#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/51/7015180.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_7015180
loop_
_publ_author_name
'Coetzee, Jacorien'
'Cronje, Stephanie'
'Dobrzańska, Liliana'
'Raubenheimer, Helgard G.'
'Jooné, Gisela'
'Nell, Margo J.'
'Hoppe, Heinrich C.'
_publ_section_title
;
 Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis,
 characterisation and screening for antitumour and antimalarial
 activity.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1471
_journal_page_last               1483
_journal_paper_doi               10.1039/c0dt01312a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C26 H23 Au N2 P S, N O3'
_chemical_formula_sum            'C26 H23 Au N3 O3 P S'
_chemical_formula_weight         685.48
_chemical_name_common            work
_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                86.292(2)
_cell_angle_beta                 80.051(2)
_cell_angle_gamma                64.497(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1497(7)
_cell_length_b                   9.4618(11)
_cell_length_c                   17.9130(16)
_cell_measurement_reflns_used    2313
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.802
_cell_measurement_theta_min      2.309
_cell_volume                     1227.9(2)
_computing_cell_refinement       'SAINT (Bruker 2003)'
_computing_data_collection       'SMART (Bruker 2002)'
_computing_data_reduction        'SAINT (Bruker 2002)'
_computing_molecular_graphics    'X-seed (Barbour 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0736
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11163
_diffrn_reflns_theta_full        25.71
_diffrn_reflns_theta_max         25.71
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    6.175
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_correction_T_min  0.603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS, Blessing, Acta Cryst. A51(1995) 33-38'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.418
_refine_diff_density_min         -0.897
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4614
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0445
_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)+(0.0402P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0897
_reflns_number_gt                3935
_reflns_number_total             4614
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01312a.txt
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015180
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
Au1 Au 0.21036(4) 0.80859(3) 0.320667(16) 0.01858(10) Uani 1 1 d . . .
S1 S 0.3127(3) 0.5136(2) 0.44904(11) 0.0273(5) Uani 1 1 d . . .
P1 P 0.3517(2) 0.8010(2) 0.20207(10) 0.0168(4) Uani 1 1 d . . .
O1 O -0.2414(8) 1.0970(6) 0.4434(3) 0.0364(14) Uani 1 1 d . . .
N1 N 0.0278(9) 0.6873(7) 0.5448(3) 0.0258(15) Uani 1 1 d . . .
H1 H -0.2320 0.7853 0.5948 0.053 Uiso 1 1 calc R . .
O2 O -0.4493(8) 1.1999(7) 0.3705(3) 0.0482(17) Uani 1 1 d . . .
N2 N 0.0826(8) 0.8094(7) 0.4284(3) 0.0236(14) Uani 1 1 d . . .
H2 H -0.1668 0.9035 0.5446 0.053 Uiso 1 1 calc R . .
O3 O -0.1642(8) 1.0652(6) 0.3223(3) 0.0441(16) Uani 1 1 d . . .
H3 H -0.1028 0.8491 0.6253 0.053 Uiso 1 1 calc R . .
N4 N -0.2873(10) 1.1232(7) 0.3786(4) 0.0311(17) Uani 1 1 d . . .
H4 H 0.4642 0.2067 0.5324 0.039 Uiso 1 1 calc R . .
H5 H 0.3441 0.1387 0.6484 0.044 Uiso 1 1 calc R . .
H6 H 0.0918 0.3199 0.7247 0.041 Uiso 1 1 calc R . .
H7 H -0.0683 0.5737 0.6812 0.037 Uiso 1 1 calc R . .
H8 H -0.0089 0.8986 0.4454 0.028 Uiso 1 1 calc R . .
C111 C 0.2217(10) 0.7885(8) 0.1323(4) 0.0183(16) Uani 1 1 d . . .
C112 C 0.0322(10) 0.8867(9) 0.1425(4) 0.0236(17) Uani 1 1 d . . .
