#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:03:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178766 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/20/4102015.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_4102015
loop_
_publ_author_name
'Sergey N. Semenov'
'Olivier Blacque'
'Thomas Fox'
'Koushik Venkatesan'
'Heinz Berke'
_publ_section_title
;
 Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3115
_journal_page_last               3127
_journal_paper_doi               10.1021/ja909764x
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C60 H48 Cl2 O4 P4 W2, C6 H6'
_chemical_formula_sum            'C66 H54 Cl2 O4 P4 W2'
_chemical_formula_weight         1473.55
_chemical_name_systematic
;
[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}
chlorotungsten)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2009-11-16 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.7816(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.9296(2)
_cell_length_b                   12.9619(2)
_cell_length_c                   20.4535(2)
_cell_measurement_reflns_used    34489
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      32.7203
_cell_measurement_theta_min      2.1868
_cell_volume                     6601.45(13)
_computing_cell_refinement
' CrysAlisPro Software, Oxford Diffraction Ltd., Version 1.171.31'
_computing_data_collection
' CrysAlisPro Software, Oxford Diffraction Ltd., Version 1.171.31'
_computing_data_reduction
' CrysAlisPro Software, Oxford Diffraction Ltd., Version 1.171.31'
_computing_molecular_graphics
; ORTEP-3 for Windows, Version 1.08.
  Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
;
_computing_publication_material
; WinGX - An integrated system of Windows programs for the solution,
 refinment and analysis of single crystal X-ray diffraction data,
 Version 1.70.01.
 Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
 SHELXL97. Program for crystal structure refinement.
 Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
 PLATON for Windows, Version 1.12.
 Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13. 
;
_computing_structure_refinement
; SHELXL97. Program for crystal structure refinement.
  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_computing_structure_solution
; SHELXS97. Program for Crystal Structure solution.
  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.  
;
_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type
; Oxford Diffraction (2007). Oxford Diffraction Ltd., 
Xcalibur CCD system
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            65770
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.52
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  80
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    3.703
_exptl_absorpt_correction_T_max  0.793
_exptl_absorpt_correction_T_min  0.460
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
R.C. Clark and J.S. Reid, Acta Cryst. 1995, A51, 887-897
implemented in the CrysAlis Software system, Oxford Diffraction Ltd.,
Version 1.171.31.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.061
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         10007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ\^2\^(Fo\^2\^)+(0.0531P)\^2\^] where P=(Fo\^2\^+2Fc\^2\^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                7738
_reflns_number_total             10007
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja909764x_si_007.cif
_cod_data_source_block           7
_cod_original_cell_volume        6601.46(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4102015
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
W1 W 0.152637(4) 0.710450(9) 0.271951(5) 0.02759(5) Uani 1 1 d . . .
Cl1 Cl 0.25214(3) 0.70569(6) 0.29514(4) 0.03814(17) Uani 1 1 d . . .
P1 P 0.17215(3) 0.82309(7) 0.17409(4) 0.02969(15) Uani 1 1 d . . .
P2 P 0.16127(3) 0.88560(6) 0.32562(3) 0.02953(16) Uani 1 1 d . . .
C1 C 0.15874(12) 0.5751(3) 0.22321(16) 0.0395(7) Uani 1 1 d . . .
O1 O 0.16102(11) 0.4991(2) 0.19539(15) 0.0676(8) Uani 1 1 d . . .
C2 C 0.13883(13) 0.6394(3) 0.35744(16) 0.0415(7) Uani 1 1 d . . .
O2 O 0.12687(12) 0.6000(2) 0.40490(12) 0.0634(8) Uani 1 1 d . . .
C3 C 0.17653(12) 0.9572(2) 0.20279(14) 0.0340(6) Uani 1 1 d . . .
H3A H 0.1978 0.9973 0.1735 0.044 Uiso 1 1 calc R . .
H3B H 0.1408 0.9871 0.2024 0.044 Uiso 1 1 calc R . .
C4 C 0.20221(11) 0.9616(2) 0.27201(13) 0.0335(6) Uani 1 1 d . . .
