#------------------------------------------------------------------------------
#$Date: 2022-03-18 10:10:01 +0200 (Fri, 18 Mar 2022) $
#$Revision: 273783 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/47/8104783.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_8104783
loop_
_publ_author_name
'Ha, Kwang'
_publ_section_title
;
 Crystal structure of [di(µ2-cyanido)-dicyanido-bis(dimethyl
 sulfoxide-\kO)-
 bis(2,2′-(ethane-1,2-diylbis(azanylylidenemethanylylidene))diphenolato-κ4,N,N′,O,O′)-
 dimanganese(III)-platinum(II)], C40H40Mn2N8O6PtS2
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              619
_journal_page_last               621
_journal_paper_doi               10.1515/ncrs-2021-0026
_journal_volume                  236
_journal_year                    2021
_chemical_formula_moiety         'C40 H40 Mn2 N8 O6 Pt S2'
_chemical_formula_sum            'C40 H40 Mn2 N8 O6 Pt S2'
_chemical_formula_weight         1097.89
_chemical_name_systematic
;
[di(μ₂-cyanido)-dicyanido-bis(dimethyl sulfoxide-κ-O)-
bis(2,2'-(ethane-1,2-diylbis(azanylylidenemethanylylidene))diphenolato)-
dimanganese(III)-platinum(II)]
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 114.6276(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.5707(3)
_cell_length_b                   18.5331(5)
_cell_length_c                   12.0293(3)
_cell_measurement_reflns_used    9821
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.42
_cell_volume                     2142.26(10)
_computing_cell_refinement       'Bruker SAINT [1]'
_computing_data_collection       'Bruker APEX2 [1]'
_computing_data_reduction        'Bruker SAINT [1]'
_computing_molecular_graphics    'ORTEP-III [3]'
_computing_publication_material  'SHELXL-2014/7 [2]'
_computing_structure_refinement  'SHELXL-2014/7 [2]'
_computing_structure_solution    'SHELXL-2014/7 [2]'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0121
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            54955
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.043
_diffrn_reflns_theta_min         2.161
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    3.990
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016) [1]'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_description       Block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4209
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0170
_refine_ls_R_factor_gt           0.0148
_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/[σ²(Fo²)+(0.0156P)²+1.4685P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0361
_refine_ls_wR_factor_ref         0.0380
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3888
_reflns_number_total             4209
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2021-0026_suppl.cif
_cod_data_source_block           Mn(salen)Pt(CN)
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8104783
_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   0.502
_shelx_estimated_absorpt_t_max   0.741
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.5000 0.0000 0.5000 0.02610(4) Uani 1 2 d S . P . .
Mn1 Mn 0.30412(3) 0.19126(2) 0.72037(2) 0.02576(7) Uani 1 1 d . . . . .
S1A S 0.14083(9) 0.30270(4) 0.85769(7) 0.0408(3) Uani 0.7045(19) 1 d . . P A 1
S1B S 0.0957(2) 0.24076(10) 0.85744(19) 0.0414(6) Uani 0.2955(19) 1 d . . P A 2
O1 O 0.41388(15) 0.16562(8) 0.88294(12) 0.0348(3) Uani 1 1 d . . . . .
O2 O 0.40579(16) 0.27587(7) 0.72683(12) 0.0342(3) Uani 1 1 d . . . . .
O3 O 0.1489(2) 0.24779(13) 0.77796(18) 0.0747(7) Uani 1 1 d . . . . .
N1 N 0.43320(18) 0.12506(10) 0.64233(16) 0.0353(4) Uani 1 1 d . . . . .
N2 N 0.1795(2) -0.02919(16) 0.3597(2) 0.0674(7) Uani 1 1 d . . . . .
N3 N 0.18340(17) 0.10542(9) 0.69420(14) 0.0298(3) Uani 1 1 d . . . . .
N4 N 0.17338(16) 0.21285(9) 0.54983(14) 0.0293(3) Uani 1 1 d . . . . .
C1 C 0.4591(2) 0.07944(11) 0.59122(17) 0.0294(4) Uani 1 1 d . . . . .
C2 C 0.2962(2) -0.01900(13) 0.4105(2) 0.0406(5) Uani 1 1 d . . . . .
C3 C 0.3954(2) 0.11259(10) 0.94875(17) 0.0279(4) Uani 1 1 d . . . . .
C4 C 0.4927(2) 0.10530(12) 1.07025(18) 0.0359(5) Uani 1 1 d . . . . .
