#------------------------------------------------------------------------------
#$Date: 2019-12-27 19:44:51 +0200 (Fri, 27 Dec 2019) $
#$Revision: 246229 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/19/2311985.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2311985
loop_
_publ_author_name
'Döring, Cindy'
'Sui, Zhihong'
'Jones, Peter G.'
_publ_section_title
;
 3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of
 [(3,4-lut)₂H]⁺·[AuI₂]⁻
 and of two polymorphs of
 [(3,4-lut)₂H⁺]₂·[AuI₂]⁻·I<sup/>.
;
_journal_coeditor_code           KY3135
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              289
_journal_page_last               294
_journal_paper_doi               10.1107/S2053229618002218
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '(C14 H19 N2)2 [Au I2] I'
_chemical_formula_moiety         '2(C14 H19 N2 1+), Au I2 1-, I 1-'
_chemical_formula_sum            'C28 H38 Au I3 N4'
_chemical_formula_weight         1008.29
_chemical_name_systematic
;
Bis(3,4-dimethylpyridine--3,4-dimethylpyridinium) diiodidoaurate(I) iodide
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 102.552(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.7528(2)
_cell_length_b                   14.5978(5)
_cell_length_c                   14.4806(4)
_cell_measurement_reflns_used    19240
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.6570
_cell_measurement_theta_min      2.6830
_cell_volume                     1599.66(8)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
XP (Siemens, 1994)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1419
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Eos'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            86977
_diffrn_reflns_theta_full        30.000
_diffrn_reflns_theta_max         31.100
_diffrn_reflns_theta_min         2.692
_exptl_absorpt_coefficient_mu    7.516
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.932
_refine_diff_density_min         -1.068
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.400(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         9602
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0265
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0163P)²+1.8411P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0458
_refine_ls_wR_factor_ref         0.0482
_reflns_number_gt                8806
_reflns_number_total             9602
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ky3135sup1.cif
_cod_data_source_block           2a
_cod_original_cell_volume        1599.65(8)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2311985
_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   0.255
_shelx_estimated_absorpt_t_max   0.753
