#------------------------------------------------------------------------------
#$Date: 2019-11-24 22:43:42 +0200 (Sun, 24 Nov 2019) $
#$Revision: 239638 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/69/4516932.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_4516932
loop_
_publ_author_name
'Juvenal, Frank'
'Bonnot, Antoine'
'Fortin, Daniel'
'Harvey, Pierre D.'
_publ_section_title
;
 The
 trans-Bis(p-thioetherphenylacetynyl)bis(phosphine)platinum(II)
 Ligands: A Step towards Predictability and Crystal Design.
;
_journal_issue                   10
_journal_name_full               'ACS omega'
_journal_page_first              7433
_journal_page_last               7443
_journal_paper_doi               10.1021/acsomega.7b01352
_journal_volume                  2
_journal_year                    2017
_chemical_formula_sum            'C28 H38 Br2 Cu2 N2 P2 Pt S2'
_chemical_formula_weight         1010.65
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                101.961(5)
_cell_angle_beta                 97.001(5)
_cell_angle_gamma                90.110(4)
_cell_formula_units_Z            1
_cell_length_a                   9.1837(17)
_cell_length_b                   9.7176(18)
_cell_length_c                   10.067(2)
_cell_measurement_reflns_used    9727
_cell_measurement_temperature    173.(2)
_cell_measurement_theta_max      30.1866
_cell_measurement_theta_min      2.8535
_cell_volume                     872.0(3)
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_collection       'Bruker Instrument Service v2012.12.0.0'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            4822
_diffrn_reflns_theta_full        26.62
_diffrn_reflns_theta_max         26.62
_diffrn_reflns_theta_min         2.08
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    7.732
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.570
_exptl_crystal_size_mid          0.540
_exptl_crystal_size_min          0.340
_refine_diff_density_max         1.849
_refine_diff_density_min         -2.498
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.60(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     189
_refine_ls_number_reflns         4822
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.065
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0036P)²+7.6602P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                4470
