#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:34:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179117 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/79/4307909.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_4307909
loop_
_publ_author_name
'Yulia Yu. Scaffidi-Domianello'
'Alexey A. Nazarov'
'Matti Haukka'
'Markus Galanski'
'Bernhard K. Keppler'
'Jacob Schneider'
'Pingwu Du'
'Richard Eisenberg'
'Vadim Yu. Kukushkin'
_publ_section_title
;
First Example of the Solid-State Thermal Cyclometalation of Ligated
Benzophenone Imine Giving Novel Luminescent Platinum(II) Species
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4469
_journal_page_last               4482
_journal_paper_doi               10.1021/ic062414k
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C15 H16 Cl N O Pt S'
_chemical_formula_sum            'C15 H16 Cl N O Pt S'
_chemical_formula_weight         488.89
_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                107.833(2)
_cell_angle_beta                 95.223(2)
_cell_angle_gamma                92.2130(10)
_cell_formula_units_Z            4
_cell_length_a                   10.0666(3)
_cell_length_b                   10.5808(3)
_cell_length_c                   14.7570(3)
_cell_measurement_reflns_used    26438
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.46
_cell_volume                     1486.40(7)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Diamond v.3.1b (Crystal Impact GbR, 2006)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23370
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    9.754
_exptl_absorpt_correction_T_max  0.4600
_exptl_absorpt_correction_T_min  0.3095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Xprep in Shelxtl v.6.14-1 (Sheldrick, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.682
_refine_diff_density_min         -1.534
_refine_diff_density_rms         0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         5236
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0320
_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)+(0.0249P)²+10.6551P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0773
_reflns_number_gt                4282
_reflns_number_total             5236
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062414k-file007_4.cif
_cod_data_source_block           struct_8
_cod_database_code               4307909
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
Pt1 Pt 0.89383(3) 0.26604(3) 0.889357(19) 0.01305(9) Uani 1 1 d . . .
Cl1 Cl 0.8465(2) 0.09853(19) 0.96226(13) 0.0198(4) Uani 1 1 d . . .
S1 S 0.99725(19) 0.12352(19) 0.77979(13) 0.0136(4) Uani 1 1 d . . .
O1 O 1.0629(5) 0.1605(5) 0.7052(3) 0.0161(11) Uani 1 1 d . . .
N1 N 0.7988(6) 0.3953(6) 0.9891(4) 0.0139(13) Uani 1 1 d . . .
H1 H 0.7690 0.3726 1.0366 0.017 Uiso 1 1 calc R . .
C1 C 0.7831(7) 0.5110(7) 0.9811(5) 0.0129(16) Uani 1 1 d . . .
C2 C 0.6984(7) 0.6033(7) 1.0445(5) 0.0157(16) Uani 1 1 d . . .
C3 C 0.5999(8) 0.6686(8) 1.0064(6) 0.0187(17) Uani 1 1 d . . .
H3 H 0.5926 0.6609 0.9403 0.022 Uiso 1 1 calc R . .
C4 C 0.5131(8) 0.7443(8) 1.0652(6) 0.0202(18) Uani 1 1 d . . .
H4 H 0.4458 0.7874 1.0388 0.024 Uiso 1 1 calc R . .
C5 C 0.5235(8) 0.7579(8) 1.1625(5) 0.0196(18) Uani 1 1 d . . .
H5 H 0.4636 0.8099 1.2021 0.023 Uiso 1 1 calc R . .
C6 C 0.6213(8) 0.6953(8) 1.2012(5) 0.0177(17) Uani 1 1 d . . .
H6 H 0.6297 0.7060 1.2678 0.021 Uiso 1 1 calc R . .
C7 C 0.7079(7) 0.6163(7) 1.1425(5) 0.0143(16) Uani 1 1 d . . .
H7 H 0.7732 0.5715 1.1691 0.017 Uiso 1 1 calc R . .
C8 C 0.8490(8) 0.5388(8) 0.9041(5) 0.0175(17) Uani 1 1 d . . .
C9 C 0.8593(8) 0.6640(8) 0.8911(6) 0.0224(18) Uani 1 1 d . . .
H9 H 0.8233 0.7380 0.9337 0.027 Uiso 1 1 calc R . .