H4A H 0.2042 1.0325 0.2871 0.044 Uiso 1 1 calc R . .
H4B H 0.2384 0.9339 0.2724 0.044 Uiso 1 1 calc R . .
C5 C 0.12194(12) 0.8288(3) 0.10627(14) 0.0338(6) Uani 1 1 d . . .
C6 C 0.08307(14) 0.7526(3) 0.09887(17) 0.0464(8) Uani 1 1 d . . .
H6 H 0.0838 0.6962 0.1270 0.060 Uiso 1 1 calc R . .
C7 C 0.04280(16) 0.7603(4) 0.04929(19) 0.0610(11) Uani 1 1 d . . .
H7 H 0.0169 0.7089 0.0443 0.079 Uiso 1 1 calc R . .
C8 C 0.04141(15) 0.8432(4) 0.00810(17) 0.0561(10) Uani 1 1 d . . .
H8 H 0.0139 0.8490 -0.0241 0.073 Uiso 1 1 calc R . .
C9 C 0.08045(14) 0.9183(3) 0.01380(16) 0.0496(9) Uani 1 1 d . . .
H9 H 0.0800 0.9734 -0.0154 0.065 Uiso 1 1 calc R . .
C10 C 0.12060(13) 0.9116(3) 0.06329(14) 0.0396(7) Uani 1 1 d . . .
H10 H 0.1466 0.9628 0.0676 0.051 Uiso 1 1 calc R . .
C11 C 0.23480(12) 0.8008(2) 0.13426(15) 0.0341(7) Uani 1 1 d . . .
C12 C 0.23963(14) 0.7109(3) 0.09816(17) 0.0418(8) Uani 1 1 d . . .
H12 H 0.2114 0.6639 0.0956 0.054 Uiso 1 1 calc R . .
C13 C 0.28620(16) 0.6903(3) 0.06572(19) 0.0508(9) Uani 1 1 d . . .
H13 H 0.2889 0.6298 0.0417 0.066 Uiso 1 1 calc R . .
C14 C 0.32830(15) 0.7592(4) 0.0691(2) 0.0547(10) Uani 1 1 d . . .
H14 H 0.3592 0.7460 0.0467 0.071 Uiso 1 1 calc R . .
C15 C 0.32428(15) 0.8487(4) 0.1063(2) 0.0631(11) Uani 1 1 d . . .
H15 H 0.3529 0.8948 0.1093 0.082 Uiso 1 1 calc R . .
C16 C 0.27751(14) 0.8698(3) 0.13896(19) 0.0523(9) Uani 1 1 d . . .
H16 H 0.2750 0.9296 0.1637 0.068 Uiso 1 1 calc R . .
C17 C 0.10048(12) 0.9633(2) 0.33217(13) 0.0335(6) Uani 1 1 d . . .
C18 C 0.05200(13) 0.9146(3) 0.34211(16) 0.0429(8) Uani 1 1 d . . .
H18 H 0.0509 0.8432 0.3464 0.056 Uiso 1 1 calc R . .
C19 C 0.00445(14) 0.9723(3) 0.34570(17) 0.0532(10) Uani 1 1 d . . .
H19 H -0.0279 0.9394 0.3527 0.069 Uiso 1 1 calc R . .
C20 C 0.00630(15) 1.0769(3) 0.33884(17) 0.0547(10) Uani 1 1 d . . .
H20 H -0.0251 1.1154 0.3399 0.071 Uiso 1 1 calc R . .
C21 C 0.05511(17) 1.1262(3) 0.33018(18) 0.0547(9) Uani 1 1 d . . .
H21 H 0.0563 1.1977 0.3267 0.071 Uiso 1 1 calc R . .
C22 C 0.10196(14) 1.0691(3) 0.32672(16) 0.0445(8) Uani 1 1 d . . .
H22 H 0.1344 1.1024 0.3207 0.058 Uiso 1 1 calc R . .
C23 C 0.19364(12) 0.8898(2) 0.40739(14) 0.0330(6) Uani 1 1 d . . .