_reflns_number_total             4822
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ao7b01352_si_003.cif
_cod_data_source_block           I
_cod_database_code               4516932
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
C C25 0.074(3) 0.658(4) 0.625(4) 0.051(4) Uani d D 1
N N1 0.0472(19) 0.728(2) 0.551(2) 0.051(4) Uani d . 1
C C26 0.129(2) 0.580(3) 0.722(3) 0.051(4) Uani d D 1
H H26A 0.0548 0.5755 0.7839 0.076 Uiso calc R 1
H H26B 0.2185 0.6266 0.7753 0.076 Uiso calc R 1
H H26C 0.1501 0.485 0.6759 0.076 Uiso calc R 1
N N2 0.9732(18) 0.290(2) 0.4736(17) 0.037(3) Uani d . 1
C C28 0.930(3) 0.334(3) 0.377(3) 0.037(3) Uani d . 1
C C27 0.8969(19) 0.400(2) 0.262(2) 0.037(3) Uani d . 1
H H27A 0.7947 0.4301 0.2568 0.055 Uiso calc R 1
H H27B 0.9109 0.3337 0.1771 0.055 Uiso calc R 1
H H27C 0.9623 0.4829 0.2728 0.055 Uiso calc R 1
C C1 0.838(2) 0.850(2) 0.908(3) 0.0165(18) Uani d . 1
C C2 0.757(3) 0.750(3) 0.869(3) 0.0165(18) Uani d . 1
C C3 0.693(3) 0.617(3) 0.789(2) 0.0165(18) Uani d . 1
C C4 0.6192(15) 0.5329(18) 0.859(2) 0.0165(18) Uani d . 1
H H4 0.6224 0.5543 0.9553 0.02 Uiso calc R 1
C C5 0.5355(17) 0.4075(18) 0.7713(18) 0.0165(18) Uani d . 1
H H5 0.4657 0.3587 0.8082 0.02 Uiso calc R 1
C C6 0.560(3) 0.363(3) 0.637(2) 0.0165(18) Uani d . 1
C C7 0.6366(18) 0.444(2) 0.576(2) 0.0165(18) Uani d . 1
H H7 0.6421 0.4189 0.4799 0.02 Uiso calc R 1
C C8 0.711(3) 0.570(3) 0.659(2) 0.0165(18) Uani d . 1
H H8 0.7753 0.621 0.6193 0.02 Uiso calc R 1
C C9 0.5324(13) 0.1690(17) 0.3961(17) 0.0165(18) Uani d . 1
H H9A 0.6391 0.1589 0.4082 0.025 Uiso calc R 1
H H9B 0.5082 0.2466 0.3494 0.025 Uiso calc R 1
H H9C 0.4857 0.0815 0.3408 0.025 Uiso calc R 1
C C10 1.147(2) 1.147(2) 1.082(2) 0.0151(17) Uani d . 1
C C11 1.235(3) 1.250(3) 1.129(3) 0.0151(17) Uani d . 1
C C12 1.305(3) 1.385(3) 1.199(2) 0.0151(17) Uani d . 1
C C13 1.3982(16) 1.4664(18) 1.1474(18) 0.0151(17) Uani d . 1
H H13 1.4307 1.4278 1.0618 0.018 Uiso calc R 1
C C14 1.4438(17) 1.5916(19) 1.2084(16) 0.0151(17) Uani d . 1
H H14 1.4828 1.6525 1.158 0.018 Uiso calc R 1
C C15 1.436(3) 1.639(3) 1.350(2) 0.0151(17) Uani d . 1
C C16 1.3449(18) 1.554(2) 1.411(2) 0.0151(17) Uani d . 1
H H16 1.3244 1.5895 1.5015 0.018 Uiso calc R 1
C C17 1.288(3) 1.429(3) 1.344(2) 0.0151(17) Uani d . 1
H H17 1.2389 1.3708 1.3902 0.018 Uiso calc R 1
C C18 1.4373(14) 1.8350(17) 1.5969(16) 0.0151(17) Uani d . 1
H H18A 1.4734 1.7715 1.6568 0.023 Uiso calc R 1