C10 C 0.9229(8) 0.6785(8) 0.8151(6) 0.0244(19) Uani 1 1 d . . .
H10 H 0.9342 0.7637 0.8068 0.029 Uiso 1 1 calc R . .
C11 C 0.9697(8) 0.5687(9) 0.7515(6) 0.0232(19) Uani 1 1 d . . .
H11 H 1.0077 0.5777 0.6970 0.028 Uiso 1 1 calc R . .
C12 C 0.9619(8) 0.4446(8) 0.7663(6) 0.0209(18) Uani 1 1 d . . .
H12 H 0.9948 0.3706 0.7216 0.025 Uiso 1 1 calc R . .
C13 C 0.9069(7) 0.4269(8) 0.8450(5) 0.0182(12) Uani 1 1 d . . .
C14 C 1.1183(8) 0.0482(8) 0.8387(5) 0.0192(17) Uani 1 1 d . . .
H14A H 1.1495 -0.0292 0.7919 0.029 Uiso 1 1 calc R . .
H14B H 1.0777 0.0197 0.8878 0.029 Uiso 1 1 calc R . .
H14C H 1.1942 0.1128 0.8689 0.029 Uiso 1 1 calc R . .
C15 C 0.8808(8) -0.0145(8) 0.7219(5) 0.0204(18) Uani 1 1 d . . .
H15A H 0.8099 0.0127 0.6832 0.031 Uiso 1 1 calc R . .
H15B H 0.8416 -0.0461 0.7701 0.031 Uiso 1 1 calc R . .
H15C H 0.9268 -0.0863 0.6803 0.031 Uiso 1 1 calc R . .
Pt1B Pt 0.68304(3) 0.33077(3) 0.553636(19) 0.01422(9) Uani 1 1 d . . .
Cl1B Cl 0.6162(2) 0.15072(19) 0.60978(13) 0.0210(4) Uani 1 1 d . . .
S1B S 0.78182(19) 0.19286(19) 0.43836(13) 0.0147(4) Uani 1 1 d . . .
O1B O 0.8564(5) 0.2372(5) 0.3703(4) 0.0213(12) Uani 1 1 d . . .
N1B N 0.5903(7) 0.4571(6) 0.6570(4) 0.0180(15) Uani 1 1 d . . .
H1B H 0.5536 0.4292 0.6999 0.022 Uiso 1 1 calc R . .
C1B C 0.5863(7) 0.5787(7) 0.6586(5) 0.0148(16) Uani 1 1 d . . .
C2B C 0.5218(8) 0.6773(7) 0.7328(5) 0.0142(16) Uani 1 1 d . . .
C3B C 0.5921(8) 0.7992(8) 0.7858(5) 0.0189(17) Uani 1 1 d . . .
H3B H 0.6808 0.8175 0.7738 0.023 Uiso 1 1 calc R . .
C4B C 0.5329(8) 0.8922(8) 0.8548(5) 0.0196(18) Uani 1 1 d . . .
H4B H 0.5807 0.9745 0.8896 0.023 Uiso 1 1 calc R . .
C5B C 0.4037(8) 0.8661(8) 0.8737(5) 0.0212(18) Uani 1 1 d . . .
H5B H 0.3631 0.9302 0.9213 0.025 Uiso 1 1 calc R . .
C6B C 0.3343(8) 0.7453(8) 0.8224(6) 0.0221(18) Uani 1 1 d . . .
H6B H 0.2453 0.7278 0.8342 0.026 Uiso 1 1 calc R . .
C7B C 0.3938(8) 0.6508(8) 0.7545(5) 0.0177(17) Uani 1 1 d . . .
H7B H 0.3471 0.5669 0.7223 0.021 Uiso 1 1 calc R . .
C8B C 0.6536(8) 0.6094(8) 0.5839(5) 0.0162(17) Uani 1 1 d . . .
C9B C 0.6541(8) 0.7319(8) 0.5671(6) 0.0182(17) Uani 1 1 d . . .
H9B H 0.6079 0.8015 0.6058 0.022 Uiso 1 1 calc R . .
C10B C 0.7212(8) 0.7542(8) 0.4944(5) 0.0200(18) Uani 1 1 d . . .