C24 C 0.16542(15) 0.8535(3) 0.45977(16) 0.0478(8) Uani 1 1 d . . .
H24 H 0.1302 0.8308 0.4526 0.062 Uiso 1 1 calc R . .
C25 C 0.18932(17) 0.8510(3) 0.52277(16) 0.0546(10) Uani 1 1 d . . .
H25 H 0.1703 0.8266 0.5576 0.071 Uiso 1 1 calc R . .
C26 C 0.24119(17) 0.8848(3) 0.53273(17) 0.0552(10) Uani 1 1 d . . .
H26 H 0.2572 0.8840 0.5747 0.072 Uiso 1 1 calc R . .
C27 C 0.26943(16) 0.9195(3) 0.48208(18) 0.0600(11) Uani 1 1 d . . .
H27 H 0.3046 0.9419 0.4899 0.078 Uiso 1 1 calc R . .
C28 C 0.24643(14) 0.9221(3) 0.41824(16) 0.0473(8) Uani 1 1 d . . .
H28 H 0.2662 0.9450 0.3837 0.061 Uiso 1 1 calc R . .
C29 C 0.07886(13) 0.7074(2) 0.25752(14) 0.0318(6) Uani 1 1 d . . .
C30 C 0.02494(13) 0.7016(2) 0.25213(16) 0.0357(7) Uani 1 1 d . . .
C31 C 0.0484(5) 0.5674(9) 0.5609(4) 0.160(3) Uani 0.50 1 d PG . .
H31 H 0.0466 0.5366 0.5197 0.208 Uiso 0.50 1 calc PR . .
C32 C 0.0863(4) 0.6438(9) 0.5752(6) 0.160(3) Uani 0.50 1 d PG . .
H32 H 0.1098 0.6641 0.5437 0.208 Uiso 0.50 1 calc PR . .
C33 C 0.0891(4) 0.6897(7) 0.6367(7) 0.160(3) Uani 0.50 1 d PG . .
H33 H 0.1145 0.7408 0.6463 0.208 Uiso 0.50 1 calc PR . .
C34 C 0.0540(5) 0.6594(9) 0.6838(4) 0.160(3) Uani 0.50 1 d PG . .
H34 H 0.0558 0.6901 0.7249 0.208 Uiso 0.50 1 calc PR . .
C35 C 0.0161(4) 0.5830(9) 0.6694(5) 0.160(3) Uani 0.50 1 d PG . .
H35 H -0.0074 0.5627 0.7010 0.208 Uiso 0.50 1 calc PR . .
C36 C 0.0133(4) 0.5370(7) 0.6080(7) 0.160(3) Uani 0.50 1 d PG . .
H36 H -0.0121 0.4859 0.5984 0.208 Uiso 0.50 1 calc PR . .
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'
O O 0.0106 0.0060 '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'
W W -0.8490 6.8722 '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
C29 W1 C2 85.34(13) . . ?
C29 W1 C1 90.06(12) . . ?
C2 W1 C1 92.92(13) . . ?
C29 W1 Cl1 176.86(9) . . ?
C2 W1 Cl1 91.93(9) . . ?
C1 W1 Cl1 88.54(9) . . ?
C29 W1 P2 98.71(9) . . ?
C2 W1 P2 92.76(10) . . ?
C1 W1 P2 169.91(9) . . ?
Cl1 W1 P2 82.94(2) . . ?
C29 W1 P1 96.50(9) . . ?
C2 W1 P1 171.82(10) . . ?
C1 W1 P1 95.05(10) . . ?
Cl1 W1 P1 86.42(3) . . ?
P2 W1 P1 79.08(2) . . ?
C11 P1 C5 103.78(14) . . ?
C11 P1 C3 104.74(14) . . ?
C5 P1 C3 103.45(14) . . ?
C11 P1 W1 117.54(10) . . ?
C5 P1 W1 118.11(11) . . ?
C3 P1 W1 107.62(9) . . ?
C23 P2 C4 107.44(13) . . ?
