#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:39:41 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185301 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/91/7039187.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_7039187
loop_
_publ_author_name
'Wang, Jian-Feng'
'Liu, Shi-Yuan'
'Liu, Chun-Yu'
'Ren, Zhi-Gang'
'Lang, Jian-Ping'
_publ_section_title
;
 Silver(i) complexes with a P-N hybrid ligand and oxyanions: synthesis,
 structures, photocatalysis and photocurrent responses.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9294
_journal_page_last               9306
_journal_paper_doi               10.1039/c6dt01211f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C38 H33 Ag N2 O3 P2'
_chemical_formula_sum            'C38 H33 Ag N2 O3 P2'
_chemical_formula_weight         735.47
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2016-01-31 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.961(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9801(5)
_cell_length_b                   17.5774(5)
_cell_length_c                   14.7617(5)
_cell_measurement_reflns_used    8708
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      28.4210
_cell_measurement_theta_min      3.7390
_cell_volume                     3409.5(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 10.4471
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω 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  0.0347
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.888
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            25868
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.888
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.416
_diffrn_reflns_theta_min         2.894
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_description       prism
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.434
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         9148
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0266P)²+1.2045P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0814
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6817
_reflns_number_total             9148
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt01211f2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7039182--7039188.cif.'
_cod_database_code               7039187
_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.
;
_shelx_estimated_absorpt_t_min   0.869
_shelx_estimated_absorpt_t_max   0.931
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Ag1 Ag 0.69431(2) 0.72975(2) 0.55190(2) 0.03340(6) Uani 1 1 d . .
P1 P 0.54169(4) 0.78589(3) 0.43243(4) 0.03040(13) Uani 1 1 d . .
P2 P 0.68747(4) 0.60646(3) 0.47748(4) 0.02953(13) Uani 1 1 d . .
O1 O 0.67883(14) 0.71970(10) 0.70986(12) 0.0442(4) Uani 1 1 d . .
O2 O 0.53605(14) 0.65917(11) 0.62677(13) 0.0519(5) Uani 1 1 d . .
O3 O 0.41917(15) 0.60719(11) 0.70737(15) 0.0603(5) Uani 1 1 d . .
H3 H 0.4403 0.6175 0.6626 0.090 Uiso 1 1 calc R U
N1 N 0.49103(13) 0.64188(10) 0.35169(13) 0.0310(4) Uani 1 1 d . .
N2 N 0.32359(14) 0.68313(11) 0.10580(14) 0.0342(4) Uani 1 1 d . .
C1 C 0.45538(16) 0.70183(13) 0.40094(17) 0.0320(5) Uani 1 1 d . .
H1A H 0.4530 0.6834 0.4628 0.038 Uiso 1 1 d R U
H1B H 0.3858 0.7150 0.3604 0.038 Uiso 1 1 d R U
C2 C 0.55133(16) 0.58145(12) 0.41244(16) 0.0322(5) Uani 1 1 d . .
H2A H 0.5489 0.5367 0.3721 0.039 Uiso 1 1 calc R U
H2B H 0.5199 0.5674 0.4601 0.039 Uiso 1 1 calc R U
C3 C 0.44261(15) 0.63208(12) 0.25341(16) 0.0278(5) Uani 1 1 d . .
C4 C 0.45004(17) 0.56667(13) 0.20221(17) 0.0341(5) Uani 1 1 d . .
H4 H 0.4929 0.5265 0.2338 0.041 Uiso 1 1 calc R U
C5 C 0.39424(18) 0.56128(13) 0.10524(17) 0.0377(6) Uani 1 1 d . .
H5 H 0.3998 0.5177 0.0705 0.045 Uiso 1 1 calc R U
C6 C 0.33075(18) 0.61932(14) 0.05951(17) 0.0371(5) Uani 1 1 d . .
H6 H 0.2913 0.6141 -0.0060 0.044 Uiso 1 1 calc R U
C7 C 0.37879(16) 0.68950(13) 0.19863(17) 0.0335(5) Uani 1 1 d . .
H7 H 0.3749 0.7354 0.2298 0.040 Uiso 1 1 calc R U
C8 C 0.46985(18) 0.85559(12) 0.47363(17) 0.0333(5) Uani 1 1 d . .
C9 C 0.36958(19) 0.87545(14) 0.4241(2) 0.0419(6) Uani 1 1 d . .
H9 H 0.3331 0.8503 0.3664 0.050 Uiso 1 1 calc R U
C10 C 0.3230(2) 0.93220(16) 0.4592(2) 0.0515(7) Uani 1 1 d . .