H112 H -0.0264 0.9481 0.1874 0.028 Uiso 1 1 calc R . .
C113 C -0.0690(10) 0.8934(8) 0.0864(4) 0.0244(18) Uani 1 1 d . . .
H113 H -0.1966 0.9617 0.0924 0.029 Uiso 1 1 calc R . .
C114 C 0.0144(11) 0.8016(9) 0.0220(4) 0.0265(18) Uani 1 1 d . . .
H114 H -0.0564 0.8067 -0.0159 0.032 Uiso 1 1 calc R . .
C115 C 0.1997(10) 0.7024(8) 0.0120(4) 0.0240(17) Uani 1 1 d . . .
H115 H 0.2556 0.6390 -0.0324 0.029 Uiso 1 1 calc R . .
C116 C 0.3046(10) 0.6948(8) 0.0667(4) 0.0191(16) Uani 1 1 d . . .
H116 H 0.4322 0.6264 0.0598 0.023 Uiso 1 1 calc R . .
C121 C 0.3895(9) 0.9749(7) 0.1734(4) 0.0151(15) Uani 1 1 d . . .
C122 C 0.4239(9) 1.0534(8) 0.2273(4) 0.0221(17) Uani 1 1 d . . .
H122 H 0.4308 1.0149 0.2775 0.026 Uiso 1 1 calc R . .
C123 C 0.4483(10) 1.1887(9) 0.2075(4) 0.0273(18) Uani 1 1 d . . .
H123 H 0.4735 1.2416 0.2442 0.033 Uiso 1 1 calc R . .
C124 C 0.4363(10) 1.2455(8) 0.1356(4) 0.0268(18) Uani 1 1 d . . .
H124 H 0.4519 1.3385 0.1228 0.032 Uiso 1 1 calc R . .
C125 C 0.4017(10) 1.1690(8) 0.0812(4) 0.0234(17) Uani 1 1 d . . .
H125 H 0.3945 1.2083 0.0312 0.028 Uiso 1 1 calc R . .
C126 C 0.3777(9) 1.0340(8) 0.1008(4) 0.0187(16) Uani 1 1 d . . .
H126 H 0.3529 0.9814 0.0638 0.022 Uiso 1 1 calc R . .
C131 C 0.5762(9) 0.6351(8) 0.1853(4) 0.0183(16) Uani 1 1 d . . .
C132 C 0.6009(10) 0.4983(8) 0.2266(4) 0.0185(16) Uani 1 1 d . . .
H132 H 0.5011 0.4943 0.2616 0.022 Uiso 1 1 calc R . .
C133 C 0.7700(10) 0.3690(8) 0.2169(4) 0.0218(17) Uani 1 1 d . . .
H133 H 0.7858 0.2755 0.2439 0.026 Uiso 1 1 calc R . .
C134 C 0.9156(11) 0.3774(9) 0.1673(4) 0.0250(18) Uani 1 1 d . . .
H134 H 1.0325 0.2898 0.1611 0.030 Uiso 1 1 calc R . .
C135 C 0.8925(10) 0.5127(8) 0.1267(4) 0.0258(18) Uani 1 1 d . . .
H135 H 0.9933 0.5175 0.0927 0.031 Uiso 1 1 calc R . .
C136 C 0.7230(10) 0.6405(8) 0.1355(4) 0.0200(16) Uani 1 1 d . . .
H136 H 0.7073 0.7327 0.1072 0.024 Uiso 1 1 calc R . .
C211 C 0.1202(10) 0.6939(9) 0.4748(4) 0.0233(17) Uani 1 1 d . . .
C212 C 0.2596(11) 0.4323(9) 0.5356(4) 0.0249(18) Uani 1 1 d . . .
C213 C 0.3552(11) 0.2803(10) 0.5617(5) 0.032(2) Uani 1 1 d . . .
C214 C 0.2854(12) 0.2425(10) 0.6307(5) 0.037(2) Uani 1 1 d . . .