C23 P2 C17 104.34(13) . . ?
C4 P2 C17 103.67(14) . . ?
C23 P2 W1 116.78(10) . . ?
C4 P2 W1 105.23(10) . . ?
C17 P2 W1 118.23(10) . . ?
O1 C1 W1 178.5(3) . . ?
O2 C2 W1 174.8(3) . . ?
C4 C3 P1 110.3(2) . . ?
C4 C3 H3A 109.6 . . ?
P1 C3 H3A 109.6 . . ?
C4 C3 H3B 109.6 . . ?
P1 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
C3 C4 P2 108.4(2) . . ?
C3 C4 H4A 110.0 . . ?
P2 C4 H4A 110.0 . . ?
C3 C4 H4B 110.0 . . ?
P2 C4 H4B 110.0 . . ?
H4A C4 H4B 108.4 . . ?
C6 C5 C10 119.1(3) . . ?
C6 C5 P1 120.3(3) . . ?
C10 C5 P1 120.5(2) . . ?
C5 C6 C7 120.2(4) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C6 120.1(4) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 120.5(3) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C10 119.8(3) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C5 C10 C9 120.3(3) . . ?
C5 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 C16 119.4(3) . . ?
C12 C11 P1 118.0(2) . . ?
C16 C11 P1 122.5(3) . . ?
C11 C12 C13 120.7(3) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 119.5(3) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C14 C15 C16 120.5(4) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 119.6(4) . . ?
C11 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C22 C17 C18 119.5(3) . . ?
C22 C17 P2 121.1(3) . . ?
C18 C17 P2 119.4(3) . . ?
C17 C18 C19 120.6(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 119.3(4) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C19 C20 C21 120.2(4) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C17 C22 C21 120.1(4) . . ?
C17 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C28 C23 C24 119.3(3) . . ?
C28 C23 P2 122.0(2) . . ?
C24 C23 P2 118.6(2) . . ?
C23 C24 C25 120.7(4) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C26 C25 C24 119.2(4) . . ?
C26 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C27 C26 C25 120.9(3) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C26 C27 C28 121.0(4) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C23 C28 C27 118.9(3) . . ?
C23 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C30 C29 W1 175.1(3) . . ?
C30 C30 C29 176.7(2) 2 . ?
C32 C31 C36 120.0 . . ?
C32 C31 H31 120.0 . . ?
C36 C31 H31 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C31 120.0 . . ?
C35 C36 H36 120.0 . . ?
C31 C36 H36 120.0 . . ?
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
W1 C29 1.849(3) . ?
W1 C2 2.021(3) . ?
W1 C1 2.027(3) . ?
W1 Cl1 2.5037(7) . ?
W1 P2 2.5263(8) . ?
W1 P1 2.5434(8) . ?
P1 C11 1.819(3) . ?
P1 C5 1.824(3) . ?
P1 C3 1.837(3) . ?
P2 C23 1.822(3) . ?
P2 C4 1.823(3) . ?
P2 C17 1.830(3) . ?
C1 O1 1.141(4) . ?
C2 O2 1.149(4) . ?
C3 C4 1.526(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.387(5) . ?
C5 C10 1.387(5) . ?
C6 C7 1.396(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.365(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.377(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.391(4) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.387(4) . ?
C11 C16 1.390(5) . ?
C12 C13 1.391(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.377(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.394(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.399(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C22 1.377(5) . ?
C17 C18 1.387(4) . ?
C18 C19 1.406(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.364(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.393(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.387(5) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C28 1.388(4) . ?
C23 C24 1.392(5) . ?
C24 C25 1.394(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.371(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.357(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.401(5) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.346(4) . ?
C30 C30 1.242(6) 2 ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C31 H31 0.9300 . ?
C32 C33 1.3900 . ?
C32 H32 0.9300 . ?
C33 C34 1.3900 . ?
C33 H33 0.9300 . ?
C34 C35 1.3900 . ?
C34 H34 0.9300 . ?
C35 C36 1.3900 . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