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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_occupancy
Au Au1 -0.08775(3) 0.25392(2) 0.28981(2) 0.01814(5) Uani d 1
I I1 -0.05892(5) 0.26878(3) 0.46711(2) 0.02156(9) Uani d 1
I I2 -0.10926(5) 0.23401(2) 0.11347(3) 0.02075(9) Uani d 1
I I3 -0.10057(4) 0.74907(3) 0.23916(2) 0.01663(7) Uani d 1
N N11 0.5106(7) 0.6695(3) 0.3811(4) 0.0173(11) Uani d 1
H H01 0.522(8) 0.726(3) 0.373(4) 0.021 Uiso d 1
C C12 0.3438(9) 0.6363(4) 0.3717(5) 0.0168(12) Uani d 1
H H12 0.2474 0.6779 0.3629 0.020 Uiso calc 1
C C13 0.3119(8) 0.5445(4) 0.3746(4) 0.0144(12) Uani d 1
C C14 0.4559(8) 0.4842(4) 0.3883(4) 0.0171(12) Uani d 1
C C15 0.6256(8) 0.5210(4) 0.4000(4) 0.0161(12) Uani d 1
H H15 0.7252 0.4814 0.4109 0.019 Uiso calc 1
C C16 0.6493(8) 0.6136(4) 0.3959(4) 0.0171(12) Uani d 1
H H16 0.7652 0.6380 0.4036 0.021 Uiso calc 1
C C17 0.1250(9) 0.5105(5) 0.3649(5) 0.0227(14) Uani d 1
H H17A 0.0427 0.5620 0.3492 0.034 Uiso calc 1
H H17B 0.1121 0.4830 0.4248 0.034 Uiso calc 1
H H17C 0.0988 0.4645 0.3145 0.034 Uiso calc 1
C C18 0.4269(9) 0.3826(4) 0.3881(5) 0.0228(14) Uani d 1
H H18A 0.3633 0.3632 0.3251 0.034 Uiso calc 1
H H18B 0.3571 0.3670 0.4348 0.034 Uiso calc 1
H H18C 0.5413 0.3513 0.4043 0.034 Uiso calc 1
N N21 0.5053(7) 0.8572(3) 0.3660(4) 0.0178(11) Uani d 1
C C22 0.3418(8) 0.8922(4) 0.3546(4) 0.0158(12) Uani d 1
H H22 0.2462 0.8505 0.3498 0.019 Uiso calc 1
C C23 0.3030(8) 0.9850(4) 0.3494(4) 0.0155(12) Uani d 1
C C24 0.4433(8) 1.0468(4) 0.3569(4) 0.0153(11) Uani d 1
C C25 0.6139(9) 1.0112(4) 0.3685(5) 0.0187(13) Uani d 1
H H25 0.7121 1.0512 0.3737 0.022 Uiso calc 1
C C26 0.6390(8) 0.9168(4) 0.3723(5) 0.0189(13) Uani d 1
H H26 0.7557 0.8937 0.3797 0.023 Uiso calc 1
C C27 0.1144(8) 1.0162(4) 0.3371(5) 0.0233(15) Uani d 1
H H27A 0.0361 0.9627 0.3277 0.035 Uiso calc 1
H H27B 0.0840 1.0564 0.2818 0.035 Uiso calc 1
H H27C 0.1003 1.0496 0.3936 0.035 Uiso calc 1
C C28 0.4134(9) 1.1483(4) 0.3518(5) 0.0250(14) Uani d 1
H H28A 0.3604 1.1677 0.4042 0.038 Uiso calc 1
H H28B 0.3337 1.1638 0.2915 0.038 Uiso calc 1
H H28C 0.5266 1.1798 0.3563 0.038 Uiso calc 1
N N31 0.2902(7) 0.8332(3) 0.1217(4) 0.0167(11) Uani d 1
H H02 0.282(8) 0.777(3) 0.128(4) 0.020 Uiso d 1
C C32 0.4550(8) 0.8656(4) 0.1297(4) 0.0171(12) Uani d 1
H H32 0.5519 0.8243 0.1442 0.020 Uiso calc 1
C C33 0.4868(8) 0.9567(4) 0.1175(4) 0.0160(12) Uani d 1
C C34 0.3426(8) 1.0168(4) 0.0961(4) 0.0180(12) Uani d 1
C C35 0.1724(8) 0.9803(4) 0.0886(4) 0.0188(12) Uani d 1
H H35 0.0726 1.0197 0.0746 0.023 Uiso calc 1
C C36 0.1490(8) 0.8884(4) 0.1014(4) 0.0187(12) Uani d 1
H H36 0.0335 0.8642 0.0959 0.022 Uiso calc 1
C C37 0.6729(8) 0.9905(4) 0.1281(5) 0.0217(14) Uani d 1
H H37A 0.7551 0.9390 0.1442 0.032 Uiso calc 1
H H37B 0.6982 1.0364 0.1786 0.032 Uiso calc 1
