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#$Date: 2020-11-06 14:08:46 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258818 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/55/7705509.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_7705509
loop_
_publ_author_name
'Guo, Zhifang'
'Blair, Victoria L.'
'Deacon, Glen B.'
'Junk, Peter C.'
_publ_section_title
;
 Widely contrasting outcomes from the use of
 tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in
 the reactions of lanthanoid metals with
 N,N'-diarylformamidines.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13588
_journal_page_last               13600
_journal_paper_doi               10.1039/d0dt03044a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C36 H24 F8 I N6 Tb, C7 H8'
_chemical_formula_sum            'C43 H32 F8 I N6 Tb'
_chemical_formula_weight         1070.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-08-21
_audit_creation_method
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_audit_update_record
;
2020-08-21 deposited with the CCDC.	2020-09-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.14(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.232(2)
_cell_length_b                   13.487(3)
_cell_length_c                   13.952(3)
_cell_measurement_reflns_used    2079
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.4
_cell_measurement_theta_min      3.5
_cell_volume                     2101.4(8)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'BluIce (McPhillips, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_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 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'ADSC Quantum 210r'
_diffrn_measurement_method       'Phi Scan'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1124
_diffrn_reflns_av_unetI/netI     0.0646
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            27112
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.019
_diffrn_reflns_theta_min         1.510
_diffrn_source                   'MX1 Beamline Australian Synchrotron'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.491
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.609154
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'XDS(Kabsch, 1993)'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.397
_refine_diff_density_min         -3.422
_refine_diff_density_rms         0.233
_refine_ls_extinction_coef       0.0366(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         3976
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0506
_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)+(0.0891P)²+0.6199P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1249
_refine_ls_wR_factor_ref         0.1250
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3959
_reflns_number_total             3976
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03044a2.cif
_cod_data_source_block           1_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7705503--7705523.cif.'
_cod_original_cell_volume        2101.4(7)
_cod_database_code               7705509
_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   0.865
_shelx_estimated_absorpt_t_min   0.789
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H21(0.5) C20(0.5) H20A(0.5) H20B(0.5) H20C(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C14(H14), C10(H10), C11(H11), C17(H17), C15(H15), C18(H18), C4(H4),
 C16(H16), C2(H2), C22(H22), C3(H3), C21(H21), C19(H19)
3.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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
Tb1 Tb 0.750000 0.79889(2) 0.250000 0.02299(17) Uani 1 2 d S T P . .
I1 I 0.750000 1.02805(2) 0.250000 0.02692(17) Uani 1 2 d S T P . .
F3 F 0.43354(18) 0.97790(15) 0.23042(14) 0.0358(4) Uani 1 1 d . . . . .
F4 F 0.5178(2) 0.77996(17) 0.50890(17) 0.0381(5) Uani 1 1 d . . . . .
F2 F 0.6181(2) 0.54956(19) 0.11506(16) 0.0469(5) Uani 1 1 d . . . . .
F1 F 0.5985(3) 0.55884(17) 0.45062(18) 0.0456(6) Uani 1 1 d . . . . .
N2 N 0.5569(2) 0.8163(2) 0.31665(19) 0.0277(5) Uani 1 1 d . . . . .
N3 N 0.8501(3) 0.80025(19) 0.4172(2) 0.0300(6) Uani 1 1 d . . . . .
N1 N 0.6193(2) 0.66312(19) 0.2786(2) 0.0293(6) Uani 1 1 d . . . . .
C9 C 0.4568(3) 0.8561(2) 0.4614(2) 0.0305(6) Uani 1 1 d . . . . .
C7 C 0.5405(3) 0.7190(2) 0.3183(2) 0.0283(6) Uani 1 1 d . . . . .
C12 C 0.3404(3) 1.0143(2) 0.3695(3) 0.0351(7) Uani 1 1 d . . . . .
H12 H 0.301138 1.069370 0.337551 0.042 Uiso 1 1 calc R U . . .
