#------------------------------------------------------------------------------
#$Date: 2022-10-05 00:56:31 +0300 (Wed, 05 Oct 2022) $
#$Revision: 278335 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/07/7130791.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_7130791
loop_
_publ_author_name
'Huffman, Zachary K.'
'Sperling, Joseph M.'
'Windorff, Cory J.'
'Long, Brian N.'
'Cordova, Lucas'
'Ramanantoanina, Harry'
'Celis-Barros, Cristian'
'Albrecht-Schönzart, Thomas E.'
_publ_section_title
;
 Synthesis and characterization of a bimetallic americium(iii)
 pyrithionate coordination complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC03352F
_journal_year                    2022
_chemical_formula_moiety         'C15 H14 Eu N3 O4 S3'
_chemical_formula_sum            'C15 H14 Eu N3 O4 S3'
_chemical_formula_weight         548.43
_chemical_name_systematic        '[Eu(mpo)2(mu-O-mpo)(H2O)]2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-10-06
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_audit_update_record
;
2022-06-14 deposited with the CCDC.	2022-09-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.902(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0543(13)
_cell_length_b                   9.9635(13)
_cell_length_c                   19.422(3)
_cell_measurement_reflns_used    9438
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.88
_cell_volume                     1938.5(5)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            83814
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.332
_diffrn_reflns_theta_min         2.299
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.583
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1235 before and 0.0654 after correction.
The Ratio of minimum to maximum transmission is 0.8710.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.359
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.148
_refine_diff_density_max         0.821
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4822
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0059P)²+4.2713P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0511
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4218
_reflns_number_total             4822
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc03352f2.cif
_cod_data_source_block           b_CCDC1
_cod_original_cell_volume        1938.5(4)
_cod_database_code               7130791
_shelx_shelxl_version_number     2018/3
_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_max   0.619
_shelx_estimated_absorpt_t_min   0.359
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O4(H4A,H4B)
2.b Aromatic/amide H refined with riding coordinates:
 C15(H15), C14(H14), C5(H5), C12(H12), C2(H2), C13(H13), C10(H10), C4(H4),
 C3(H3), C9(H9), C7(H7), C8(H8)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Eu01 Eu 0.34497(2) 0.58588(2) 0.55142(2) 0.02544(4) Uani 1 1 d . . . . .
S1 S 0.07733(8) 0.59562(9) 0.59786(4) 0.03831(19) Uani 1 1 d . . . . .
S3 S 0.58641(9) 0.61012(10) 0.64761(4) 0.0421(2) Uani 1 1 d . . . . .
S2 S 0.37537(11) 0.86527(10) 0.57733(6) 0.0567(3) Uani 1 1 d . . . . .
O3 O 0.51196(19) 0.4065(2) 0.54531(9) 0.0271(4) Uani 1 1 d . . . . .
O2 O 0.2181(2) 0.7129(2) 0.47202(12) 0.0398(5) Uani 1 1 d . . . . .
O4 O 0.2303(2) 0.4239(2) 0.47612(12) 0.0414(5) Uani 1 1 d . . . . .
H4A H 0.273835 0.411479 0.441025 0.062 Uiso 1 1 d R U . . .
H4B H 0.156206 0.456773 0.459699 0.062 Uiso 1 1 d R U . . .
N3 N 0.5559(2) 0.3539(3) 0.60770(12) 0.0288(5) Uani 1 1 d . . . . .
O1 O 0.3119(2) 0.4535(3) 0.64582(14) 0.0609(9) Uani 1 1 d . . . . .
N1 N 0.2059(2) 0.4133(3) 0.67615(14) 0.0391(6) Uani 1 1 d . . . . .
N2 N 0.1929(3) 0.8438(3) 0.47008(17) 0.0468(8) Uani 1 1 d . . . . .
C15 C 0.5534(3) 0.2196(4) 0.6137(2) 0.0435(8) Uani 1 1 d . . . . .
H15 H 0.524450 0.166840 0.575875 0.052 Uiso 1 1 calc R U . . .
C14 C 0.5937(4) 0.1603(5) 0.6759(2) 0.0598(12) Uani 1 1 d . . . . .
H14 H 0.591936 0.067480 0.680700 0.072 Uiso 1 1 calc R U . . .
C1 C 0.0859(3) 0.4713(3) 0.65832(16) 0.0316(6) Uani 1 1 d . . . . .
C5 C 0.2237(4) 0.3166(5) 0.7250(2) 0.0566(11) Uani 1 1 d . . . . .