H H37C 0.6870 1.0181 0.0685 0.032 Uiso calc 1
C C38 0.3669(9) 1.1165(4) 0.0803(5) 0.0242(14) Uani d 1
H H38A 0.2521 1.1474 0.0698 0.036 Uiso calc 1
H H38B 0.4183 1.1247 0.0247 0.036 Uiso calc 1
H H38C 0.4462 1.1427 0.1360 0.036 Uiso calc 1
N N41 0.2987(7) 0.6421(3) 0.1351(4) 0.0162(10) Uani d 1
C C42 0.4627(8) 0.6074(4) 0.1483(4) 0.0161(12) Uani d 1
H H42 0.5586 0.6494 0.1600 0.019 Uiso calc 1
C C43 0.5027(8) 0.5150(4) 0.1460(4) 0.0163(12) Uani d 1
C C44 0.3611(8) 0.4529(4) 0.1298(4) 0.0172(12) Uani d 1
C C45 0.1914(8) 0.4886(4) 0.1181(4) 0.0191(12) Uani d 1
H H45 0.0926 0.4484 0.1084 0.023 Uiso calc 1
C C46 0.1659(8) 0.5819(4) 0.1205(4) 0.0172(12) Uani d 1
H H46 0.0484 0.6045 0.1114 0.021 Uiso calc 1
C C47 0.6914(8) 0.4838(4) 0.1627(5) 0.0228(14) Uani d 1
H H47A 0.7699 0.5368 0.1779 0.034 Uiso calc 1
H H47B 0.7122 0.4538 0.1056 0.034 Uiso calc 1
H H47C 0.7151 0.4404 0.2156 0.034 Uiso calc 1
C C48 0.3916(9) 0.3520(4) 0.1237(5) 0.0278(15) Uani d 1
H H48A 0.4807 0.3323 0.1790 0.042 Uiso calc 1
H H48B 0.4333 0.3385 0.0660 0.042 Uiso calc 1
H H48C 0.2808 0.3192 0.1222 0.042 Uiso calc 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
I1 Au1 I2 177.920(17) y
C16 N11 C12 121.0(5) y
N11 C12 C13 121.5(6) ?
C12 C13 C14 118.5(6) ?
C12 C13 C17 119.8(6) ?
C14 C13 C17 121.8(5) ?
C15 C14 C13 118.4(6) ?
C15 C14 C18 121.2(5) ?
C13 C14 C18 120.4(6) ?
C16 C15 C14 120.5(6) ?
N11 C16 C15 120.1(6) ?
C26 N21 C22 117.1(5) y
N21 C22 C23 124.5(5) ?
C22 C23 C24 118.0(6) ?
C22 C23 C27 119.7(5) ?
C24 C23 C27 122.3(5) ?
C25 C24 C23 118.0(5) ?
C25 C24 C28 120.4(5) ?
C23 C24 C28 121.6(5) ?
C26 C25 C24 119.6(6) ?
N21 C26 C25 122.8(6) ?
C36 N31 C32 121.5(5) y
N31 C32 C33 121.6(5) ?
C32 C33 C34 118.6(6) ?
C32 C33 C37 120.1(5) ?
C34 C33 C37 121.3(5) ?
C33 C34 C35 118.1(5) ?
C33 C34 C38 121.6(6) ?
C35 C34 C38 120.4(6) ?
C36 C35 C34 120.6(6) ?
N31 C36 C35 119.5(6) ?
C46 N41 C42 116.7(5) y
N41 C42 C43 124.9(5) ?
C42 C43 C44 117.5(5) ?
C42 C43 C47 120.4(5) ?
C44 C43 C47 122.1(6) ?
C45 C44 C43 117.6(5) ?
C45 C44 C48 121.2(6) ?
C43 C44 C48 121.1(6) ?
C46 C45 C44 120.3(5) ?
N41 C46 C45 123.0(5) ?
C16 N11 H01 121(4) ?
C12 N11 H01 117(4) ?
N11 C12 H12 119.3 ?
C13 C12 H12 119.3 ?
C16 C15 H15 119.8 ?
C14 C15 H15 119.8 ?
N11 C16 H16 119.9 ?
C15 C16 H16 119.9 ?
C13 C17 H17A 109.5 ?
C13 C17 H17B 109.5 ?
H17A C17 H17B 109.5 ?
C13 C17 H17C 109.5 ?
H17A C17 H17C 109.5 ?
H17B C17 H17C 109.5 ?
C14 C18 H18A 109.5 ?
C14 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C14 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
N21 C22 H22 117.7 ?
C23 C22 H22 117.7 ?
C26 C25 H25 120.2 ?
C24 C25 H25 120.2 ?
N21 C26 H26 118.6 ?
C25 C26 H26 118.6 ?
C23 C27 H27A 109.5 ?
C23 C27 H27B 109.5 ?
H27A C27 H27B 109.5 ?
C23 C27 H27C 109.5 ?