H4 H 0.5670 0.1381 1.1027 0.043 Uiso 1 1 calc R U . . .
C5 C 0.4807(2) 0.05055(12) 1.14273(19) 0.0388(5) Uani 1 1 d . . . . .
H5 H 0.5480 0.0461 1.2237 0.047 Uiso 1 1 calc R U . . .
C6 C 0.3714(3) 0.00191(11) 1.0985(2) 0.0414(5) Uani 1 1 d . . . . .
H6 H 0.3632 -0.0347 1.1492 0.050 Uiso 1 1 calc R U . . .
C7 C 0.2756(3) 0.00795(11) 0.9799(2) 0.0380(5) Uani 1 1 d . . . . .
H7 H 0.2017 -0.0252 0.9493 0.046 Uiso 1 1 calc R U . . .
C8 C 0.2849(2) 0.06251(10) 0.90263(18) 0.0292(4) Uani 1 1 d . . . . .
C9 C 0.1853(2) 0.06142(11) 0.77702(18) 0.0321(4) Uani 1 1 d . . . . .
H9 H 0.1160 0.0256 0.7538 0.039 Uiso 1 1 calc R U . . .
C10 C 0.0831(2) 0.09614(13) 0.56540(18) 0.0395(5) Uani 1 1 d . . . . .
H10A H 0.0002 0.0705 0.5612 0.047 Uiso 1 1 calc R U . . .
H10B H 0.1254 0.0682 0.5206 0.047 Uiso 1 1 calc R U . . .
C11 C 0.0444(2) 0.17031(14) 0.51073(19) 0.0406(5) Uani 1 1 d . . . . .
H11A H -0.0008 0.1672 0.4213 0.049 Uiso 1 1 calc R U . . .
H11B H -0.0203 0.1932 0.5392 0.049 Uiso 1 1 calc R U . . .
C12 C 0.1945(2) 0.25720(11) 0.47741(17) 0.0301(4) Uani 1 1 d . . . . .
H12 H 0.1273 0.2595 0.3962 0.036 Uiso 1 1 calc R U . . .
C13 C 0.3136(2) 0.30361(10) 0.51157(17) 0.0292(4) Uani 1 1 d . . . . .
C14 C 0.3289(2) 0.34511(11) 0.41966(19) 0.0367(5) Uani 1 1 d . . . . .
H14 H 0.2623 0.3407 0.3384 0.044 Uiso 1 1 calc R U . . .
C15 C 0.4379(3) 0.39158(12) 0.4455(2) 0.0432(5) Uani 1 1 d . . . . .
H15 H 0.4476 0.4178 0.3826 0.052 Uiso 1 1 calc R U . . .
C16 C 0.5341(3) 0.39952(12) 0.5661(2) 0.0441(5) Uani 1 1 d . . . . .
H16 H 0.6085 0.4319 0.5847 0.053 Uiso 1 1 calc R U . . .
C17 C 0.5218(2) 0.36047(11) 0.6588(2) 0.0387(5) Uani 1 1 d . . . . .
H17 H 0.5878 0.3669 0.7398 0.046 Uiso 1 1 calc R U . . .
C18 C 0.4128(2) 0.31139(10) 0.63418(17) 0.0296(4) Uani 1 1 d . . . . .
C19 C -0.0358(3) 0.31338(15) 0.8307(3) 0.0540(6) Uani 1 1 d . . . . .
H19A H -0.0890 0.3287 0.7468 0.081 Uiso 1 1 calc R U . A 1
H19B H -0.0434 0.3495 0.8859 0.081 Uiso 1 1 calc R U . A 1
H19C H -0.0721 0.2678 0.8444 0.081 Uiso 1 1 calc R U . A 1
C20 C 0.1993(3) 0.26498(17) 1.0094(2) 0.0639(8) Uani 1 1 d . . . . .
H20A H 0.2862 0.2394 1.0297 0.096 Uiso 1 1 calc R U . A 1
H20B H 0.1297 0.2318 1.0120 0.096 Uiso 1 1 calc R U . A 1
H20C H 0.2135 0.3035 1.0680 0.096 Uiso 1 1 calc R U . A 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'
Mn Mn 0.3368 0.7283 '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'
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'
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
C1 Pt1 C1 180.0 . 3_656
C1 Pt1 C2 90.33(9) . 3_656
C1 Pt1 C2 89.67(9) 3_656 3_656
C1 Pt1 C2 89.67(9) . .
C1 Pt1 C2 90.33(9) 3_656 .