H10B H 0.7186 0.8365 0.4812 0.024 Uiso 1 1 calc R . .
C11B C 0.7917(8) 0.6527(8) 0.4421(5) 0.0206(18) Uani 1 1 d . . .
H11B H 0.8423 0.6682 0.3949 0.025 Uiso 1 1 calc R . .
C12B C 0.7914(8) 0.5280(8) 0.4560(5) 0.0179(17) Uani 1 1 d . . .
H12B H 0.8415 0.4612 0.4182 0.022 Uiso 1 1 calc R . .
C13B C 0.7179(7) 0.4993(8) 0.5253(5) 0.0182(12) Uani 1 1 d . . .
C14B C 0.8929(8) 0.1025(8) 0.4908(6) 0.0210(18) Uani 1 1 d . . .
H14D H 0.9239 0.0292 0.4403 0.031 Uiso 1 1 calc R . .
H14E H 0.8464 0.0664 0.5340 0.031 Uiso 1 1 calc R . .
H14F H 0.9697 0.1618 0.5270 0.031 Uiso 1 1 calc R . .
C15B C 0.6616(8) 0.0637(8) 0.3697(5) 0.0193(18) Uani 1 1 d . . .
H15D H 0.6025 0.0971 0.3270 0.029 Uiso 1 1 calc R . .
H15E H 0.6085 0.0338 0.4127 0.029 Uiso 1 1 calc R . .
H15F H 0.7075 -0.0112 0.3314 0.029 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'
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'
S S 0.1246 0.1234 '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'
Pt Pt -1.7033 8.3905 '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
C13 Pt1 N1 79.7(3) . . yes
C13 Pt1 S1 100.5(2) . . ?
N1 Pt1 S1 179.71(18) . . ?
C13 Pt1 Cl1 168.4(2) . . ?
N1 Pt1 Cl1 89.04(18) . . ?
S1 Pt1 Cl1 90.78(7) . . yes
O1 S1 C15 107.9(3) . . ?
O1 S1 C14 106.9(3) . . ?
C15 S1 C14 101.0(4) . . ?
O1 S1 Pt1 123.1(2) . . ?
C15 S1 Pt1 106.9(3) . . ?
C14 S1 Pt1 108.8(3) . . ?
C1 N1 Pt1 118.1(5) . . ?
C1 N1 H1 121.0 . . ?
Pt1 N1 H1 121.0 . . ?
N1 C1 C8 114.8(7) . . yes
N1 C1 C2 120.2(7) . . ?
C8 C1 C2 124.9(7) . . ?
C3 C2 C7 119.1(7) . . ?
C3 C2 C1 120.8(7) . . ?
C7 C2 C1 119.9(7) . . ?
C4 C3 C2 120.0(7) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.7(7) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 119.8(7) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C7 120.2(7) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C6 C7 C2 120.1(7) . . ?
C6 C7 H7 120.0 . . ?
C2 C7 H7 120.0 . . ?
C9 C8 C13 122.4(8) . . ?
C9 C8 C1 123.9(7) . . ?
C13 C8 C1 113.6(7) . . yes
C10 C9 C8 119.0(8) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C11 C10 C9 119.7(8) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C10 C11 C12 120.8(8) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C13 C12 C11 121.5(8) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C8 116.1(8) . . ?
C12 C13 Pt1 130.4(6) . . ?
C8 C13 Pt1 113.5(6) . . ?
S1 C14 H14A 109.5 . . ?
S1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
S1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
S1 C15 H15A 109.5 . . ?
S1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
S1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13B Pt1B N1B 79.7(3) . . yes
C13B Pt1B S1B 99.9(2) . . ?
N1B Pt1B S1B 178.93(19) . . ?
C13B Pt1B Cl1B 169.3(2) . . ?
N1B Pt1B Cl1B 89.7(2) . . ?
S1B Pt1B Cl1B 90.70(7) . . yes
O1B S1B C14B 106.3(4) . . ?
O1B S1B C15B 107.4(3) . . ?
C14B S1B C15B 101.0(4) . . ?
O1B S1B Pt1B 123.2(2) . . ?