C14 C 0.8074(4) 0.7528(3) 0.4922(3) 0.0374(8) Uani 1 1 d . . . . .
H14 H 0.739783 0.710617 0.479604 0.045 Uiso 1 1 calc R U . . .
C13 C 0.4180(3) 0.9563(3) 0.3234(2) 0.0307(6) Uani 1 1 d . . . . .
C8 C 0.4794(3) 0.8740(2) 0.3658(2) 0.0283(6) Uani 1 1 d . . . . .
C10 C 0.3792(4) 0.9113(3) 0.5099(3) 0.0366(9) Uani 1 1 d . . . . .
H10 H 0.366094 0.894951 0.574170 0.044 Uiso 1 1 calc R U . . .
C11 C 0.3208(3) 0.9908(3) 0.4634(3) 0.0388(8) Uani 1 1 d . . . . .
H11 H 0.266995 1.029613 0.495907 0.047 Uiso 1 1 calc R U . . .
C17 C 1.0045(4) 0.8688(3) 0.5311(3) 0.0513(10) Uani 1 1 d . . . . .
H17 H 1.073518 0.909418 0.542987 0.062 Uiso 1 1 calc R U . . .
C15 C 0.8586(5) 0.7637(3) 0.5863(3) 0.0491(10) Uani 1 1 d . . . . .
H15 H 0.825454 0.730342 0.637206 0.059 Uiso 1 1 calc R U . . .
C18 C 0.9508(4) 0.8557(3) 0.4378(3) 0.0408(8) Uani 1 1 d . . . . .
H18 H 0.985624 0.886607 0.386359 0.049 Uiso 1 1 calc R U . . .
C5 C 0.5970(4) 0.5060(3) 0.3669(3) 0.0390(8) Uani 1 1 d . . . . .
C1 C 0.6072(4) 0.5013(3) 0.1997(3) 0.0399(8) Uani 1 1 d . . . . .
C6 C 0.6058(3) 0.5597(3) 0.2820(3) 0.0340(7) Uani 1 1 d . . . . .
C4 C 0.5863(5) 0.4053(3) 0.3706(4) 0.0506(12) Uani 1 1 d . . . . .
H4 H 0.576762 0.373083 0.429799 0.061 Uiso 1 1 calc R U . . .
C16 C 0.9577(4) 0.8230(4) 0.6057(3) 0.0507(9) Uani 1 1 d . . . . .
H16 H 0.993046 0.832006 0.670058 0.061 Uiso 1 1 calc R U . . .
C2 C 0.5994(5) 0.3988(3) 0.1996(4) 0.0553(12) Uani 1 1 d . . . . .
H2 H 0.600701 0.362248 0.141479 0.066 Uiso 1 1 calc R U . . .
C22 C 0.2712(4) 0.7427(4) 0.2057(5) 0.0608(13) Uani 1 1 d . . . . .
H22 H 0.286177 0.803907 0.175416 0.073 Uiso 1 1 calc R U . . .
C3 C 0.5896(6) 0.3506(3) 0.2865(4) 0.0618(14) Uani 1 1 d . . . . .
H3 H 0.585226 0.280269 0.288471 0.074 Uiso 1 1 calc R U . . .
C21 C 0.2921(5) 0.6547(5) 0.1602(7) 0.090(2) Uani 1 1 d . . . . .
H21 H 0.320539 0.654913 0.098429 0.108 Uiso 0.5 1 calc R U P A 2
C19 C 0.2716(10) 0.5671(6) 0.2046(11) 0.143(7) Uani 1 1 d . . . . .
H19 H 0.286530 0.506084 0.174089 0.171 Uiso 1 1 calc R U . . .
