 0.4952 0.1539 0.4030 0.023 Uiso 1 1 calc R . .
H36B H 0.6263 0.1877 0.3723 0.023 Uiso 1 1 calc R . .
C41 C 0.5746(3) 0.36240(18) 0.41674(10) 0.0157(6) Uani 1 1 d . . .
H41 H 0.4987 0.3334 0.3958 0.019 Uiso 1 1 calc R . .
C42 C 0.5210(3) 0.45161(19) 0.43544(11) 0.0200(6) Uani 1 1 d . . .
H42A H 0.4331 0.4423 0.4534 0.024 Uiso 1 1 calc R . .
H42B H 0.5913 0.4772 0.4594 0.024 Uiso 1 1 calc R . .
C43 C 0.4933(3) 0.5163(2) 0.39255(11) 0.0222(7) Uani 1 1 d . . .
H43A H 0.4154 0.4937 0.3706 0.027 Uiso 1 1 calc R . .
H43B H 0.4640 0.5737 0.4064 0.027 Uiso 1 1 calc R . .
C44 C 0.6223(3) 0.5298(2) 0.36151(12) 0.0283(7) Uani 1 1 d . . .
H44A H 0.5992 0.5698 0.3331 0.034 Uiso 1 1 calc R . .
H44B H 0.6981 0.5574 0.3824 0.034 Uiso 1 1 calc R . .
C45 C 0.6722(4) 0.4415(2) 0.34174(12) 0.0298(8) Uani 1 1 d . . .
H45A H 0.7577 0.4506 0.3224 0.036 Uiso 1 1 calc R . .
H45B H 0.5988 0.4163 0.3188 0.036 Uiso 1 1 calc R . .
C46 C 0.7043(3) 0.3764(2) 0.38438(11) 0.0212(6) Uani 1 1 d . . .
H46A H 0.7832 0.3992 0.4057 0.025 Uiso 1 1 calc R . .
H46B H 0.7333 0.3192 0.3702 0.025 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 0.0000 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 S2 175.80(2) . . ?
P1 Au1 Pd2 131.494(18) . . ?
S2 Au1 Pd2 49.045(16) . . ?
S2 Pd2 S2 180.0 3_766 . ?
S2 Pd2 S1 74.94(2) 3_766 3_766 ?
S2 Pd2 S1 105.06(2) . 3_766 ?
S2 Pd2 S1 105.06(2) 3_766 . ?
S2 Pd2 S1 74.94(2) . . ?
S1 Pd2 S1 180.00(2) 3_766 . ?
S2 Pd2 Au1 49.205(16) 3_766 3_766 ?
S2 Pd2 Au1 130.795(16) . 3_766 ?
S1 Pd2 Au1 93.005(17) 3_766 3_766 ?
S1 Pd2 Au1 86.995(17) . 3_766 ?
S2 Pd2 Au1 130.795(16) 3_766 . ?
S2 Pd2 Au1 49.205(16) . . ?
S1 Pd2 Au1 86.995(17) 3_766 . ?
S1 Pd2 Au1 93.005(17) . . ?
Au1 Pd2 Au1 180.0 3_766 . ?
C10 S1 Pd2 89.68(9) . . ?
C10 S2 Pd2 88.76(9) . . ?
C10 S2 Au1 103.28(9) . . ?
Pd2 S2 Au1 81.75(2) . . ?
C21 P1 C41 106.47(13) . . ?
C21 P1 C31 106.84(13) . . ?
C41 P1 C31 110.12(13) . . ?
C21 P1 Au1 111.86(9) . . ?
C41 P1 Au1 111.40(9) . . ?
C31 P1 Au1 109.99(9) . . ?
C2 C1 C9A 120.9(2) . . ?
C1 C2 C3 118.2(2) . . ?
C1 C2 C11 122.0(2) . . ?
C3 C2 C11 119.8(2) . . ?
C4 C3 C2 121.7(2) . . ?
C3 C4 C4A 119.8(3) . . ?
C4 C4A C9A 120.1(3) . . ?
C4 C4A C4B 131.4(3) . . ?
C9A C4A C4B 108.5(2) . . ?
C5 C4B C8A 120.0(2) . . ?
C5 C4B C4A 131.8(2) . . ?
C8A C4B C4A 108.2(2) . . ?
C6 C5 C4B 119.7(3) . . ?
C5 C6 C7 121.9(3) . . ?
C8 C7 C6 118.0(2) . . ?
C8 C7 C15 122.5(2) . . ?
C6 C7 C15 119.5(2) . . ?
C7 C8 C8A 121.0(2) . . ?
C8 C8A C4B 119.4(2) . . ?
C8 C8A C9 131.7(2) . . ?