C215 C 0.1326(12) 0.3496(10) 0.6759(4) 0.034(2) Uani 1 1 d . . .
C216 C 0.0384(12) 0.5002(10) 0.6507(4) 0.0305(19) Uani 1 1 d . . .
C217 C 0.1037(10) 0.5411(8) 0.5795(4) 0.0223(17) Uani 1 1 d . . .
C218 C -0.1307(12) 0.8163(9) 0.5801(4) 0.035(2) 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
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
N2 Au1 P1 178.43(18) . . ?
C212 S1 C211 90.4(4) . . ?
C111 P1 C131 107.0(3) . . ?
C111 P1 C121 103.0(3) . . ?
C131 P1 C121 106.4(3) . . ?
C111 P1 Au1 113.1(2) . . ?
C131 P1 Au1 111.9(2) . . ?
C121 P1 Au1 114.6(2) . . ?
O2 N4 O1 121.2(7) . . ?
O3 N4 O1 118.1(7) . . ?
C211 N1 C217 113.8(6) . . ?
C211 N1 C218 123.4(6) . . ?
C217 N1 C218 122.8(6) . . ?
C211 N2 Au1 127.3(5) . . ?
C211 N2 H8 116.3 . . ?
Au1 N2 H8 116.3 . . ?
O2 N4 O3 120.6(7) . . ?
C116 C111 C112 119.5(6) . . ?
C116 C111 P1 122.8(5) . . ?
C112 C111 P1 117.6(5) . . ?
C113 C112 C111 119.5(7) . . ?
C113 C112 H112 120.3 . . ?
C111 C112 H112 120.3 . . ?
C114 C113 C112 120.5(7) . . ?
C114 C113 H113 119.8 . . ?
C112 C113 H113 119.8 . . ?
C113 C114 C115 120.6(7) . . ?
C113 C114 H114 119.7 . . ?
C115 C114 H114 119.7 . . ?
C114 C115 C116 120.2(7) . . ?
C114 C115 H115 119.9 . . ?
C116 C115 H115 119.9 . . ?
C115 C116 C111 119.8(7) . . ?
C115 C116 H116 120.1 . . ?
C111 C116 H116 120.1 . . ?
C126 C121 C122 119.2(6) . . ?
C126 C121 P1 122.1(5) . . ?
C122 C121 P1 118.6(5) . . ?
C121 C122 C123 119.8(7) . . ?
C121 C122 H122 120.1 . . ?
C123 C122 H122 120.1 . . ?
C124 C123 C122 120.3(7) . . ?
C124 C123 H123 119.8 . . ?
C122 C123 H123 119.8 . . ?
C123 C124 C125 120.6(7) . . ?
C123 C124 H124 119.7 . . ?
C125 C124 H124 119.7 . . ?
C124 C125 C126 119.2(7) . . ?
C124 C125 H125 120.4 . . ?
C126 C125 H125 120.4 . . ?
C121 C126 C125 120.9(6) . . ?
C121 C126 H126 119.6 . . ?
C125 C126 H126 119.6 . . ?
C136 C131 C132 119.3(6) . . ?
C136 C131 P1 122.7(5) . . ?
C132 C131 P1 118.0(5) . . ?
C133 C132 C131 120.4(7) . . ?
C133 C132 H132 119.8 . . ?
C131 C132 H132 119.8 . . ?
C134 C133 C132 119.3(7) . . ?
C134 C133 H133 120.3 . . ?
C132 C133 H133 120.3 . . ?
C133 C134 C135 120.5(7) . . ?
C133 C134 H134 119.7 . . ?
C135 C134 H134 119.7 . . ?
C136 C135 C134 120.0(7) . . ?
C136 C135 H135 120.0 . . ?
C134 C135 H135 120.0 . . ?
C135 C136 C131 120.4(7) . . ?
C135 C136 H136 119.8 . . ?
C131 C136 H136 119.8 . . ?
N2 C211 N1 128.6(7) . . ?