H5 H 0.308370 0.280659 0.735617 0.068 Uiso 1 1 calc R U . . .
C11 C 0.5945(3) 0.4392(4) 0.66041(15) 0.0357(7) Uani 1 1 d . . . . .
C12 C 0.6362(3) 0.3769(5) 0.72347(18) 0.0524(11) Uani 1 1 d . . . . .
H12 H 0.664416 0.430054 0.761295 0.063 Uiso 1 1 calc R U . . .
C2 C -0.0218(3) 0.4222(4) 0.6925(2) 0.0478(9) Uani 1 1 d . . . . .
H2 H -0.106675 0.456945 0.681006 0.057 Uiso 1 1 calc R U . . .
C13 C 0.6367(4) 0.2404(5) 0.7309(2) 0.0636(13) Uani 1 1 d . . . . .
H13 H 0.666033 0.201898 0.773106 0.076 Uiso 1 1 calc R U . . .
C6 C 0.2597(4) 0.9281(4) 0.5158(3) 0.0579(11) Uani 1 1 d . . . . .
C10 C 0.0997(5) 0.8858(5) 0.4202(3) 0.0745(14) Uani 1 1 d . . . . .
H10 H 0.056781 0.823963 0.390109 0.089 Uiso 1 1 calc R U . . .
C4 C 0.1203(4) 0.2716(5) 0.7587(2) 0.0619(12) Uani 1 1 d . . . . .
H4 H 0.133534 0.205716 0.792486 0.074 Uiso 1 1 calc R U . . .
C3 C -0.0053(4) 0.3246(4) 0.7421(2) 0.0570(11) Uani 1 1 d . . . . .
H3 H -0.077830 0.294475 0.764500 0.068 Uiso 1 1 calc R U . . .
C9 C 0.0692(6) 1.0180(6) 0.4142(4) 0.121(3) Uani 1 1 d . . . . .
H9 H 0.005058 1.047480 0.380195 0.145 Uiso 1 1 calc R U . . .
C7 C 0.2275(5) 1.0642(5) 0.5083(4) 0.108(2) Uani 1 1 d . . . . .
H7 H 0.270816 1.126684 0.537940 0.129 Uiso 1 1 calc R U . . .
C8 C 0.1332(6) 1.1066(6) 0.4582(5) 0.140(4) Uani 1 1 d . . . . .
H8 H 0.112841 1.197513 0.454349 0.168 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'
Eu Eu -0.1578 3.6682 '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'
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
Eu01 Eu01 H4A 62.4 3_666 . ?
Eu01 Eu01 H4B 90.0 3_666 . ?
S1 Eu01 Eu01 154.49(2) . 3_666 ?
S1 Eu01 S3 122.31(3) . . ?
S1 Eu01 H4A 94.3 . . ?
S1 Eu01 H4B 67.6 . . ?
S3 Eu01 Eu01 74.36(2) . 3_666 ?
S3 Eu01 H4A 132.7 . . ?
S3 Eu01 H4B 156.6 . . ?
S2 Eu01 Eu01 114.19(3) . 3_666 ?
S2 Eu01 S1 90.04(3) . . ?
S2 Eu01 S3 74.74(3) . . ?
S2 Eu01 H4A 139.4 . . ?
S2 Eu01 H4B 128.3 . . ?
O3 Eu01 Eu01 31.34(4) . 3_666 ?
O3 Eu01 Eu01 31.32(4) 3_666 3_666 ?
O3 Eu01 S1 133.72(5) . . ?
O3 Eu01 S1 148.28(5) 3_666 . ?
O3 Eu01 S3 63.99(5) . . ?
O3 Eu01 S3 88.73(5) 3_666 . ?
O3 Eu01 S2 131.04(5) . . ?
O3 Eu01 S2 92.50(6) 3_666 . ?
O3 Eu01 O3 62.66(8) . 3_666 ?
O3 Eu01 H4A 69.1 . . ?
O3 Eu01 H4A 64.1 3_666 . ?
O3 Eu01 H4B 86.4 3_666 . ?
O3 Eu01 H4B 93.6 . . ?
O2 Eu01 Eu01 107.29(6) . 3_666 ?
O2 Eu01 S1 73.41(6) . . ?
O2 Eu01 S3 139.62(7) . . ?
O2 Eu01 S2 67.91(7) . . ?
O2 Eu01 O3 78.34(7) . 3_666 ?
O2 Eu01 O3 135.23(7) . . ?
O2 Eu01 O4 75.61(8) . . ?
