#------------------------------------------------------------------------------
#$Date: 2020-05-05 16:21:16 +0300 (Tue, 05 May 2020) $
#$Revision: 251629 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/38/7703872.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_7703872
loop_
_publ_author_name
'Hanf, Schirin'
'Colebatch, Annie L.'
'Stehr, Philipp'
'García-Rodríguez, Raúl'
'Hey-Hawkins, Evamarie'
'Wright, Dominic S.'
_publ_section_title
;
 An experimental and theoretical study of the coordination and donor
 properties of tris-2-pyridyl-phosphine ligands.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5312
_journal_page_last               5322
_journal_paper_doi               10.1039/d0dt00609b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C34 H24 N6 O4 P2 W'
_chemical_formula_sum            'C34 H24 N6 O4 P2 W'
_chemical_formula_weight         826.38
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2020-02-12 deposited with the CCDC.	2020-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.0942(2)
_cell_length_b                   10.26260(10)
_cell_length_c                   17.9547(2)
_cell_measurement_reflns_used    45292
_cell_measurement_temperature    130.00(14)
_cell_measurement_theta_max      34.8840
_cell_measurement_theta_min      3.0870
_cell_volume                     3149.81(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Diamond 4'
_computing_publication_material  SHELXL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      130.00(14)
_diffrn_detector_area_resol_mean 16.3560
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0187
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            75112
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.892
_diffrn_reflns_theta_min         2.269
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.819
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_description       block
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.1500
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         1.821
_refine_diff_density_min         -0.918
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details
; 
 Flack x determined using 5586 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.0194(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         13030
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0177
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0126P)²+1.5156P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0360
_refine_ls_wR_factor_ref         0.0369
_reflns_Friedel_coverage         0.909
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.927
_reflns_number_gt                12313
_reflns_number_total             13030
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00609b2.cif
_cod_data_source_block           added_by_encifer_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7703867--7703872.cif.'
_cod_database_code               7703872
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
loop_
_space_group_symop_operation_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'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.90318(2) 0.06688(2) 0.31619(2) 0.01071(2) Uani 1 1 d . . . . .
O1 O 0.92259(14) 0.3521(2) 0.38316(13) 0.0287(4) Uani 1 1 d . . . . .
P1 P 0.77855(3) 0.12253(6) 0.24770(3) 0.01240(10) Uani 1 1 d . . . . .
P2 P 0.84555(4) 0.01356(6) 0.44079(3) 0.01305(10) Uani 1 1 d . . . . .
O2 O 1.06457(12) -0.0330(2) 0.37635(12) 0.0294(5) Uani 1 1 d . . . . .
N1 N 0.61942(13) 0.0853(2) 0.24326(13) 0.0193(4) Uani 1 1 d . . . . .
N2 N 0.77084(13) -0.0457(2) 0.13285(13) 0.0184(4) Uani 1 1 d . . . . .
N3 N 0.82307(13) 0.3674(2) 0.23020(14) 0.0209(4) Uani 1 1 d . . . . .
O3 O 0.88838(12) -0.21607(18) 0.24556(12) 0.0224(4) Uani 1 1 d . . . . .
N4 N 0.84060(14) -0.2417(2) 0.41319(12) 0.0194(4) Uani 1 1 d . . . . .
O4 O 0.99482(12) 0.1680(2) 0.17590(12) 0.0263(4) Uani 1 1 d . . . . .
N5 N 0.71115(14) 0.1498(2) 0.42201(14) 0.0232(4) Uani 1 1 d . . . . .
N6 N 0.85554(14) 0.1939(2) 0.55153(13) 0.0191(4) Uani 1 1 d . . . . .
C7 C 0.68706(14) 0.0340(2) 0.26807(13) 0.0153(4) Uani 1 1 d . . . . .
C8 C 0.69049(14) -0.0831(2) 0.30750(18) 0.0185(5) Uani 1 1 d . . . . .
H8 H 0.7383 -0.1175 0.3225 0.022 Uiso 1 1 calc R U . . .
C9 C 0.62099(15) -0.1470(3) 0.32378(19) 0.0227(5) Uani 1 1 d . . . . .
H9 H 0.6215 -0.2263 0.3489 0.027 Uiso 1 1 calc R U . . .
C10 C 0.55075(16) -0.0911(3) 0.30215(15) 0.0255(6) Uani 1 1 d . . . . .