H H18B 1.3309 1.8208 1.5726 0.023 Uiso calc R 1
H H18C 1.4595 1.9327 1.6447 0.023 Uiso calc R 1
C C19 1.065(3) 0.713(3) 1.150(2) 0.0242(11) Uani d . 1
H H19A 1.0893 0.6808 1.2356 0.036 Uiso calc R 1
H H19B 1.1477 0.6956 1.0956 0.036 Uiso calc R 1
H H19C 0.9775 0.662 1.0978 0.036 Uiso calc R 1
C C20 0.866(2) 0.9150(15) 1.271(2) 0.0242(11) Uani d . 1
H H20A 0.859 1.0116 1.3222 0.036 Uiso calc R 1
H H20B 0.8698 0.85 1.3336 0.036 Uiso calc R 1
H H20C 0.78 0.8912 1.2016 0.036 Uiso calc R 1
C C21 1.162(2) 0.9735(19) 1.324(2) 0.0242(11) Uani d . 1
H H21A 1.1527 0.929 1.4016 0.036 Uiso calc R 1
H H21B 1.1476 1.0748 1.3512 0.036 Uiso calc R 1
H H21C 1.2608 0.9578 1.2965 0.036 Uiso calc R 1
C C22 0.934(3) 1.293(3) 0.862(2) 0.0242(11) Uani d . 1
H H22A 0.835 1.3002 0.8903 0.036 Uiso calc R 1
H H22B 0.9374 1.3374 0.7842 0.036 Uiso calc R 1
H H22C 1.0051 1.3396 0.9388 0.036 Uiso calc R 1
C C23 1.137(2) 1.1127(16) 0.731(2) 0.0242(11) Uani d . 1
H H23A 1.1121 1.1488 0.6469 0.036 Uiso calc R 1
H H23B 1.1729 1.017 0.707 0.036 Uiso calc R 1
H H23C 1.213 1.1736 0.7914 0.036 Uiso calc R 1
C C24 0.820(2) 1.0467(19) 0.681(2) 0.0242(11) Uani d . 1
H H24A 0.8105 1.1075 0.6145 0.036 Uiso calc R 1
H H24B 0.7293 1.0489 0.7242 0.036 Uiso calc R 1
H H24C 0.8363 0.95 0.6348 0.036 Uiso calc R 1
Br Br1 0.3894(3) 0.8386(3) 0.9651(4) 0.02511(15) Uani d . 1
Br Br2 0.6079(3) 1.1615(3) 1.0314(4) 0.02511(15) Uani d . 1
Cu Cu1 0.6382(4) 0.9138(4) 0.9526(5) 0.01531(15) Uani d . 1
Cu Cu2 1.3591(4) 1.0871(4) 1.0426(5) 0.01531(15) Uani d . 1
P P1 1.0313(5) 0.9004(5) 1.1873(5) 0.00991(8) Uani d . 1
P P2 0.9771(5) 1.1103(5) 0.8148(5) 0.00991(8) Uani d . 1
Pt Pt1 0.99885(19) 1.00024(19) 0.9985(2) 0.00991(8) Uani d . 1
S S1 1.5282(9) 1.7972(9) 1.4396(9) 0.024(2) Uani d . 1
S S2 0.4691(9) 0.2044(9) 0.5547(9) 0.024(2) Uani d . 1
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
Pt Pt -1.7033 8.3905 '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'
N N 0.0061 0.0033 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 C25 C26 . . 172.(3)
N2 C28 C27 . . 171.(3)
C2 C1 Cu1 . . 73.4(17)
C2 C1 Pt1 . . 170.(3)
Cu1 C1 Pt1 . . 111.5(11)
C1 C2 C3 . . 161.(3)
C1 C2 Cu1 . . 72.3(19)
C3 C2 Cu1 . . 123.9(19)
C8 C3 C4 . . 120.(2)
C8 C3 C2 . . 123.(2)
C4 C3 C2 . . 117.(2)
C3 C4 C5 . . 115.9(19)
C6 C5 C4 . . 119.5(18)
C7 C6 C5 . . 121.(2)
C7 C6 S2 . . 124.5(18)
C5 C6 S2 . . 113.8(16)