C20 C 0.3353(12) 0.6421(12) 0.0766(10) 0.083(4) Uani 0.5 1 d . . P B 1
H20A H 0.297341 0.689430 0.029521 0.125 Uiso 0.5 1 calc R U P B 1
H20B H 0.318600 0.574355 0.053552 0.125 Uiso 0.5 1 calc R U P B 1
H20C H 0.422023 0.653213 0.084656 0.125 Uiso 0.5 1 calc R U P B 1
H7 H 0.480(4) 0.686(4) 0.345(3) 0.036(11) Uiso 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'
F F 0.0171 0.0103 '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'
Tb Tb -0.1723 4.1537 '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 Tb1 I1 84.52(7) . . ?
N2 Tb1 I1 84.52(7) 2_655 . ?
N2 Tb1 N2 169.03(15) 2_655 . ?
N2 Tb1 N3 88.45(10) . . ?
N2 Tb1 N3 88.45(10) 2_655 2_655 ?
N2 Tb1 N3 91.47(10) . 2_655 ?
N2 Tb1 N3 91.47(10) 2_655 . ?
N3 Tb1 I1 89.58(6) 2_655 . ?
N3 Tb1 I1 89.58(6) . . ?
N3 Tb1 N3 179.15(12) 2_655 . ?
N1 Tb1 I1 139.53(6) 2_655 . ?
N1 Tb1 I1 139.53(6) . . ?
N1 Tb1 N2 55.39(9) . . ?
N1 Tb1 N2 55.39(9) 2_655 2_655 ?
N1 Tb1 N2 135.51(10) 2_655 . ?
N1 Tb1 N2 135.51(10) . 2_655 ?
N1 Tb1 N3 94.18(10) 2_655 2_655 ?
N1 Tb1 N3 86.47(9) . 2_655 ?
N1 Tb1 N3 94.18(10) . . ?
N1 Tb1 N3 86.47(9) 2_655 . ?
N1 Tb1 N1 80.95(13) . 2_655 ?
C7 N2 Tb1 92.4(2) . . ?
C7 N2 C8 116.5(3) . . ?
C8 N2 Tb1 149.0(2) . . ?
C14 N3 Tb1 124.0(2) . . ?
C14 N3 C18 116.8(3) . . ?
C18 N3 Tb1 119.1(2) . . ?
C7 N1 Tb1 94.7(2) . . ?
C7 N1 C6 118.1(3) . . ?
C6 N1 Tb1 146.2(2) . . ?
F4 C9 C8 117.3(3) . . ?
F4 C9 C10 118.6(3) . . ?
C10 C9 C8 124.1(3) . . ?
N2 C7 N1 117.1(3) . . ?
N2 C7 H7 126(3) . . ?
N1 C7 H7 117(3) . . ?
C13 C12 H12 120.6 . . ?
C13 C12 C11 118.8(3) . . ?
C11 C12 H12 120.6 . . ?
N3 C14 H14 118.8 . . ?
N3 C14 C15 122.4(4) . . ?
C15 C14 H14 118.8 . . ?
F3 C13 C12 118.3(3) . . ?
F3 C13 C8 117.7(3) . . ?
C12 C13 C8 123.9(3) . . ?
N2 C8 C9 123.6(3) . . ?
N2 C8 C13 122.4(3) . . ?
C13 C8 C9 114.0(3) . . ?
C9 C10 H10 120.6 . . ?
C9 C10 C11 118.9(4) . . ?
C11 C10 H10 120.6 . . ?
C12 C11 H11 119.9 . . ?
C10 C11 C12 120.3(3) . . ?
C10 C11 H11 119.9 . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.7(4) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 C14 119.6(4) . . ?
C16 C15 H15 120.2 . . ?
N3 C18 C17 122.4(4) . . ?
N3 C18 H18 118.8 . . ?
C17 C18 H18 118.8 . . ?
F1 C5 C6 117.2(3) . . ?
C4 C5 F1 118.7(4) . . ?
C4 C5 C6 124.2(4) . . ?
F2 C1 C6 116.9(3) . . ?
F2 C1 C2 119.1(4) . . ?
C2 C1 C6 123.9(4) . . ?
C5 C6 N1 124.1(4) . . ?
C1 C6 N1 121.5(4) . . ?
C1 C6 C5 114.3(3) . . ?