H10 H 0.5033 -0.1294 0.3149 0.031 Uiso 1 1 calc R U . . .
C11 C 0.55292(15) 0.0228(3) 0.26113(16) 0.0233(5) Uani 1 1 d . . . . .
H11 H 0.5058 0.0582 0.2450 0.028 Uiso 1 1 calc R U . . .
C12 C 0.79001(14) 0.0771(2) 0.14872(13) 0.0144(4) Uani 1 1 d . . . . .
C13 C 0.82325(18) 0.1619(3) 0.09644(15) 0.0227(5) Uani 1 1 d . . . . .
H13 H 0.8374 0.2462 0.1097 0.027 Uiso 1 1 calc R U . . .
C14 C 0.83458(19) 0.1172(3) 0.02438(16) 0.0261(6) Uani 1 1 d . . . . .
H14 H 0.8560 0.1714 -0.0118 0.031 Uiso 1 1 calc R U . . .
C15 C 0.81356(16) -0.0095(3) 0.00720(15) 0.0222(5) Uani 1 1 d . . . . .
H15 H 0.8199 -0.0417 -0.0408 0.027 Uiso 1 1 calc R U . . .
C16 C 0.78282(16) -0.0873(3) 0.06297(15) 0.0216(5) Uani 1 1 d . . . . .
H16 H 0.7698 -0.1729 0.0513 0.026 Uiso 1 1 calc R U . . .
C17 C 0.75702(14) 0.2989(2) 0.24058(13) 0.0148(4) Uani 1 1 d . . . . .
C18 C 0.68370(15) 0.3576(3) 0.24251(17) 0.0227(5) Uani 1 1 d . . . . .
H18 H 0.6388 0.3082 0.2500 0.027 Uiso 1 1 calc R U . . .
C19 C 0.67899(17) 0.4924(3) 0.23291(18) 0.0270(6) Uani 1 1 d . . . . .
H19 H 0.6307 0.5340 0.2340 0.032 Uiso 1 1 calc R U . . .
C20 C 0.74651(18) 0.5636(3) 0.22184(17) 0.0245(5) Uani 1 1 d . . . . .
H20 H 0.7449 0.6534 0.2152 0.029 Uiso 1 1 calc R U . . .
C21 C 0.81718(17) 0.4961(3) 0.22101(17) 0.0240(5) Uani 1 1 d . . . . .
H21 H 0.8629 0.5435 0.2136 0.029 Uiso 1 1 calc R U . . .
C22 C 0.85491(14) -0.1583(2) 0.46925(13) 0.0154(4) Uani 1 1 d . . . . .
C23 C 0.87563(16) -0.1991(3) 0.54009(14) 0.0197(5) Uani 1 1 d . . . . .
H23 H 0.8826 -0.1390 0.5783 0.024 Uiso 1 1 calc R U . . .
C24 C 0.88579(17) -0.3315(3) 0.55310(16) 0.0228(5) Uani 1 1 d . . . . .
H24 H 0.9003 -0.3613 0.6000 0.027 Uiso 1 1 calc R U . . .
C25 C 0.87408(18) -0.4181(3) 0.49538(17) 0.0228(5) Uani 1 1 d . . . . .
H25 H 0.8820 -0.5070 0.5021 0.027 Uiso 1 1 calc R U . . .
C26 C 0.85006(18) -0.3685(3) 0.42667(16) 0.0239(5) Uani 1 1 d . . . . .
H26 H 0.8401 -0.4270 0.3883 0.029 Uiso 1 1 calc R U . . .
C27 C 0.74255(14) 0.0515(2) 0.46219(14) 0.0158(4) Uani 1 1 d . . . . .
C28 C 0.70097(17) -0.0191(3) 0.51328(18) 0.0292(6) Uani 1 1 d . . . . .
H28 H 0.7249 -0.0851 0.5406 0.035 Uiso 1 1 calc R U . . .
C29 C 0.62263(19) 0.0096(4) 0.5235(2) 0.0385(8) Uani 1 1 d . . . . .
H29 H 0.5932 -0.0371 0.5579 0.046 Uiso 1 1 calc R U . . .
C30 C 0.58867(17) 0.1072(4) 0.48258(19) 0.0329(7) Uani 1 1 d . . . . .
H30 H 0.5358 0.1266 0.4881 0.039 Uiso 1 1 calc R U . . .