H27A C27 H27C 109.5 ?
H27B C27 H27C 109.5 ?
C24 C28 H28A 109.5 ?
C24 C28 H28B 109.5 ?
H28A C28 H28B 109.5 ?
C24 C28 H28C 109.5 ?
H28A C28 H28C 109.5 ?
H28B C28 H28C 109.5 ?
C36 N31 H02 123(4) ?
C32 N31 H02 116(4) ?
N31 C32 H32 119.2 ?
C33 C32 H32 119.2 ?
C36 C35 H35 119.7 ?
C34 C35 H35 119.7 ?
N31 C36 H36 120.2 ?
C35 C36 H36 120.2 ?
C33 C37 H37A 109.5 ?
C33 C37 H37B 109.5 ?
H37A C37 H37B 109.5 ?
C33 C37 H37C 109.5 ?
H37A C37 H37C 109.5 ?
H37B C37 H37C 109.5 ?
C34 C38 H38A 109.5 ?
C34 C38 H38B 109.5 ?
H38A C38 H38B 109.5 ?
C34 C38 H38C 109.5 ?
H38A C38 H38C 109.5 ?
H38B C38 H38C 109.5 ?
N41 C42 H42 117.5 ?
C43 C42 H42 117.5 ?
C46 C45 H45 119.9 ?
C44 C45 H45 119.9 ?
N41 C46 H46 118.5 ?
C45 C46 H46 118.5 ?
C43 C47 H47A 109.5 ?
C43 C47 H47B 109.5 ?
H47A C47 H47B 109.5 ?
C43 C47 H47C 109.5 ?
H47A C47 H47C 109.5 ?
H47B C47 H47C 109.5 ?
C44 C48 H48A 109.5 ?
C44 C48 H48B 109.5 ?
H48A C48 H48B 109.5 ?
C44 C48 H48C 109.5 ?
H48A C48 H48C 109.5 ?
H48B C48 H48C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 I1 2.5375(4) y
Au1 I2 2.5393(4) y
N11 C16 1.330(8) ?
N11 C12 1.360(8) ?
C12 C13 1.365(8) ?
C13 C14 1.401(8) ?
C13 C17 1.509(9) ?
C14 C15 1.396(9) ?
C14 C18 1.500(9) ?
C15 C16 1.367(8) ?
N21 C26 1.341(8) ?
N21 C22 1.344(8) ?
C22 C23 1.386(8) ?
C23 C24 1.398(9) ?
C23 C27 1.504(9) ?
C24 C25 1.396(9) ?
C24 C28 1.500(8) ?
C25 C26 1.390(8) ?
N31 C36 1.340(8) ?
N31 C32 1.343(8) ?
C32 C33 1.371(8) ?
C33 C34 1.402(8) ?
C33 C37 1.501(8) ?
C34 C35 1.405(9) ?
C34 C38 1.491(8) ?
C35 C36 1.371(8) ?
N41 C46 1.335(7) ?
N41 C42 1.343(8) ?
C42 C43 1.387(8) ?
C43 C44 1.403(8) ?
C43 C47 1.501(9) ?
C44 C45 1.391(8) ?
C44 C48 1.497(8) ?
C45 C46 1.378(8) ?
N11 H01 0.84(5) ?
C12 H12 0.9500 ?
C15 H15 0.9500 ?
C16 H16 0.9500 ?
C17 H17A 0.9800 ?
C17 H17B 0.9800 ?
C17 H17C 0.9800 ?
C18 H18A 0.9800 ?
C18 H18B 0.9800 ?
C18 H18C 0.9800 ?
C22 H22 0.9500 ?
C25 H25 0.9500 ?
C26 H26 0.9500 ?
C27 H27A 0.9800 ?
C27 H27B 0.9800 ?
C27 H27C 0.9800 ?
C28 H28A 0.9800 ?
C28 H28B 0.9800 ?
C28 H28C 0.9800 ?
N31 H02 0.83(5) ?
C32 H32 0.9500 ?