C6 C7 C8 . . 118.(2)
C3 C8 C7 . . 123.(2)
C11 C10 Pt1 . . 174.(2)
C11 C10 Cu2 . . 71.0(16)
Pt1 C10 Cu2 . . 112.4(11)
C10 C11 C12 . . 166.(3)
C10 C11 Cu2 . . 73.9(17)
C12 C11 Cu2 . . 120.2(18)
C13 C12 C11 . . 127.(2)
C13 C12 C17 . . 116.(2)
C11 C12 C17 . . 116.(2)
C14 C13 C12 . . 124.0(19)
C13 C14 C15 . . 120.3(19)
C14 C15 C16 . . 116.(2)
C14 C15 S1 . . 120.2(17)
C16 C15 S1 . . 124.0(16)
C17 C16 C15 . . 123.(2)
C16 C17 C12 . . 118.(2)
Cu2 Br1 Cu1 1_455 . 82.70(19)
Cu1 Br2 Cu2 . 1_455 82.92(19)
C1 Cu1 C2 . . 34.3(9)
C1 Cu1 Br2 . . 117.6(6)
C2 Cu1 Br2 . . 151.1(7)
C1 Cu1 Br1 . . 145.2(6)
C2 Cu1 Br1 . . 111.3(7)
Br2 Cu1 Br1 . . 97.2(3)
C11 Cu2 C10 . . 35.1(9)
C11 Cu2 Br1 . 1_655 149.5(7)
C10 Cu2 Br1 . 1_655 115.7(6)
C11 Cu2 Br2 . 1_655 112.6(7)
C10 Cu2 Br2 . 1_655 147.1(7)
Br1 Cu2 Br2 1_655 1_655 97.2(3)
C21 P1 C20 . . 100.9(10)
C21 P1 C19 . . 105.6(10)
C20 P1 C19 . . 104.6(9)
C21 P1 Pt1 . . 119.3(7)
C20 P1 Pt1 . . 110.2(7)
C19 P1 Pt1 . . 114.4(7)
C23 P2 C22 . . 104.0(9)
C23 P2 C24 . . 107.6(10)
C22 P2 C24 . . 100.1(10)
C23 P2 Pt1 . . 116.0(7)
C22 P2 Pt1 . . 112.4(7)
C24 P2 Pt1 . . 115.0(7)
C10 Pt1 C1 . . 178.2(14)
C10 Pt1 P1 . . 91.6(7)
C1 Pt1 P1 . . 89.8(7)
C10 Pt1 P2 . . 85.0(7)
C1 Pt1 P2 . . 93.6(7)
P1 Pt1 P2 . . 176.62(16)
C15 S1 C18 . . 101.4(9)
C9 S2 C6 . . 103.3(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C25 N1 . 1.11(3)
C25 C26 . 1.405(18)
N2 C28 . 1.17(3)
C28 C27 . 1.45(2)
C1 C2 . 1.19(3)
C1 Cu1 . 2.01(2)
C1 Pt1 . 2.061(18)
C2 C3 . 1.46(3)
C2 Cu1 . 2.03(3)
C3 C8 . 1.32(3)
C3 C4 . 1.40(3)
C4 C5 . 1.49(2)
C5 C6 . 1.38(3)
C6 C7 . 1.34(3)
C6 S2 . 1.75(2)
C7 C8 . 1.45(3)
C9 S2 . 1.734(18)
C10 C11 . 1.25(3)
C10 Pt1 . 1.956(19)
C10 Cu2 . 2.09(2)
C11 C12 . 1.46(4)
C11 Cu2 . 2.06(3)
C12 C13 . 1.38(3)
C12 C17 . 1.46(3)
C13 C14 . 1.29(2)
C14 C15 . 1.41(3)
C15 C16 . 1.44(3)
C15 S1 . 1.77(3)
C16 C17 . 1.33(3)
C18 S1 . 1.850(16)
C19 P1 . 1.82(3)
C20 P1 . 1.81(2)
C21 P1 . 1.74(2)
C22 P2 . 1.80(3)
C23 P2 . 1.78(2)
C24 P2 . 1.86(2)
Br1 Cu2 1_455 2.406(7)
Br1 Cu1 . 2.424(6)
Br2 Cu1 . 2.401(7)
Br2 Cu2 1_455 2.418(6)
Cu2 Br1 1_655 2.406(7)
Cu2 Br2 1_655 2.418(6)
P1 Pt1 . 2.295(6)
P2 Pt1 . 2.310(6)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
Cu1 C1 C2 C3 . . 151.(11)
Pt1 C1 C2 C3 . . -89.(17)
Pt1 C1 C2 Cu1 . . 120.(13)
C1 C2 C3 C8 . . -28.(12)
Cu1 C2 C3 C8 . . 118.(3)
C1 C2 C3 C4 . . 147.(10)
Cu1 C2 C3 C4 . . -67.(3)
C8 C3 C4 C5 . . -14.(4)
C2 C3 C4 C5 . . 171.(2)
