#------------------------------------------------------------------------------
#$Date: 2021-08-26 05:04:31 +0300 (Thu, 26 Aug 2021) $
#$Revision: 268227 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/24/2022436.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_2022436
loop_
_publ_author_name
'Al-Dabbagh, Areej'
'Guo, Zhifang'
'Junk, Peter'
'Wang, Jun'
_publ_section_title
;
 Synthesis and characterization of a range of antimony(I/III)
 N,N'-bis(2,6-diisopropylphenyl)formamidinate complexes
;
_journal_coeditor_code           EP3019
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229621008512
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '[Sb (C25 H35 N2) I2]'
_chemical_formula_moiety         'C25 H35 I2 N2 Sb'
_chemical_formula_sum            'C25 H35 I2 N2 Sb'
_chemical_formula_weight         739.10
_chemical_name_systematic
'[N,N'-Bis(2,6-diisopropylphenyl)formamidinato]diiodidoantimony(III)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_cell_angle_alpha                95.876(2)
_cell_angle_beta                 104.946(2)
_cell_angle_gamma                111.754(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4137(4)
_cell_length_b                   10.5559(4)
_cell_length_c                   14.6097(5)
_cell_measurement_reflns_used    3979
_cell_measurement_temperature    123
_cell_measurement_theta_max      26.23
_cell_measurement_theta_min      2.24
_cell_volume                     1405.65(10)
_computing_cell_refinement
;
SAINT (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009) and
X-SEED (Barbour, 2001)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      123
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0773
_diffrn_reflns_av_unetI/netI     0.0564
_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       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35754
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         1.479
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.191
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.3451
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2012)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_description       cube
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.982
_refine_diff_density_min         -2.243
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     279
_refine_ls_number_reflns         6393
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0710
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1654P)²+0.3766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2052
_refine_ls_wR_factor_ref         0.2265
_reflns_number_gt                4879
_reflns_number_total             6393
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ep3019sup1.cif
_cod_data_source_block           6
_cod_original_cell_volume        1405.64(9)
_cod_database_code               2022436
_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   0.328
_shelx_estimated_absorpt_t_max   0.784
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb1 0.60489(4) 0.42674(5) 0.15250(3) 0.04374(19) Uani d 1 . .
I I2 0.43935(6) 0.24904(6) -0.03233(4) 0.0624(2) Uani d 1 . .
I I1 0.76641(7) 0.27915(9) 0.20995(5) 0.0823(3) Uani d 1 . .
N N2 0.4324(5) 0.3345(5) 0.2076(4) 0.0370(11) Uani d 1 . .
N N1 0.6298(6) 0.4896(6) 0.3236(4) 0.0411(12) Uani d 1 . .
C C14 0.2806(7) 0.2394(6) 0.1704(4) 0.0371(13) Uani d 1 . .
C C15 0.2387(8) 0.1025(7) 0.1865(5) 0.0417(14) Uani d 1 . .
C C13 0.4943(6) 0.4053(6) 0.3000(4) 0.0361(12) Uani d 1 . .
H H13 0.441931 0.394105 0.345197 0.043 Uiso calc 1 . .
C C1 0.7123(6) 0.5753(7) 0.4186(4) 0.0389(13) Uani d 1 . .
C C2 0.7477(7) 0.5161(8) 0.4975(5) 0.0461(15) Uani d 1 . .
C C22 0.1785(7) 0.2835(7) 0.1183(5) 0.0418(14) Uani d 1 . .
C C9 0.7619(7) 0.7209(8) 0.4288(5) 0.0472(15) Uani d 1 . .
C C21 0.0318(8) 0.1926(9) 0.0902(6) 0.0560(19) Uani d 1 . .
H H21 -0.039972 0.221749 0.056874 0.067 Uiso calc 1 . .
C C23 0.2237(8) 0.4274(8) 0.0946(5) 0.0498(16) Uani d 1 . .
H H23 0.329022 0.461303 0.099278 0.060 Uiso calc 1 . .
C C20 -0.0112(8) 0.0617(9) 0.1097(6) 0.060(2) Uani d 1 . .