O2 Eu01 H4A 74.8 . . ?
O2 Eu01 H4B 61.2 . . ?
O2 Eu01 O1 137.71(8) . . ?
O4 Eu01 Eu01 76.97(6) . 3_666 ?
O4 Eu01 S1 78.64(6) . . ?
O4 Eu01 S3 140.13(6) . . ?
O4 Eu01 S2 143.51(6) . . ?
O4 Eu01 O3 77.12(7) . . ?
O4 Eu01 O3 80.67(7) . 3_666 ?
O4 Eu01 H4A 16.6 . . ?
O4 Eu01 H4B 16.7 . . ?
H4A Eu01 H4B 27.7 . . ?
O1 Eu01 Eu01 107.94(7) . 3_666 ?
O1 Eu01 S1 64.70(6) . . ?
O1 Eu01 S3 73.12(7) . . ?
O1 Eu01 S2 116.13(9) . . ?
O1 Eu01 O3 139.26(8) . 3_666 ?
O1 Eu01 O3 76.61(8) . . ?
O1 Eu01 O4 90.31(11) . . ?
O1 Eu01 H4A 102.0 . . ?
O1 Eu01 H4B 96.1 . . ?
C1 S1 Eu01 101.28(10) . . ?
C11 S3 Eu01 92.10(11) . . ?
C6 S2 Eu01 100.26(15) . . ?
Eu01 O3 Eu01 117.34(8) . 3_666 ?
N3 O3 Eu01 121.71(15) . 3_666 ?
N3 O3 Eu01 114.08(15) . . ?
N2 O2 Eu01 130.8(2) . . ?
Eu01 O4 H4A 109.4 . . ?
Eu01 O4 H4B 109.2 . . ?
H4A O4 H4B 104.5 . . ?
O3 N3 C11 118.7(3) . . ?
C15 N3 O3 117.0(3) . . ?
C15 N3 C11 124.3(3) . . ?
N1 O1 Eu01 134.75(19) . . ?
O1 N1 C1 119.4(3) . . ?
O1 N1 C5 117.7(3) . . ?
C5 N1 C1 122.9(3) . . ?
O2 N2 C6 120.4(3) . . ?
O2 N2 C10 116.3(4) . . ?
C10 N2 C6 123.3(4) . . ?
N3 C15 H15 120.1 . . ?
N3 C15 C14 119.9(4) . . ?
C14 C15 H15 120.1 . . ?
C15 C14 H14 120.5 . . ?
C13 C14 C15 118.9(4) . . ?
C13 C14 H14 120.5 . . ?
N1 C1 S1 118.5(2) . . ?
N1 C1 C2 115.9(3) . . ?
C2 C1 S1 125.6(3) . . ?
N1 C5 H5 119.5 . . ?
C4 C5 N1 121.0(3) . . ?
C4 C5 H5 119.5 . . ?
N3 C11 S3 120.2(2) . . ?
N3 C11 C12 115.1(3) . . ?
C12 C11 S3 124.7(3) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 C11 122.0(4) . . ?
C13 C12 H12 119.0 . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.8(3) . . ?
C3 C2 H2 119.1 . . ?
C14 C13 H13 120.1 . . ?
C12 C13 C14 119.9(4) . . ?
C12 C13 H13 120.1 . . ?
N2 C6 S2 119.9(3) . . ?
N2 C6 C7 115.8(4) . . ?
C7 C6 S2 124.3(4) . . ?
N2 C10 H10 120.0 . . ?
N2 C10 C9 120.0(6) . . ?
C9 C10 H10 120.0 . . ?
C5 C4 H4 120.4 . . ?
C5 C4 C3 119.1(4) . . ?
C3 C4 H4 120.4 . . ?
C2 C3 C4 119.2(4) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C10 C9 H9 120.4 . . ?
C8 C9 C10 119.2(6) . . ?
C8 C9 H9 120.4 . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 120.9(6) . . ?
C8 C7 H7 119.5 . . ?
C9 C8 C7 120.8(5) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
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
Eu01 Eu01 4.2072(5) 3_666 ?
Eu01 S1 2.9118(8) . ?
Eu01 S3 2.9438(9) . ?
Eu01 S2 2.8407(11) . ?
Eu01 O3 2.4631(19) 3_666 ?
Eu01 O3 2.4623(19) . ?
Eu01 O2 2.296(2) . ?
Eu01 O4 2.405(2) . ?
Eu01 H4A 2.8047 . ?
Eu01 H4B 2.8022 . ?