H10 H 0.2552 0.9457 0.4252 0.062 Uiso 1 1 calc R U
C11 C 0.3761(2) 0.96876(15) 0.5439(2) 0.0550(8) Uani 1 1 d . .
H11 H 0.3447 1.0080 0.5668 0.066 Uiso 1 1 calc R U
C12 C 0.4742(2) 0.94853(15) 0.5952(2) 0.0507(7) Uani 1 1 d . .
H12 H 0.5095 0.9729 0.6538 0.061 Uiso 1 1 calc R U
C13 C 0.5215(2) 0.89179(13) 0.56016(18) 0.0405(6) Uani 1 1 d . .
H13 H 0.5889 0.8778 0.5953 0.049 Uiso 1 1 calc R U
C14 C 0.54995(17) 0.82289(13) 0.31968(16) 0.0340(5) Uani 1 1 d . .
C15 C 0.6321(2) 0.79985(19) 0.2951(2) 0.0613(8) Uani 1 1 d . .
H15 H 0.6798 0.7663 0.3361 0.074 Uiso 1 1 calc R U
C16 C 0.6459(3) 0.8249(2) 0.2119(3) 0.0863(12) Uani 1 1 d . .
H16 H 0.7019 0.8077 0.1961 0.104 Uiso 1 1 calc R U
C17 C 0.5777(3) 0.8750(2) 0.1521(2) 0.0766(10) Uani 1 1 d . .
H17 H 0.5868 0.8924 0.0953 0.092 Uiso 1 1 calc R U
C18 C 0.4965(2) 0.89937(18) 0.1759(2) 0.0597(8) Uani 1 1 d . .
H18 H 0.4498 0.9337 0.1353 0.072 Uiso 1 1 calc R U
C19 C 0.4825(2) 0.87430(15) 0.25835(19) 0.0450(6) Uani 1 1 d . .
H19 H 0.4265 0.8921 0.2738 0.054 Uiso 1 1 calc R U
C20 C 0.73030(17) 0.52056(12) 0.54874(17) 0.0326(5) Uani 1 1 d . .
C21 C 0.7659(3) 0.45740(16) 0.5153(2) 0.0631(9) Uani 1 1 d . .
H21 H 0.7664 0.4565 0.4518 0.076 Uiso 1 1 calc R U
C22 C 0.8008(3) 0.39542(17) 0.5746(3) 0.0818(12) Uani 1 1 d . .
H22 H 0.8259 0.3529 0.5512 0.098 Uiso 1 1 calc R U
C23 C 0.7996(2) 0.39468(15) 0.6672(2) 0.0555(8) Uani 1 1 d . .
H23 H 0.8237 0.3522 0.7071 0.067 Uiso 1 1 calc R U
C24 C 0.7628(2) 0.45655(15) 0.70034(19) 0.0467(6) Uani 1 1 d . .
H24 H 0.7606 0.4566 0.7633 0.056 Uiso 1 1 calc R U
C25 C 0.7288(2) 0.51919(14) 0.64164(19) 0.0433(6) Uani 1 1 d . .
H25 H 0.7042 0.5617 0.6655 0.052 Uiso 1 1 calc R U
C26 C 0.75087(17) 0.60719(13) 0.38836(17) 0.0337(5) Uani 1 1 d . .
C27 C 0.7220(2) 0.56452(18) 0.3043(2) 0.0578(8) Uani 1 1 d . .
H27 H 0.6683 0.5294 0.2919 0.069 Uiso 1 1 calc R U
C28 C 0.7717(3) 0.5733(2) 0.2390(3) 0.0861(12) Uani 1 1 d . .
H28 H 0.7509 0.5447 0.1817 0.103 Uiso 1 1 calc R U
C29 C 0.8517(3) 0.6236(2) 0.2567(3) 0.0846(12) Uani 1 1 d . .
H29 H 0.8847 0.6297 0.2113 0.102 Uiso 1 1 calc R U
C30 C 0.8829(3) 0.66445(18) 0.3403(3) 0.0690(10) Uani 1 1 d . .
H30 H 0.9384 0.6979 0.3533 0.083 Uiso 1 1 calc R U
C31 C 0.8326(2) 0.65660(15) 0.4058(2) 0.0473(7) Uani 1 1 d . .
H31 H 0.8541 0.6852 0.4630 0.057 Uiso 1 1 calc R U
C32 C 0.59825(19) 0.68630(14) 0.70417(17) 0.0372(5) Uani 1 1 d . .
C33 C 0.57186(18) 0.67548(12) 0.79359(17) 0.0348(5) Uani 1 1 d . .
C34 C 0.4836(2) 0.63600(14) 0.7905(2) 0.0445(6) Uani 1 1 d . .