H H20 -0.112025 0.001350 0.090916 0.073 Uiso calc 1 . .
C C19 0.0907(8) 0.0184(7) 0.1560(6) 0.0545(18) Uani d 1 . .
H H19 0.059014 -0.073181 0.168005 0.065 Uiso calc 1 . .
C C16 0.3477(9) 0.0478(8) 0.2335(6) 0.0576(19) Uani d 1 . .
H H16 0.444462 0.129720 0.261471 0.069 Uiso calc 1 . .
C C7 0.8712(10) 0.7471(10) 0.6002(6) 0.066(2) Uani d 1 . .
H H7 0.924735 0.806089 0.662983 0.079 Uiso calc 1 . .
C C8 0.8405(9) 0.8044(9) 0.5228(6) 0.063(2) Uani d 1 . .
H H8 0.872908 0.903043 0.532422 0.075 Uiso calc 1 . .
C C11 0.7379(8) 0.7837(8) 0.3409(6) 0.060(2) Uani d 1 . .
H H11 0.643553 0.716765 0.291574 0.072 Uiso calc 1 . .
C C3 0.7041(9) 0.3584(9) 0.4853(6) 0.059(2) Uani d 1 . .
H H3 0.664238 0.315931 0.414065 0.071 Uiso calc 1 . .
C C6 0.8259(9) 0.6055(10) 0.5887(5) 0.0583(19) Uani d 1 . .
H H6 0.848091 0.567424 0.643865 0.070 Uiso calc 1 . .
C C24 0.1386(11) 0.4212(12) -0.0100(7) 0.074(3) Uani d 1 . .
H H24A 0.145039 0.349915 -0.054902 0.112 Uiso calc 1 . .
H H24B 0.180486 0.512478 -0.025968 0.112 Uiso calc 1 . .
H H24C 0.036109 0.397233 -0.015689 0.112 Uiso calc 1 . .
C C10 0.8601(11) 0.8003(12) 0.2963(7) 0.078(3) Uani d 1 . .
H H10A 0.953393 0.868913 0.342155 0.117 Uiso calc 1 . .
H H10B 0.839092 0.832626 0.235884 0.117 Uiso calc 1 . .
H H10C 0.865764 0.710086 0.282398 0.117 Uiso calc 1 . .
C C5 0.8329(13) 0.3251(14) 0.5274(11) 0.096(4) Uani d 1 . .
H H5A 0.902071 0.355608 0.491232 0.144 Uiso calc 1 . .
H H5B 0.799369 0.224053 0.522465 0.144 Uiso calc 1 . .
H H5C 0.881017 0.374023 0.595751 0.144 Uiso calc 1 . .
C C4 0.5808(13) 0.2930(12) 0.5293(9) 0.087(3) Uani d 1 . .
H H4A 0.616133 0.333903 0.599113 0.131 Uiso calc 1 . .
H H4B 0.551519 0.191744 0.518965 0.131 Uiso calc 1 . .
H H4C 0.496813 0.312093 0.497687 0.131 Uiso calc 1 . .
C C17 0.3612(16) -0.0492(13) 0.1562(10) 0.098(4) Uani d 1 . .
H H17A 0.266206 -0.127744 0.123813 0.147 Uiso calc 1 . .
H H17B 0.432664 -0.084686 0.186421 0.147 Uiso calc 1 . .
H H17C 0.393524 0.002177 0.108292 0.147 Uiso calc 1 . .
C C12 0.7290(12) 0.9242(11) 0.3616(10) 0.090(3) Uani d 1 . .
H H12A 0.669298 0.920510 0.404052 0.134 Uiso calc 1 . .
H H12B 0.684683 0.944638 0.300325 0.134 Uiso calc 1 . .
H H12C 0.827442 0.997775 0.393559 0.134 Uiso calc 1 . .
C C25 0.2120(17) 0.5308(10) 0.1672(8) 0.091(4) Uani d 1 . .
H H25A 0.113878 0.492986 0.173056 0.137 Uiso calc 1 . .
H H25B 0.230173 0.618780 0.145494 0.137 Uiso calc 1 . .