C2 Pt1 C2 180.0 3_656 .
O1 Mn1 O2 94.22(6) . .
O1 Mn1 N4 174.43(7) . .
O2 Mn1 N4 90.83(6) . .
O1 Mn1 N3 92.29(6) . .
O2 Mn1 N3 173.49(6) . .
N4 Mn1 N3 82.66(7) . .
O1 Mn1 O3 90.59(7) . .
O2 Mn1 O3 94.31(8) . .
N4 Mn1 O3 86.67(7) . .
N3 Mn1 O3 85.40(8) . .
O1 Mn1 N1 94.36(7) . .
O2 Mn1 N1 92.04(7) . .
N4 Mn1 N1 87.81(6) . .
N3 Mn1 N1 87.67(7) . .
O3 Mn1 N1 171.64(8) . .
O3 S1A C19 108.12(14) . .
O3 S1A C20 108.20(14) . .
C19 S1A C20 96.88(14) . .
O3 S1B C20 117.8(2) . .
O3 S1B C19 108.67(17) . .
C20 S1B C19 95.28(16) . .
C3 O1 Mn1 129.06(12) . .
C18 O2 Mn1 127.63(12) . .
S1B O3 Mn1 139.58(17) . .
S1A O3 Mn1 141.59(16) . .
C1 N1 Mn1 157.96(17) . .
C9 N3 C10 120.85(17) . .
C9 N3 Mn1 125.98(14) . .
C10 N3 Mn1 113.15(13) . .
C12 N4 C11 121.76(17) . .
C12 N4 Mn1 126.10(14) . .
C11 N4 Mn1 112.13(13) . .
N1 C1 Pt1 178.85(19) . .
N2 C2 Pt1 179.3(2) . .
O1 C3 C4 117.90(18) . .
O1 C3 C8 123.78(17) . .
C4 C3 C8 118.31(18) . .
C5 C4 C3 120.7(2) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
C4 C5 C6 121.2(2) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C7 C6 C5 119.0(2) . .
C7 C6 H6 120.5 . .
C5 C6 H6 120.5 . .
C6 C7 C8 121.6(2) . .
C6 C7 H7 119.2 . .
C8 C7 H7 119.2 . .
C7 C8 C3 119.20(19) . .
C7 C8 C9 117.57(19) . .
C3 C8 C9 123.10(17) . .
N3 C9 C8 125.13(18) . .
N3 C9 H9 117.4 . .
C8 C9 H9 117.4 . .
N3 C10 C11 107.30(17) . .
N3 C10 H10A 110.3 . .
C11 C10 H10A 110.3 . .
N3 C10 H10B 110.3 . .
C11 C10 H10B 110.3 . .
H10A C10 H10B 108.5 . .
N4 C11 C10 107.61(17) . .
N4 C11 H11A 110.2 . .
C10 C11 H11A 110.2 . .
N4 C11 H11B 110.2 . .
C10 C11 H11B 110.2 . .
H11A C11 H11B 108.5 . .
N4 C12 C13 124.71(17) . .
N4 C12 H12 117.6 . .
C13 C12 H12 117.6 . .
C14 C13 C18 118.93(19) . .
C14 C13 C12 118.40(18) . .
C18 C13 C12 122.63(18) . .
C15 C14 C13 121.8(2) . .
C15 C14 H14 119.1 . .
C13 C14 H14 119.1 . .
C14 C15 C16 119.0(2) . .
C14 C15 H15 120.5 . .
C16 C15 H15 120.5 . .
C17 C16 C15 120.9(2) . .
C17 C16 H16 119.5 . .
C15 C16 H16 119.5 . .
C16 C17 C18 121.1(2) . .
C16 C17 H17 119.5 . .
C18 C17 H17 119.5 . .
O2 C18 C17 118.39(18) . .
O2 C18 C13 123.35(18) . .
C17 C18 C13 118.24(18) . .
S1A C19 H19A 109.5 . .
S1A C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
S1A C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
S1A C20 H20A 109.5 . .
S1A C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
S1A C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 1.989(2) .
Pt1 C1 1.989(2) 3_656
Pt1 C2 1.998(2) 3_656
Pt1 C2 1.998(2) .
Mn1 O1 1.8723(13) .
Mn1 O2 1.8843(14) .
Mn1 N4 1.9788(16) .
Mn1 N3 1.9808(16) .
Mn1 O3 2.2843(18) .
Mn1 N1 2.3055(17) .
S1A O3 1.425(2) .