C35 C 0.4623(3) 0.62560(16) 0.8749(2) 0.0593(8) Uani 1 1 d . .
H35 H 0.4030 0.5994 0.8730 0.071 Uiso 1 1 calc R U
C36 C 0.5267(3) 0.65313(17) 0.9610(2) 0.0632(9) Uani 1 1 d . .
H36 H 0.5113 0.6456 1.0176 0.076 Uiso 1 1 calc R U
C37 C 0.6137(2) 0.69170(17) 0.9652(2) 0.0546(7) Uani 1 1 d . .
H37 H 0.6579 0.7105 1.0242 0.066 Uiso 1 1 calc R U
C38 C 0.6353(2) 0.70238(14) 0.88155(18) 0.0424(6) Uani 1 1 d . .
H38 H 0.6948 0.7287 0.8845 0.051 Uiso 1 1 calc R U
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'
Ag Ag -0.8971 1.1015 '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
N2 Ag1 P2 131.33(5) 4_676 .
N2 Ag1 O1 91.93(6) 4_676 .
P2 Ag1 O1 111.70(4) . .
N2 Ag1 P1 111.61(5) 4_676 .
P2 Ag1 P1 98.25(2) . .
O1 Ag1 P1 112.24(5) . .
C8 P1 C14 106.21(11) . .
C8 P1 C1 103.50(10) . .
C14 P1 C1 106.97(11) . .
C8 P1 Ag1 118.26(8) . .
C14 P1 Ag1 119.09(8) . .
C1 P1 Ag1 100.94(7) . .
C26 P2 C20 106.15(11) . .
C26 P2 C2 106.99(11) . .
C20 P2 C2 100.27(10) . .
C26 P2 Ag1 111.64(8) . .
C20 P2 Ag1 121.79(8) . .
C2 P2 Ag1 108.66(7) . .
C32 O1 Ag1 110.20(15) . .
C34 O3 H3 109.5 . .
C3 N1 C2 121.75(18) . .
C3 N1 C1 118.86(18) . .
C2 N1 C1 116.30(18) . .
C7 N2 C6 118.7(2) . .
C7 N2 Ag1 114.40(15) . 4_575
C6 N2 Ag1 124.83(15) . 4_575
N1 C1 P1 113.22(15) . .
N1 C1 H1A 110.5 . .
P1 C1 H1A 104.8 . .
N1 C1 H1B 107.6 . .
P1 C1 H1B 112.8 . .
H1A C1 H1B 107.8 . .
N1 C2 P2 114.72(15) . .
N1 C2 H2A 108.6 . .
P2 C2 H2A 108.6 . .
N1 C2 H2B 108.6 . .
P2 C2 H2B 108.6 . .
H2A C2 H2B 107.6 . .
N1 C3 C4 124.6(2) . .
N1 C3 C7 120.00(19) . .
C4 C3 C7 115.4(2) . .
C5 C4 C3 119.8(2) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C6 C5 C4 120.1(2) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
N2 C6 C5 121.5(2) . .
N2 C6 H6 119.2 . .
C5 C6 H6 119.2 . .
N2 C7 C3 124.3(2) . .
N2 C7 H7 117.8 . .
C3 C7 H7 117.8 . .
C9 C8 C13 119.0(2) . .
C9 C8 P1 124.64(19) . .
C13 C8 P1 116.38(18) . .
C10 C9 C8 120.2(3) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C11 C10 C9 120.0(3) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C12 C11 C10 120.6(2) . .
C12 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
C11 C12 C13 119.6(3) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
C8 C13 C12 120.5(3) . .
C8 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C15 C14 C19 117.4(2) . .
C15 C14 P1 116.90(19) . .
C19 C14 P1 125.71(19) . .
C14 C15 C16 121.5(3) . .
C14 C15 H15 119.2 . .
C16 C15 H15 119.2 . .
C17 C16 C15 120.0(3) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C18 C17 C16 119.3(3) . .
C18 C17 H17 120.4 . .
C16 C17 H17 120.4 . .
C17 C18 C19 120.8(3) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C18 C19 C14 121.0(3) . .
C18 C19 H19 119.5 . .
C14 C19 H19 119.5 . .
C21 C20 C25 118.2(2) . .
C21 C20 P2 123.4(2) . .
C25 C20 P2 118.39(18) . .
C20 C21 C22 120.3(3) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C23 C22 C21 121.1(3) . .
C23 C22 H22 119.4 . .
C21 C22 H22 119.4 . .
C24 C23 C22 119.0(3) . .
C24 C23 H23 120.5 . .
C22 C23 H23 120.5 . .
C23 C24 C25 120.1(3) . .