H H25C 0.284356 0.547994 0.230528 0.137 Uiso calc 1 . .
C C18 0.3170(15) -0.0197(16) 0.3140(10) 0.104(4) Uani d 1 . .
H H18A 0.341442 0.052121 0.371433 0.156 Uiso calc 1 . .
H H18B 0.375904 -0.073390 0.329380 0.156 Uiso calc 1 . .
H H18C 0.213205 -0.082689 0.294515 0.156 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'
I I -0.4742 1.8119 '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'
Sb Sb -0.5866 1.5461 '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
_geom_angle_publ_flag
I1 Sb1 I2 . . 95.93(3) y
C13 Sb1 I1 . . 120.55(10) y
C13 Sb1 I2 . . 94.87(15) y
N2 Sb1 I2 . . 91.24(13) ?
N2 Sb1 I1 . . 100.11(15) ?
N2 Sb1 N1 . . 57.86(17) ?
N1 Sb1 I2 . . 148.77(12) ?
N1 Sb1 I1 . . 86.23(14) ?
C14 N2 Sb1 . . 137.9(4) ?
C13 N2 Sb1 . . 100.1(4) ?
C13 N2 C14 . . 121.5(5) ?
C13 N1 Sb1 . . 86.3(4) ?
C13 N1 C1 . . 123.0(6) ?
C1 N1 Sb1 . . 150.2(4) ?
C15 C14 N2 . . 118.9(6) ?
C22 C14 N2 . . 119.6(5) ?
C22 C14 C15 . . 121.5(6) ?
C14 C15 C16 . . 122.5(6) ?
C19 C15 C14 . . 116.8(7) ?
C19 C15 C16 . . 120.7(6) ?
N2 C13 H13 . . 122.3 ?
N1 C13 N2 . . 115.5(6) ?
N1 C13 H13 . . 122.3 ?
C2 C1 N1 . . 120.8(6) ?
C2 C1 C9 . . 121.6(6) ?
C9 C1 N1 . . 117.5(6) ?
C1 C2 C3 . . 121.8(6) ?
C6 C2 C1 . . 117.9(7) ?
C6 C2 C3 . . 120.3(7) ?
C14 C22 C23 . . 121.8(6) ?
C21 C22 C14 . . 117.9(6) ?
C21 C22 C23 . . 120.2(7) ?
C1 C9 C11 . . 120.8(6) ?
C8 C9 C1 . . 117.2(7) ?
C8 C9 C11 . . 121.9(7) ?
C22 C21 H21 . . 119.4 ?
C20 C21 C22 . . 121.1(8) ?
C20 C21 H21 . . 119.4 ?
C22 C23 H23 . . 107.1 ?
C22 C23 C24 . . 111.7(7) ?
C24 C23 H23 . . 107.1 ?
C25 C23 C22 . . 111.7(7) ?
C25 C23 H23 . . 107.1 ?
C25 C23 C24 . . 111.8(8) ?
C21 C20 H20 . . 120.1 ?
C19 C20 C21 . . 119.8(7) ?
C19 C20 H20 . . 120.1 ?
C15 C19 H19 . . 118.7 ?
C20 C19 C15 . . 122.6(7) ?
C20 C19 H19 . . 118.7 ?
C15 C16 H16 . . 107.1 ?
C15 C16 C17 . . 109.1(8) ?
C17 C16 H16 . . 107.1 ?
C18 C16 C15 . . 114.4(8) ?
C18 C16 H16 . . 107.1 ?
C18 C16 C17 . . 111.5(9) ?
C8 C7 H7 . . 119.6 ?
C8 C7 C6 . . 120.8(7) ?
C6 C7 H7 . . 119.6 ?
C9 C8 H8 . . 119.3 ?
C7 C8 C9 . . 121.3(8) ?
C7 C8 H8 . . 119.3 ?
C9 C11 H11 . . 107.9 ?
C9 C11 C10 . . 109.8(7) ?
C9 C11 C12 . . 114.2(8) ?
C10 C11 H11 . . 107.9 ?
C12 C11 H11 . . 107.9 ?
C12 C11 C10 . . 109.1(9) ?