C4B C8A C9 108.9(2) . . ?
C10 C9 C8A 126.3(2) . . ?
C10 C9 C9A 127.6(2) . . ?
C8A C9 C9A 105.7(2) . . ?
C1 C9A C4A 119.3(2) . . ?
C1 C9A C9 131.9(2) . . ?
C4A C9A C9 108.7(2) . . ?
C9 C10 S1 128.9(2) . . ?
C9 C10 S2 124.8(2) . . ?
S1 C10 S2 106.22(14) . . ?
C2 C11 C13 112.4(2) . . ?
C2 C11 C12 109.9(2) . . ?
C13 C11 C12 107.5(2) . . ?
C2 C11 C14 109.1(2) . . ?
C13 C11 C14 108.3(3) . . ?
C12 C11 C14 109.6(2) . . ?
C17 C15 C18 108.7(2) . . ?
C17 C15 C7 112.4(2) . . ?
C18 C15 C7 109.0(2) . . ?
C17 C15 C16 108.8(2) . . ?
C18 C15 C16 108.8(2) . . ?
C7 C15 C16 109.0(2) . . ?
C26 C21 C22 110.7(2) . . ?
C26 C21 P1 114.73(19) . . ?
C22 C21 P1 111.86(19) . . ?
C23 C22 C21 110.5(2) . . ?
C24 C23 C22 111.6(3) . . ?
C25 C24 C23 111.3(3) . . ?
C24 C25 C26 111.4(2) . . ?
C25 C26 C21 110.9(2) . . ?
C36 C31 C32 110.3(2) . . ?
C36 C31 P1 115.46(19) . . ?
C32 C31 P1 112.48(19) . . ?
C33 C32 C31 111.7(2) . . ?
C32 C33 C34 111.5(2) . . ?
C35 C34 C33 110.4(2) . . ?
C36 C35 C34 111.3(2) . . ?
C35 C36 C31 110.5(2) . . ?
C42 C41 C46 110.0(2) . . ?
C42 C41 P1 109.42(19) . . ?
C46 C41 P1 110.40(19) . . ?
C43 C42 C41 111.9(2) . . ?
C44 C43 C42 112.0(2) . . ?
C45 C44 C43 109.8(3) . . ?
C44 C45 C46 111.5(3) . . ?
C45 C46 C41 111.2(2) . . ?
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
Au1 P1 2.2630(7) . ?
Au1 S2 2.3316(7) . ?
Au1 Pd2 3.04793(14) . ?
Pd2 S2 2.3259(6) 3_766 ?
Pd2 S2 2.3259(6) . ?
Pd2 S1 2.3282(7) 3_766 ?
Pd2 S1 2.3282(7) . ?
Pd2 Au1 3.04792(14) 3_766 ?
S1 C10 1.749(3) . ?
S2 C10 1.790(3) . ?
P1 C21 1.840(3) . ?
P1 C41 1.840(3) . ?
P1 C31 1.851(3) . ?
C1 C2 1.389(4) . ?
C1 C9A 1.404(4) . ?
C2 C3 1.408(4) . ?
C2 C11 1.528(4) . ?
C3 C4 1.378(4) . ?
C4 C4A 1.386(4) . ?
C4A C9A 1.408(4) . ?
C4A C4B 1.462(4) . ?
C4B C5 1.384(4) . ?
C4B C8A 1.412(4) . ?
C5 C6 1.379(4) . ?
C6 C7 1.406(4) . ?
C7 C8 1.395(4) . ?
C7 C15 1.535(4) . ?
C8 C8A 1.396(4) . ?
C8A C9 1.471(4) . ?
C9 C10 1.355(4) . ?
C9 C9A 1.477(4) . ?
C11 C13 1.532(4) . ?
C11 C12 1.535(4) . ?
C11 C14 1.537(4) . ?
C15 C17 1.526(4) . ?
C15 C18 1.532(4) . ?
C15 C16 1.536(4) . ?
C21 C26 1.530(4) . ?
C21 C22 1.539(4) . ?
C22 C23 1.529(4) . ?
C23 C24 1.524(5) . ?
C24 C25 1.511(4) . ?
C25 C26 1.524(4) . ?
C31 C36 1.530(4) . ?
C31 C32 1.537(4) . ?
C32 C33 1.525(4) . ?
C33 C34 1.533(4) . ?
C34 C35 1.529(4) . ?
C35 C36 1.525(4) . ?
C41 C42 1.535(4) . ?
C41 C46 1.547(4) . ?
C42 C43 1.523(4) . ?
C43 C44 1.521(4) . ?
C44 C45 1.521(4) . ?
C45 C46 1.529(4) . ?