C35 H35 0.9500 ?
C36 H36 0.9500 ?
C37 H37A 0.9800 ?
C37 H37B 0.9800 ?
C37 H37C 0.9800 ?
C38 H38A 0.9800 ?
C38 H38B 0.9800 ?
C38 H38C 0.9800 ?
C42 H42 0.9500 ?
C45 H45 0.9500 ?
C46 H46 0.9500 ?
C47 H47A 0.9800 ?
C47 H47B 0.9800 ?
C47 H47C 0.9800 ?
C48 H48A 0.9800 ?
C48 H48B 0.9800 ?
C48 H48C 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N11 H01 N21 . 0.84(5) 1.92(5) 2.748(7) 168(6)
N31 H02 N41 . 0.83(5) 1.98(5) 2.796(7) 170(6)
C12 H12 I3 . 0.95 3.08 3.923(6) 149.1
C16 H16 I3 1_655 0.95 3.23 3.839(6) 123.3
C17 H17A I3 . 0.98 3.23 4.138(7) 153.9
C22 H22 I3 . 0.95 3.18 4.053(6) 153.6
C32 H32 I3 1_655 0.95 2.96 3.860(6) 159.2
C36 H36 I3 . 0.95 3.02 3.680(6) 127.4
C37 H37A I3 1_655 0.98 3.19 4.106(6) 156.7
C42 H42 I3 1_655 0.95 3.02 3.941(6) 165.1
C46 H46 I3 . 0.95 3.18 3.836(6) 127.3
C16 H16 I1 2_656 0.95 3.24 4.052(6) 144.8
C48 H48C I2 . 0.98 3.25 4.221(7) 173.2
C27 H27B Au1 1_565 0.98 3.19 3.809(6) 122.7
C47 H47C Au1 1_655 0.98 3.19 4.026(6) 144.0
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
C16 N11 C12 C13 -1.7(9)
N11 C12 C13 C14 0.5(9)
N11 C12 C13 C17 179.3(6)
C12 C13 C14 C15 1.1(9)
C17 C13 C14 C15 -177.7(6)
C12 C13 C14 C18 -177.6(5)
C17 C13 C14 C18 3.7(9)
C13 C14 C15 C16 -1.5(9)
C18 C14 C15 C16 177.1(6)
C12 N11 C16 C15 1.3(9)
C14 C15 C16 N11 0.3(9)
C26 N21 C22 C23 -0.3(10)
N21 C22 C23 C24 -0.3(9)
N21 C22 C23 C27 -179.7(6)
C22 C23 C24 C25 0.5(9)
C27 C23 C24 C25 179.9(6)
C22 C23 C24 C28 179.8(6)
C27 C23 C24 C28 -0.8(10)
C23 C24 C25 C26 -0.1(10)
C28 C24 C25 C26 -179.4(6)
C22 N21 C26 C25 0.7(10)
C24 C25 C26 N21 -0.5(10)
C36 N31 C32 C33 0.0(9)
N31 C32 C33 C34 0.0(9)
N31 C32 C33 C37 179.3(6)
C32 C33 C34 C35 0.2(9)
C37 C33 C34 C35 -179.1(6)
C32 C33 C34 C38 -179.0(6)
C37 C33 C34 C38 1.7(9)
C33 C34 C35 C36 -0.4(9)
C38 C34 C35 C36 178.8(6)
C32 N31 C36 C35 -0.2(9)
C34 C35 C36 N31 0.4(9)
C46 N41 C42 C43 1.2(9)
N41 C42 C43 C44 -0.8(9)
N41 C42 C43 C47 -179.3(6)
C42 C43 C44 C45 -0.6(9)
C47 C43 C44 C45 178.0(6)
C42 C43 C44 C48 178.5(6)
C47 C43 C44 C48 -3.0(10)
C43 C44 C45 C46 1.4(9)
C48 C44 C45 C46 -177.7(6)
C42 N41 C46 C45 -0.4(9)
C44 C45 C46 N41 -0.9(10)