C2 C3 H3 . . 107.5 ?
C2 C3 C4 . . 110.3(8) ?
C5 C3 C2 . . 112.0(8) ?
C5 C3 H3 . . 107.5 ?
C5 C3 C4 . . 111.7(8) ?
C4 C3 H3 . . 107.5 ?
C2 C6 H6 . . 119.5 ?
C7 C6 C2 . . 121.1(7) ?
C7 C6 H6 . . 119.5 ?
C23 C24 H24A . . 109.5 ?
C23 C24 H24B . . 109.5 ?
C23 C24 H24C . . 109.5 ?
H24A C24 H24B . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C11 C10 H10A . . 109.5 ?
C11 C10 H10B . . 109.5 ?
C11 C10 H10C . . 109.5 ?
H10A C10 H10B . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C3 C5 H5A . . 109.5 ?
C3 C5 H5B . . 109.5 ?
C3 C5 H5C . . 109.5 ?
H5A C5 H5B . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
C3 C4 H4A . . 109.5 ?
C3 C4 H4B . . 109.5 ?
C3 C4 H4C . . 109.5 ?
H4A C4 H4B . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C16 C17 H17A . . 109.5 ?
C16 C17 H17B . . 109.5 ?
C16 C17 H17C . . 109.5 ?
H17A C17 H17B . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12B . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C23 C25 H25A . . 109.5 ?
C23 C25 H25B . . 109.5 ?
C23 C25 H25C . . 109.5 ?
H25A C25 H25B . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C16 C18 H18A . . 109.5 ?
C16 C18 H18B . . 109.5 ?
C16 C18 H18C . . 109.5 ?
H18A C18 H18B . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sb1 I2 . 2.8190(6) y
Sb1 I1 . 2.7282(8) y
Sb1 N2 . 2.105(5) y
Sb1 N1 . 2.441(5) y
N2 C14 . 1.439(7) ?
N2 C13 . 1.336(8) ?
N1 C13 . 1.287(8) ?
N1 C1 . 1.426(8) ?
C14 C15 . 1.411(9) ?
C14 C22 . 1.396(9) ?
C15 C19 . 1.383(10) ?
C15 C16 . 1.502(11) ?
C13 H13 . 0.9500 ?
C1 C2 . 1.398(9) ?
C1 C9 . 1.406(9) ?
C2 C3 . 1.532(11) ?
C2 C6 . 1.394(10) ?
C22 C21 . 1.390(9) ?
C22 C23 . 1.520(10) ?
C9 C8 . 1.404(10) ?
C9 C11 . 1.510(11) ?
C21 H21 . 0.9500 ?
C21 C20 . 1.372(13) ?
C23 H23 . 1.0000 ?
C23 C24 . 1.536(11) ?
C23 C25 . 1.504(13) ?
C20 H20 . 0.9500 ?
C20 C19 . 1.358(12) ?
C19 H19 . 0.9500 ?
C16 H16 . 1.0000 ?
C16 C17 . 1.515(15) ?
C16 C18 . 1.480(15) ?
C7 H7 . 0.9500 ?
C7 C8 . 1.358(13) ?
C7 C6 . 1.368(13) ?
C8 H8 . 0.9500 ?
C11 H11 . 1.0000 ?
C11 C10 . 1.536(14) ?
C11 C12 . 1.525(14) ?
C3 H3 . 1.0000 ?
C3 C5 . 1.506(15) ?
C3 C4 . 1.548(14) ?
C6 H6 . 0.9500 ?
C24 H24A . 0.9800 ?
C24 H24B . 0.9800 ?
C24 H24C . 0.9800 ?
C10 H10A . 0.9800 ?
C10 H10B . 0.9800 ?
C10 H10C . 0.9800 ?
C5 H5A . 0.9800 ?
C5 H5B . 0.9800 ?
C5 H5C . 0.9800 ?
C4 H4A . 0.9800 ?
C4 H4B . 0.9800 ?
C4 H4C . 0.9800 ?
C17 H17A . 0.9800 ?
C17 H17B . 0.9800 ?
C17 H17C . 0.9800 ?