C31 C 0.63443(18) 0.1760(3) 0.43308(18) 0.0284(6) Uani 1 1 d . . . . .
H31 H 0.6116 0.2434 0.4061 0.034 Uiso 1 1 calc R U . . .
C32 C 0.89587(14) 0.0991(2) 0.51759(13) 0.0144(4) Uani 1 1 d . . . . .
C33 C 0.97274(15) 0.0679(3) 0.53628(14) 0.0188(5) Uani 1 1 d . . . . .
H33 H 0.9995 0.0029 0.5107 0.023 Uiso 1 1 calc R U . . .
C34 C 1.00851(15) 0.1355(3) 0.59376(15) 0.0204(5) Uani 1 1 d . . . . .
H34 H 1.0592 0.1151 0.6084 0.024 Uiso 1 1 calc R U . . .
C35 C 0.96731(15) 0.2341(3) 0.62898(14) 0.0207(5) Uani 1 1 d . . . . .
H35 H 0.9901 0.2820 0.6672 0.025 Uiso 1 1 calc R U . . .
C36 C 0.89178(16) 0.2599(3) 0.60629(16) 0.0212(5) Uani 1 1 d . . . . .
H36 H 0.8645 0.3263 0.6301 0.025 Uiso 1 1 calc R U . . .
C37 C 0.91455(15) 0.2496(3) 0.35899(15) 0.0176(4) Uani 1 1 d . . . . .
C38 C 1.00460(15) 0.0073(3) 0.35637(14) 0.0175(4) Uani 1 1 d . . . . .
C39 C 0.89138(14) -0.1155(2) 0.27275(14) 0.0150(4) Uani 1 1 d . . . . .
C40 C 0.95986(14) 0.1284(2) 0.22568(14) 0.0166(4) Uani 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'
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'
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
C38 W1 C40 88.23(10) . . ?
C38 W1 C37 93.65(10) . . ?
C40 W1 C37 88.26(10) . . ?
C38 W1 C39 86.69(10) . . ?
C40 W1 C39 91.54(10) . . ?
C37 W1 C39 179.60(11) . . ?
C38 W1 P2 87.21(8) . . ?
C40 W1 P2 171.06(7) . . ?
C37 W1 P2 84.36(8) . . ?
C39 W1 P2 95.87(7) . . ?
C38 W1 P1 171.31(7) . . ?
C40 W1 P1 86.64(7) . . ?
C37 W1 P1 93.21(7) . . ?
C39 W1 P1 86.44(7) . . ?
P2 W1 P1 98.77(2) . . ?
C7 P1 C12 99.00(11) . . ?
C7 P1 C17 109.05(11) . . ?
C12 P1 C17 101.61(11) . . ?
C7 P1 W1 120.48(8) . . ?
C12 P1 W1 108.78(8) . . ?
C17 P1 W1 114.99(8) . . ?
C22 P2 C27 103.15(11) . . ?
C22 P2 C32 101.97(11) . . ?
C27 P2 C32 100.87(11) . . ?
C22 P2 W1 114.99(8) . . ?
C27 P2 W1 121.03(8) . . ?
C32 P2 W1 112.31(8) . . ?
C11 N1 C7 117.5(2) . . ?
C12 N2 C16 117.6(2) . . ?
C21 N3 C17 118.1(2) . . ?
C26 N4 C22 117.6(2) . . ?
C27 N5 C31 117.1(3) . . ?
C32 N6 C36 117.5(2) . . ?
N1 C7 C8 122.7(2) . . ?
N1 C7 P1 118.04(19) . . ?
C8 C7 P1 119.25(19) . . ?
C9 C8 C7 118.5(2) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C10 C9 C8 119.1(3) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C11 C10 C9 118.4(2) . . ?
C11 C10 H10 120.8 . . ?
C9 C10 H10 120.8 . . ?
N1 C11 C10 123.6(3) . . ?
N1 C11 H11 118.2 . . ?
C10 C11 H11 118.2 . . ?
N2 C12 C13 122.9(2) . . ?
N2 C12 P1 114.71(18) . . ?
C13 C12 P1 122.09(19) . . ?
C14 C13 C12 118.5(3) . . ?
C14 C13 H13 120.8 . . ?
C12 C13 H13 120.8 . . ?
C15 C14 C13 118.9(3) . . ?
C15 C14 H14 120.6 . . ?
C13 C14 H14 120.6 . . ?