S1A C19 1.768(3) .
S1A C20 1.806(3) .
S1B O3 1.302(3) .
S1B C20 1.753(3) .
S1B C19 1.864(3) .
O1 C3 1.326(2) .
O2 C18 1.323(2) .
N1 C1 1.144(3) .
N2 C2 1.142(3) .
N3 C9 1.281(3) .
N3 C10 1.478(2) .
N4 C12 1.283(3) .
N4 C11 1.472(3) .
C3 C4 1.400(3) .
C3 C8 1.412(3) .
C4 C5 1.378(3) .
C4 H4 0.9400 .
C5 C6 1.385(3) .
C5 H5 0.9400 .
C6 C7 1.367(3) .
C6 H6 0.9400 .
C7 C8 1.404(3) .
C7 H7 0.9400 .
C8 C9 1.438(3) .
C9 H9 0.9400 .
C10 C11 1.505(3) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 C13 1.436(3) .
C12 H12 0.9400 .
C13 C14 1.410(3) .
C13 C18 1.417(3) .
C14 C15 1.366(3) .
C14 H14 0.9400 .
C15 C16 1.389(4) .
C15 H15 0.9400 .
C16 C17 1.380(3) .
C16 H16 0.9400 .
C17 C18 1.400(3) .
C17 H17 0.9400 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 H19C 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 H20C 0.9700 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O2 Mn1 O1 C3 173.18(17) . . . .
N3 Mn1 O1 C3 -6.62(17) . . . .
O3 Mn1 O1 C3 78.81(18) . . . .
N1 Mn1 O1 C3 -94.45(17) . . . .
O1 Mn1 O2 C18 158.26(17) . . . .
N4 Mn1 O2 C18 -24.10(17) . . . .
O3 Mn1 O2 C18 -110.82(17) . . . .
N1 Mn1 O2 C18 63.74(17) . . . .
C20 S1B O3 Mn1 76.1(3) . . . .
C19 S1B O3 Mn1 -177.1(2) . . . .
C19 S1A O3 Mn1 176.11(19) . . . .
C20 S1A O3 Mn1 -80.0(2) . . . .
Mn1 O1 C3 C4 -179.20(14) . . . .
Mn1 O1 C3 C8 2.0(3) . . . .
O1 C3 C4 C5 -178.8(2) . . . .
C8 C3 C4 C5 0.1(3) . . . .
C3 C4 C5 C6 -1.0(3) . . . .
C4 C5 C6 C7 1.3(4) . . . .
C5 C6 C7 C8 -0.6(4) . . . .
C6 C7 C8 C3 -0.4(3) . . . .
C6 C7 C8 C9 175.6(2) . . . .
O1 C3 C8 C7 179.44(19) . . . .
C4 C3 C8 C7 0.6(3) . . . .
O1 C3 C8 C9 3.7(3) . . . .
C4 C3 C8 C9 -175.13(19) . . . .
C10 N3 C9 C8 175.11(19) . . . .
Mn1 N3 C9 C8 -6.4(3) . . . .
C7 C8 C9 N3 -177.0(2) . . . .
C3 C8 C9 N3 -1.2(3) . . . .
C9 N3 C10 C11 146.3(2) . . . .
Mn1 N3 C10 C11 -32.4(2) . . . .
C12 N4 C11 C10 140.99(19) . . . .
Mn1 N4 C11 C10 -37.9(2) . . . .
N3 C10 C11 N4 44.3(2) . . . .
C11 N4 C12 C13 175.90(19) . . . .
Mn1 N4 C12 C13 -5.4(3) . . . .
N4 C12 C13 C14 174.65(18) . . . .
N4 C12 C13 C18 -7.9(3) . . . .
C18 C13 C14 C15 1.1(3) . . . .
C12 C13 C14 C15 178.66(19) . . . .
C13 C14 C15 C16 -1.7(3) . . . .
C14 C15 C16 C17 1.0(3) . . . .
C15 C16 C17 C18 0.4(3) . . . .
Mn1 O2 C18 C17 -162.49(15) . . . .
Mn1 O2 C18 C13 19.1(3) . . . .
C16 C17 C18 O2 -179.5(2) . . . .
C16 C17 C18 C13 -1.0(3) . . . .
C14 C13 C18 O2 178.71(18) . . . .
C12 C13 C18 O2 1.3(3) . . . .
C14 C13 C18 C17 0.3(3) . . . .
C12 C13 C18 C17 -177.17(18) . . . .