C3 C4 C5 C6 . . 14.(3)
C4 C5 C6 C7 . . -12.(3)
C4 C5 C6 S2 . . 173.3(14)
C5 C6 C7 C8 . . 9.(3)
S2 C6 C7 C8 . . -177.7(19)
C4 C3 C8 C7 . . 11.(4)
C2 C3 C8 C7 . . -174.(3)
C6 C7 C8 C3 . . -8.(4)
Pt1 C10 C11 C12 . . 60.(30)
Cu2 C10 C11 C12 . . -170.(13)
Pt1 C10 C11 Cu2 . . -130.(20)
C10 C11 C12 C13 . . -137.(12)
Cu2 C11 C12 C13 . . 53.(4)
C10 C11 C12 C17 . . 50.(14)
Cu2 C11 C12 C17 . . -119.(2)
C11 C12 C13 C14 . . 172.(2)
C17 C12 C13 C14 . . -16.(4)
C12 C13 C14 C15 . . 19.(3)
C13 C14 C15 C16 . . -14.(3)
C13 C14 C15 S1 . . 168.5(16)
C14 C15 C16 C17 . . 9.(3)
S1 C15 C16 C17 . . -173.(2)
C15 C16 C17 C12 . . -8.(4)
C13 C12 C17 C16 . . 10.(4)
C11 C12 C17 C16 . . -177.(2)
Pt1 C1 Cu1 C2 . . -170.(3)
C2 C1 Cu1 Br2 . . -170.5(18)
Pt1 C1 Cu1 Br2 . . 19.1(15)
C2 C1 Cu1 Br1 . . 11.(3)
Pt1 C1 Cu1 Br1 . . -159.2(6)
C3 C2 Cu1 C1 . . -169.(4)
C1 C2 Cu1 Br2 . . 18.(3)
C3 C2 Cu1 Br2 . . -151.5(16)
C1 C2 Cu1 Br1 . . -173.2(17)
C3 C2 Cu1 Br1 . . 18.(3)
Cu2 Br2 Cu1 C1 1_455 . -179.4(8)
Cu2 Br2 Cu1 C2 1_455 . 170.(2)
Cu2 Br2 Cu1 Br1 1_455 . -0.3(4)
Cu2 Br1 Cu1 C1 1_455 . 178.8(13)
Cu2 Br1 Cu1 C2 1_455 . -174.5(10)
Cu2 Br1 Cu1 Br2 1_455 . 0.4(4)
C12 C11 Cu2 C10 . . 177.(4)
C10 C11 Cu2 Br1 . 1_655 -21.(3)
C12 C11 Cu2 Br1 . 1_655 155.8(15)
C10 C11 Cu2 Br2 . 1_655 170.9(15)
C12 C11 Cu2 Br2 . 1_655 -12.(3)
Pt1 C10 Cu2 C11 . . 175.(2)
C11 C10 Cu2 Br1 . 1_655 168.1(16)
Pt1 C10 Cu2 Br1 . 1_655 -17.0(14)
C11 C10 Cu2 Br2 . 1_655 -16.(3)
Pt1 C10 Cu2 Br2 . 1_655 159.3(6)
C11 C10 Pt1 C1 . . -10.(60)
Cu2 C10 Pt1 C1 . . -130.(40)
C11 C10 Pt1 P1 . . -150.(20)
Cu2 C10 Pt1 P1 . . 87.8(11)
C11 C10 Pt1 P2 . . 30.(20)
Cu2 C10 Pt1 P2 . . -92.0(11)
C2 C1 Pt1 C10 . . -170.(30)
Cu1 C1 Pt1 C10 . . -50.(40)
C2 C1 Pt1 P1 . . -26.(13)
Cu1 C1 Pt1 P1 . . 90.8(11)
C2 C1 Pt1 P2 . . 154.(13)
Cu1 C1 Pt1 P2 . . -89.3(11)
C21 P1 Pt1 C10 . . -1.5(9)
C20 P1 Pt1 C10 . . 114.5(9)
C19 P1 Pt1 C10 . . -128.0(11)
C21 P1 Pt1 C1 . . 179.7(9)
C20 P1 Pt1 C1 . . -64.3(9)
C19 P1 Pt1 C1 . . 53.2(11)
C21 P1 Pt1 P2 . . 1.(5)
C20 P1 Pt1 P2 . . 117.(4)
C19 P1 Pt1 P2 . . -126.(4)
C23 P2 Pt1 C10 . . 63.0(9)
C22 P2 Pt1 C10 . . -56.5(11)
C24 P2 Pt1 C10 . . -170.2(9)
C23 P2 Pt1 C1 . . -118.2(10)
C22 P2 Pt1 C1 . . 122.3(11)
C24 P2 Pt1 C1 . . 8.6(9)
C23 P2 Pt1 P1 . . 60.(5)
C22 P2 Pt1 P1 . . -59.(5)
C24 P2 Pt1 P1 . . -173.(4)
C14 C15 S1 C18 . . 163.4(18)
C16 C15 S1 C18 . . -14.(2)
C7 C6 S2 C9 . . 11.(3)
C5 C6 S2 C9 . . -175.2(17)