C12 H12A . 0.9800 ?
C12 H12B . 0.9800 ?
C12 H12C . 0.9800 ?
C25 H25A . 0.9800 ?
C25 H25B . 0.9800 ?
C25 H25C . 0.9800 ?
C18 H18A . 0.9800 ?
C18 H18B . 0.9800 ?
C18 H18C . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Sb1 N2 C14 C15 . . . . 107.9(7) ?
Sb1 N2 C14 C22 . . . . -71.2(9) ?
Sb1 N2 C13 N1 . . . . -5.1(6) ?
Sb1 N1 C13 N2 . . . . 4.4(5) ?
Sb1 N1 C1 C2 . . . . -122.5(8) ?
Sb1 N1 C1 C9 . . . . 54.6(12) ?
N2 C14 C15 C19 . . . . 175.2(6) ?
N2 C14 C15 C16 . . . . -5.4(10) ?
N2 C14 C22 C21 . . . . -175.0(6) ?
N2 C14 C22 C23 . . . . 3.3(10) ?
N1 C1 C2 C3 . . . . 1.9(11) ?
N1 C1 C2 C6 . . . . -178.6(7) ?
N1 C1 C9 C8 . . . . 178.7(7) ?
N1 C1 C9 C11 . . . . -4.4(10) ?
C14 N2 C13 N1 . . . . -178.3(6) ?
C14 C15 C19 C20 . . . . 2.2(11) ?
C14 C15 C16 C17 . . . . -103.9(9) ?
C14 C15 C16 C18 . . . . 130.4(9) ?
C14 C22 C21 C20 . . . . -2.5(11) ?
C14 C22 C23 C24 . . . . 138.0(7) ?
C14 C22 C23 C25 . . . . -96.0(10) ?
C15 C14 C22 C21 . . . . 5.9(10) ?
C15 C14 C22 C23 . . . . -175.7(7) ?
C13 N2 C14 C15 . . . . -82.1(8) ?
C13 N2 C14 C22 . . . . 98.8(7) ?
C13 N1 C1 C2 . . . . 68.7(9) ?
C13 N1 C1 C9 . . . . -114.2(7) ?
C1 N1 C13 N2 . . . . 178.8(6) ?
C1 C2 C3 C5 . . . . 126.6(9) ?
C1 C2 C3 C4 . . . . -108.3(9) ?
C1 C2 C6 C7 . . . . -2.4(12) ?
C1 C9 C8 C7 . . . . 2.0(12) ?
C1 C9 C11 C10 . . . . -84.6(9) ?
C1 C9 C11 C12 . . . . 152.4(8) ?
C2 C1 C9 C8 . . . . -4.2(11) ?
C2 C1 C9 C11 . . . . 172.6(7) ?
C22 C14 C15 C19 . . . . -5.8(10) ?
C22 C14 C15 C16 . . . . 173.7(7) ?
C22 C21 C20 C19 . . . . -1.0(13) ?
C9 C1 C2 C3 . . . . -175.1(7) ?
C9 C1 C2 C6 . . . . 4.4(11) ?
C21 C22 C23 C24 . . . . -43.7(10) ?
C21 C22 C23 C25 . . . . 82.3(10) ?
C21 C20 C19 C15 . . . . 1.1(13) ?
C23 C22 C21 C20 . . . . 179.1(7) ?
C19 C15 C16 C17 . . . . 75.6(10) ?
C19 C15 C16 C18 . . . . -50.2(11) ?
C16 C15 C19 C20 . . . . -177.3(8) ?
C8 C9 C11 C10 . . . . 92.0(10) ?
C8 C9 C11 C12 . . . . -30.9(11) ?
C8 C7 C6 C2 . . . . 0.3(15) ?
C11 C9 C8 C7 . . . . -174.8(9) ?
C3 C2 C6 C7 . . . . 177.1(8) ?
C6 C2 C3 C5 . . . . -52.9(11) ?
C6 C2 C3 C4 . . . . 72.2(10) ?
C6 C7 C8 C9 . . . . -0.1(15) ?

_cod_database_fobs_code 2022436