N2 C211 S1 120.0(6) . . ?
N1 C211 S1 111.5(5) . . ?
C217 C212 C213 121.2(7) . . ?
C217 C212 S1 111.0(6) . . ?
C213 C212 S1 127.8(6) . . ?
C214 C213 C212 117.3(8) . . ?
C214 C213 H4 121.4 . . ?
C212 C213 H4 121.4 . . ?
C213 C214 C215 122.4(8) . . ?
C213 C214 H5 118.8 . . ?
C215 C214 H5 118.8 . . ?
C214 C215 C216 120.5(8) . . ?
C214 C215 H6 119.8 . . ?
C216 C215 H6 119.8 . . ?
C215 C216 C217 118.4(8) . . ?
C215 C216 H7 120.8 . . ?
C217 C216 H7 120.8 . . ?
C212 C217 C216 120.2(7) . . ?
C212 C217 N1 113.3(7) . . ?
C216 C217 N1 126.5(7) . . ?
N1 C218 H3 109.5 . . ?
N1 C218 H1 109.5 . . ?
H3 C218 H1 109.5 . . ?
N1 C218 H2 109.5 . . ?
H3 C218 H2 109.5 . . ?
H1 C218 H2 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
Au1 N2 2.028(6) . ?
Au1 P1 2.2245(18) . ?
S1 C212 1.755(7) . ?
S1 C211 1.770(8) . ?
P1 C111 1.812(7) . ?
P1 C131 1.816(7) . ?
P1 C121 1.827(7) . ?
O1 N4 1.257(8) . ?
N1 C211 1.359(9) . ?
N1 C217 1.403(9) . ?
N1 C218 1.421(9) . ?
O2 N4 1.232(8) . ?
N2 C211 1.289(9) . ?
N2 H8 0.8800 . ?
N4 O3 1.255(8) . ?
C111 C116 1.402(9) . ?
C111 C112 1.404(10) . ?
C112 H112 0.9500 . ?
C113 C114 1.377(10) . ?
C113 C112 1.388(10) . ?
C113 H113 0.9500 . ?
C114 C115 1.379(10) . ?
C114 H114 0.9500 . ?
C115 C116 1.387(10) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C121 C126 1.385(9) . ?
C121 C122 1.388(9) . ?
C122 C123 1.393(10) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C124 C123 1.367(10) . ?
C124 H124 0.9500 . ?
C125 C124 1.383(10) . ?
C125 H125 0.9500 . ?
C126 C125 1.388(10) . ?
C126 H126 0.9500 . ?
C131 C136 1.381(10) . ?
C132 C133 1.385(9) . ?
C132 C131 1.403(9) . ?
C132 H132 0.9500 . ?
C133 C134 1.382(10) . ?
C133 H133 0.9500 . ?
C134 H134 0.9500 . ?
C135 C134 1.387(10) . ?
C135 H135 0.9500 . ?
C136 C135 1.381(9) . ?
C136 H136 0.9500 . ?
C212 C217 1.388(10) . ?
C212 C213 1.403(11) . ?
C213 C214 1.362(11) . ?
C213 H4 0.9500 . ?
C214 H5 0.9500 . ?
C215 C214 1.380(12) . ?
C215 H6 0.9500 . ?
C216 C215 1.385(11) . ?
C216 H7 0.9500 . ?
C217 C216 1.391(10) . ?
C218 H3 0.9800 . ?
C218 H1 0.9800 . ?
C218 H2 0.9800 . ?
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
_geom_torsion_publ_flag
C131 P1 C111 C116 -16.7(7) . . . . ?
C121 P1 C111 C116 95.3(6) . . . . ?
Au1 P1 C111 C116 -140.4(5) . . . . ?
C131 P1 C111 C112 168.3(6) . . . . ?
C121 P1 C111 C112 -79.8(6) . . . . ?
Au1 P1 C111 C112 44.5(6) . . . . ?