C14 C15 C16 118.6(2) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
N2 C16 C15 123.5(3) . . ?
N2 C16 H16 118.3 . . ?
C15 C16 H16 118.3 . . ?
N3 C17 C18 122.3(2) . . ?
N3 C17 P1 110.74(17) . . ?
C18 C17 P1 126.93(19) . . ?
C17 C18 C19 118.6(3) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
C20 C19 C18 119.6(3) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C21 117.6(3) . . ?
C19 C20 H20 121.2 . . ?
C21 C20 H20 121.2 . . ?
N3 C21 C20 123.8(3) . . ?
N3 C21 H21 118.1 . . ?
C20 C21 H21 118.1 . . ?
N4 C22 C23 122.8(2) . . ?
N4 C22 P2 112.71(18) . . ?
C23 C22 P2 124.5(2) . . ?
C22 C23 C24 118.8(2) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C25 C24 C23 119.0(3) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C24 C25 C26 118.2(3) . . ?
C24 C25 H25 120.9 . . ?
C26 C25 H25 120.9 . . ?
N4 C26 C25 123.5(3) . . ?
N4 C26 H26 118.3 . . ?
C25 C26 H26 118.3 . . ?
N5 C27 C28 123.2(2) . . ?
N5 C27 P2 115.20(19) . . ?
C28 C27 P2 121.6(2) . . ?
C27 C28 C29 118.6(3) . . ?
C27 C28 H28 120.7 . . ?
C29 C28 H28 120.7 . . ?
C30 C29 C28 119.6(3) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C29 C30 C31 118.7(3) . . ?
C29 C30 H30 120.7 . . ?
C31 C30 H30 120.7 . . ?
N5 C31 C30 122.9(3) . . ?
N5 C31 H31 118.6 . . ?
C30 C31 H31 118.6 . . ?
N6 C32 C33 122.9(2) . . ?
N6 C32 P2 116.44(18) . . ?
C33 C32 P2 120.62(19) . . ?
C34 C33 C32 118.7(2) . . ?
C34 C33 H33 120.7 . . ?
C32 C33 H33 120.7 . . ?
C35 C34 C33 118.8(2) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
C36 C35 C34 118.8(2) . . ?
C36 C35 H35 120.6 . . ?
C34 C35 H35 120.6 . . ?
N6 C36 C35 123.4(2) . . ?
N6 C36 H36 118.3 . . ?
C35 C36 H36 118.3 . . ?
O1 C37 W1 178.6(2) . . ?
O2 C38 W1 175.8(2) . . ?
O3 C39 W1 175.9(2) . . ?
O4 C40 W1 176.4(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
W1 C38 1.975(2) . ?
W1 C40 1.995(2) . ?
W1 C37 2.036(3) . ?
W1 C39 2.038(3) . ?
W1 P2 2.5049(6) . ?
W1 P1 2.5254(6) . ?
O1 C37 1.146(3) . ?
P1 C7 1.845(2) . ?
P1 C12 1.848(2) . ?
P1 C17 1.852(2) . ?
P2 C22 1.843(3) . ?
P2 C27 1.844(2) . ?
P2 C32 1.847(2) . ?
O2 C38 1.162(3) . ?
N1 C11 1.344(3) . ?
N1 C7 1.346(3) . ?
N2 C12 1.334(3) . ?
N2 C16 1.341(3) . ?
N3 C21 1.335(4) . ?
N3 C17 1.343(3) . ?
O3 C39 1.143(3) . ?
N4 C26 1.333(3) . ?
N4 C22 1.344(3) . ?
O4 C40 1.149(3) . ?
N5 C27 1.351(3) . ?
N5 C31 1.354(4) . ?
N6 C32 1.339(3) . ?
N6 C36 1.345(3) . ?
C7 C8 1.396(4) . ?
C8 C9 1.388(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.386(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.383(4) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.400(4) . ?
C13 C14 1.386(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.383(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.384(4) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.391(3) . ?
C18 C19 1.396(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.380(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.393(4) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.385(3) . ?
C23 C24 1.389(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.380(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.396(4) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.369(4) . ?
C28 C29 1.383(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.372(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.379(5) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.394(3) . ?
C33 C34 1.386(4) . ?
C33 H33 0.9300 . ?
C34 C35 1.385(4) . ?
C34 H34 0.9300 . ?
C35 C36 1.379(4) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