C23 C24 H24 119.9 . .
C25 C24 H24 119.9 . .
C20 C25 C24 121.3(2) . .
C20 C25 H25 119.4 . .
C24 C25 H25 119.4 . .
C27 C26 C31 118.3(2) . .
C27 C26 P2 125.33(19) . .
C31 C26 P2 116.32(19) . .
C28 C27 C26 120.3(3) . .
C28 C27 H27 119.9 . .
C26 C27 H27 119.9 . .
C27 C28 C29 120.6(3) . .
C27 C28 H28 119.7 . .
C29 C28 H28 119.7 . .
C30 C29 C28 119.8(3) . .
C30 C29 H29 120.1 . .
C28 C29 H29 120.1 . .
C29 C30 C31 119.9(3) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C30 C31 C26 121.0(3) . .
C30 C31 H31 119.5 . .
C26 C31 H31 119.5 . .
O1 C32 O2 124.3(2) . .
O1 C32 C33 119.2(2) . .
O2 C32 C33 116.5(2) . .
C38 C33 C34 118.3(2) . .
C38 C33 C32 120.8(2) . .
C34 C33 C32 120.8(2) . .
O3 C34 C35 119.1(3) . .
O3 C34 C33 121.5(2) . .
C35 C34 C33 119.5(3) . .
C36 C35 C34 120.7(3) . .
C36 C35 H35 119.6 . .
C34 C35 H35 119.6 . .
C35 C36 C37 120.4(3) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.8 . .
C36 C37 C38 119.1(3) . .
C36 C37 H37 120.4 . .
C38 C37 H37 120.4 . .
C37 C38 C33 121.9(3) . .
C37 C38 H38 119.1 . .
C33 C38 H38 119.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N2 2.2940(18) 4_676
Ag1 P2 2.4168(6) .
Ag1 O1 2.4206(17) .
Ag1 P1 2.4632(6) .
P1 C8 1.816(2) .
P1 C14 1.827(2) .
P1 C1 1.863(2) .
P2 C26 1.820(2) .
P2 C20 1.821(2) .
P2 C2 1.868(2) .
O1 C32 1.247(3) .
O2 C32 1.269(3) .
O3 C34 1.349(3) .
O3 H3 0.8300 .
N1 C3 1.386(3) .
N1 C2 1.458(3) .
N1 C1 1.461(3) .
N2 C7 1.328(3) .
N2 C6 1.335(3) .
N2 Ag1 2.2940(18) 4_575
C1 H1A 0.9798 .
C1 H1B 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C3 C4 1.399(3) .
C3 C7 1.406(3) .
C4 C5 1.380(3) .
C4 H4 0.9400 .
C5 C6 1.369(3) .
C5 H5 0.9400 .
C6 H6 0.9400 .
C7 H7 0.9400 .
C8 C9 1.386(3) .
C8 C13 1.388(3) .
C9 C10 1.385(4) .
C9 H9 0.9400 .
C10 C11 1.377(4) .
C10 H10 0.9400 .
C11 C12 1.368(4) .
C11 H11 0.9400 .
C12 C13 1.390(3) .
C12 H12 0.9400 .
C13 H13 0.9400 .
C14 C15 1.378(4) .
C14 C19 1.394(3) .
C15 C16 1.380(4) .
C15 H15 0.9400 .
C16 C17 1.375(5) .
C16 H16 0.9400 .
C17 C18 1.367(4) .
C17 H17 0.9400 .
C18 C19 1.369(4) .
C18 H18 0.9400 .
C19 H19 0.9400 .
C20 C21 1.375(3) .
C20 C25 1.379(3) .
C21 C22 1.378(4) .
C21 H21 0.9400 .
C22 C23 1.374(4) .
C22 H22 0.9400 .
C23 C24 1.363(4) .
C23 H23 0.9400 .
C24 C25 1.381(3) .
C24 H24 0.9400 .
C25 H25 0.9400 .
C26 C27 1.387(3) .
C26 C31 1.387(3) .
C27 C28 1.376(4) .
C27 H27 0.9400 .
C28 C29 1.379(5) .
C28 H28 0.9400 .
C29 C30 1.364(5) .
C29 H29 0.9400 .
C30 C31 1.383(4) .
C30 H30 0.9400 .
C31 H31 0.9400 .
C32 C33 1.499(3) .
C33 C38 1.382(3) .
C33 C34 1.403(4) .
C34 C35 1.389(4) .
C35 C36 1.371(4) .
C35 H35 0.9400 .
C36 C37 1.376(4) .
C36 H36 0.9400 .
C37 C38 1.380(4) .
C37 H37 0.9400 .
C38 H38 0.9400 .