C112 C113 C114 C115 -0.3(11) . . . . ?
C114 C113 C112 C111 1.6(11) . . . . ?
C116 C111 C112 C113 -2.1(11) . . . . ?
P1 C111 C112 C113 173.1(5) . . . . ?
C111 P1 C121 C126 -20.7(6) . . . . ?
C131 P1 C121 C126 91.8(6) . . . . ?
Au1 P1 C121 C126 -143.9(5) . . . . ?
C111 P1 C121 C122 156.8(5) . . . . ?
C131 P1 C121 C122 -90.8(6) . . . . ?
Au1 P1 C121 C122 33.5(6) . . . . ?
C113 C114 C115 C116 -0.5(11) . . . . ?
C122 C121 C126 C125 0.7(10) . . . . ?
P1 C121 C126 C125 178.1(5) . . . . ?
C121 C126 C125 C124 -0.5(11) . . . . ?
C114 C115 C116 C111 0.0(11) . . . . ?
C112 C111 C116 C115 1.3(10) . . . . ?
P1 C111 C116 C115 -173.7(5) . . . . ?
C126 C121 C122 C123 -0.8(10) . . . . ?
P1 C121 C122 C123 -178.3(5) . . . . ?
C126 C125 C124 C123 0.5(11) . . . . ?
C125 C124 C123 C122 -0.7(11) . . . . ?
C121 C122 C123 C124 0.8(11) . . . . ?
C133 C132 C131 C136 -1.0(10) . . . . ?
C133 C132 C131 P1 -179.1(5) . . . . ?
C111 P1 C131 C136 88.3(6) . . . . ?
C121 P1 C131 C136 -21.3(7) . . . . ?
Au1 P1 C131 C136 -147.2(5) . . . . ?
C111 P1 C131 C132 -93.7(6) . . . . ?
C121 P1 C131 C132 156.7(5) . . . . ?
Au1 P1 C131 C132 30.8(6) . . . . ?
C132 C131 C136 C135 -0.1(10) . . . . ?
P1 C131 C136 C135 177.9(5) . . . . ?
C131 C132 C133 C134 1.6(10) . . . . ?
C131 C136 C135 C134 0.6(11) . . . . ?
C132 C133 C134 C135 -1.1(11) . . . . ?
C136 C135 C134 C133 0.0(11) . . . . ?
Au1 N2 C211 N1 -174.0(5) . . . . ?
Au1 N2 C211 S1 5.0(9) . . . . ?
C217 N1 C211 N2 178.4(7) . . . . ?
C218 N1 C211 N2 -1.9(12) . . . . ?
C217 N1 C211 S1 -0.7(8) . . . . ?
C218 N1 C211 S1 179.0(6) . . . . ?
C212 S1 C211 N2 -178.6(6) . . . . ?
C212 S1 C211 N1 0.5(6) . . . . ?
C211 S1 C212 C217 -0.2(6) . . . . ?
C211 S1 C212 C213 -179.5(7) . . . . ?
C213 C212 C217 C216 -0.5(11) . . . . ?
S1 C212 C217 C216 -179.9(6) . . . . ?
C213 C212 C217 N1 179.2(7) . . . . ?
S1 C212 C217 N1 -0.1(8) . . . . ?
C211 N1 C217 C212 0.5(9) . . . . ?
C218 N1 C217 C212 -179.2(7) . . . . ?
C211 N1 C217 C216 -179.7(7) . . . . ?
C218 N1 C217 C216 0.5(11) . . . . ?
C212 C217 C216 C215 0.1(11) . . . . ?
N1 C217 C216 C215 -179.6(7) . . . . ?
C217 C212 C213 C214 2.1(11) . . . . ?
S1 C212 C213 C214 -178.8(6) . . . . ?
C217 C216 C215 C214 -1.3(11) . . . . ?
C212 C213 C214 C215 -3.3(12) . . . . ?
C216 C215 C214 C213 2.9(13) . . . . ?