C14B S1B Pt1B 108.4(3) . . ?
C15B S1B Pt1B 108.3(3) . . ?
C1B N1B Pt1B 118.6(5) . . ?
C1B N1B H1B 120.7 . . ?
Pt1B N1B H1B 120.7 . . ?
N1B C1B C8B 114.0(7) . . yes
N1B C1B C2B 121.7(7) . . ?
C8B C1B C2B 124.3(7) . . ?
C7B C2B C3B 118.5(7) . . ?
C7B C2B C1B 121.5(7) . . ?
C3B C2B C1B 119.9(7) . . ?
C4B C3B C2B 120.5(7) . . ?
C4B C3B H3B 119.8 . . ?
C2B C3B H3B 119.8 . . ?
C3B C4B C5B 120.3(7) . . ?
C3B C4B H4B 119.8 . . ?
C5B C4B H4B 119.8 . . ?
C4B C5B C6B 119.5(7) . . ?
C4B C5B H5B 120.2 . . ?
C6B C5B H5B 120.2 . . ?
C7B C6B C5B 120.5(8) . . ?
C7B C6B H6B 119.8 . . ?
C5B C6B H6B 119.8 . . ?
C6B C7B C2B 120.6(7) . . ?
C6B C7B H7B 119.7 . . ?
C2B C7B H7B 119.7 . . ?
C9B C8B C13B 121.8(7) . . ?
C9B C8B C1B 124.3(7) . . ?
C13B C8B C1B 113.8(7) . . yes
C10B C9B C8B 121.1(7) . . ?
C10B C9B H9B 119.5 . . ?
C8B C9B H9B 119.5 . . ?
C11B C10B C9B 117.8(7) . . ?
C11B C10B H10B 121.1 . . ?
C9B C10B H10B 121.1 . . ?
C10B C11B C12B 122.6(7) . . ?
C10B C11B H11B 118.7 . . ?
C12B C11B H11B 118.7 . . ?
C11B C12B C13B 121.2(7) . . ?
C11B C12B H12B 119.4 . . ?
C13B C12B H12B 119.4 . . ?
C12B C13B C8B 115.3(7) . . ?
C12B C13B Pt1B 131.0(6) . . ?
C8B C13B Pt1B 113.7(6) . . ?
S1B C14B H14D 109.5 . . ?
S1B C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
S1B C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
S1B C15B H15D 109.5 . . ?
S1B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
S1B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
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
Pt1 C13 2.006(9) . yes
Pt1 N1 2.019(6) . yes
Pt1 S1 2.2150(18) . yes
Pt1 Cl1 2.3920(19) . yes
S1 O1 1.476(5) . yes
S1 C15 1.777(8) . ?
S1 C14 1.784(7) . ?
N1 C1 1.280(10) . yes
N1 H1 0.8800 . ?
C1 C8 1.465(10) . ?
C1 C2 1.485(10) . ?
C2 C3 1.402(11) . ?
C2 C7 1.404(10) . ?
C3 C4 1.388(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.399(11) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.396(11) . ?
C8 C13 1.420(11) . ?
C9 C10 1.386(11) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.395(12) . ?
C11 H11 0.9500 . ?
C12 C13 1.390(11) . ?
C12 H12 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
Pt1B C13B 1.978(9) . yes
Pt1B N1B 2.022(6) . yes
Pt1B S1B 2.2162(19) . yes
Pt1B Cl1B 2.3954(19) . yes
S1B O1B 1.480(5) . yes
S1B C14B 1.772(8) . ?
S1B C15B 1.778(7) . ?
N1B C1B 1.282(10) . yes
N1B H1B 0.8800 . ?
C1B C8B 1.455(10) . ?
C1B C2B 1.480(10) . ?
C2B C7B 1.395(11) . ?
C2B C3B 1.410(11) . ?
C3B C4B 1.379(11) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.390(11) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.392(12) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.380(11) . ?
C6B H6B 0.9500 . ?
C7B H7B 0.9500 . ?
C8B C9B 1.393(11) . ?
C8B C13B 1.438(11) . ?
C9B C10B 1.392(10) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.379(11) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.396(11) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.413(11) . ?
C12B H12B 0.9500 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