Eu01 O1 2.306(2) . ?
S1 C1 1.704(3) . ?
S3 C11 1.722(4) . ?
S2 C6 1.714(5) . ?
O3 N3 1.359(3) . ?
O2 N2 1.328(4) . ?
O4 H4A 0.8500 . ?
O4 H4B 0.8503 . ?
N3 C15 1.344(4) . ?
N3 C11 1.361(4) . ?
O1 N1 1.322(3) . ?
N1 C1 1.356(4) . ?
N1 C5 1.354(4) . ?
N2 C6 1.357(5) . ?
N2 C10 1.355(5) . ?
C15 H15 0.9300 . ?
C15 C14 1.374(5) . ?
C14 H14 0.9300 . ?
C14 C13 1.373(7) . ?
C1 C2 1.405(4) . ?
C5 H5 0.9300 . ?
C5 C4 1.351(5) . ?
C11 C12 1.405(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.368(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.370(5) . ?
C13 H13 0.9300 . ?
C6 C7 1.399(6) . ?
C10 H10 0.9300 . ?
C10 C9 1.355(7) . ?
C4 H4 0.9300 . ?
C4 C3 1.382(5) . ?
C3 H3 0.9300 . ?
C9 H9 0.9300 . ?
C9 C8 1.354(10) . ?
C7 H7 0.9300 . ?
C7 C8 1.366(9) . ?
C8 H8 0.9300 . ?
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
Eu01 S1 C1 N1 7.6(3) . . . . ?
Eu01 S1 C1 C2 -172.7(3) . . . . ?
Eu01 S3 C11 N3 34.4(2) . . . . ?
Eu01 S3 C11 C12 -144.1(3) . . . . ?
Eu01 S2 C6 N2 -4.1(4) . . . . ?
Eu01 S2 C6 C7 176.0(5) . . . . ?
Eu01 O3 N3 C15 129.3(2) . . . . ?
Eu01 O3 N3 C15 -80.5(3) 3_666 . . . ?
Eu01 O3 N3 C11 -48.2(3) . . . . ?
Eu01 O3 N3 C11 102.0(2) 3_666 . . . ?
Eu01 O2 N2 C6 8.8(5) . . . . ?
Eu01 O2 N2 C10 -172.0(3) . . . . ?
Eu01 O1 N1 C1 -11.7(5) . . . . ?
Eu01 O1 N1 C5 169.4(3) . . . . ?
S1 C1 C2 C3 -177.9(3) . . . . ?
S3 C11 C12 C13 178.0(3) . . . . ?
S2 C6 C7 C8 -179.5(6) . . . . ?
O3 N3 C15 C14 -178.6(3) . . . . ?
O3 N3 C11 S3 0.3(3) . . . . ?
O3 N3 C11 C12 178.9(2) . . . . ?
O2 N2 C6 S2 -1.1(5) . . . . ?
O2 N2 C6 C7 178.8(4) . . . . ?
O2 N2 C10 C9 -179.3(5) . . . . ?
N3 C15 C14 C13 -0.3(6) . . . . ?
N3 C11 C12 C13 -0.5(5) . . . . ?
O1 N1 C1 S1 -0.7(4) . . . . ?
O1 N1 C1 C2 179.5(3) . . . . ?
O1 N1 C5 C4 179.3(4) . . . . ?
N1 C1 C2 C3 1.9(6) . . . . ?
N1 C5 C4 C3 0.6(8) . . . . ?
N2 C6 C7 C8 0.6(9) . . . . ?
N2 C10 C9 C8 0.3(11) . . . . ?
C15 N3 C11 S3 -177.0(2) . . . . ?
C15 N3 C11 C12 1.5(4) . . . . ?
C15 C14 C13 C12 1.3(6) . . . . ?
C1 N1 C5 C4 0.6(7) . . . . ?
C1 C2 C3 C4 -0.8(7) . . . . ?
C5 N1 C1 S1 178.0(3) . . . . ?
C5 N1 C1 C2 -1.8(5) . . . . ?
C5 C4 C3 C2 -0.5(8) . . . . ?
C11 N3 C15 C14 -1.2(5) . . . . ?
C11 C12 C13 C14 -0.9(6) . . . . ?
C6 N2 C10 C9 -0.1(8) . . . . ?
C6 C7 C8 C9 -0.4(12) . . . . ?
C10 N2 C6 S2 179.7(4) . . . . ?
C10 N2 C6 C7 -0.4(7) . . . . ?
C10 C9 C8 C7 -0.1(13) . . . . ?