C5 C4 H4 120.4 . . ?
C5 C4 C3 119.1(5) . . ?
C3 C4 H4 120.4 . . ?
C17 C16 C15 118.9(4) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C1 C2 H2 120.8 . . ?
C1 C2 C3 118.5(4) . . ?
C3 C2 H2 120.8 . . ?
C22 C22 H22 119.7 2 . ?
C22 C22 C21 120.5(5) 2 . ?
C21 C22 H22 119.7 . . ?
C4 C3 C2 120.0(4) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C22 C21 H21 120.3 . . ?
C19 C21 C22 119.4(9) . . ?
C19 C21 H21 120.3 . . ?
C20 C21 C22 127.9(11) . . ?
C20 C21 C19 112.7(10) . . ?
C21 C19 C19 120.1(6) . 2 ?
C21 C19 H19 119.9 . . ?
C19 C19 H19 119.9 2 . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20B 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
_geom_bond_publ_flag
Tb1 I1 3.0908(7) . ?
Tb1 N2 2.461(3) 2_655 ?
Tb1 N2 2.461(3) . ?
Tb1 N3 2.480(3) 2_655 ?
Tb1 N3 2.480(3) . ?
Tb1 N1 2.407(3) 2_655 ?
Tb1 N1 2.407(3) . ?
F3 C13 1.359(4) . ?
F4 C9 1.365(4) . ?
F2 C1 1.365(5) . ?
F1 C5 1.367(4) . ?
N2 C7 1.326(5) . ?
N2 C8 1.401(4) . ?
N3 C14 1.357(5) . ?
N3 C18 1.361(5) . ?
N1 C7 1.327(4) . ?
N1 C6 1.404(4) . ?
C9 C8 1.405(5) . ?
C9 C10 1.377(6) . ?
C7 H7 0.93(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(5) . ?
C12 C11 1.388(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.384(6) . ?
C13 C8 1.403(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(6) . ?
C11 H11 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.385(5) . ?
C17 C16 1.362(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.374(7) . ?
C18 H18 0.9500 . ?
C5 C6 1.401(6) . ?
C5 C4 1.364(5) . ?
C1 C6 1.394(6) . ?
C1 C2 1.386(5) . ?
C4 H4 0.9500 . ?
C4 C3 1.389(7) . ?
C16 H16 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.391(8) . ?
C22 C22 1.371(13) 2 ?
C22 H22 0.9500 . ?
C22 C21 1.379(8) . ?
C3 H3 0.9500 . ?
C21 H21 0.9500 . ?
C21 C19 1.365(14) . ?
C21 C20 1.321(16) . ?
C19 C19 1.40(3) 2 ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 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
Tb1 N2 C7 N1 -6.3(3) . . . . ?
Tb1 N2 C8 C9 -106.7(4) . . . . ?
Tb1 N2 C8 C13 72.6(5) . . . . ?
Tb1 N3 C14 C15 -173.0(3) . . . . ?
Tb1 N3 C18 C17 172.9(3) . . . . ?
Tb1 N1 C7 N2 6.5(3) . . . . ?
Tb1 N1 C6 C5 111.4(5) . . . . ?
Tb1 N1 C6 C1 -64.8(6) . . . . ?
F3 C13 C8 N2 1.6(5) . . . . ?
F3 C13 C8 C9 -179.1(3) . . . . ?
F4 C9 C8 N2 2.3(5) . . . . ?
F4 C9 C8 C13 -177.0(3) . . . . ?
F4 C9 C10 C11 177.5(3) . . . . ?
F2 C1 C6 N1 -2.2(6) . . . . ?
F2 C1 C6 C5 -178.8(3) . . . . ?
F2 C1 C2 C3 179.3(5) . . . . ?
F1 C5 C6 N1 1.8(6) . . . . ?
F1 C5 C6 C1 178.3(4) . . . . ?
F1 C5 C4 C3 -177.4(5) . . . . ?
N3 C14 C15 C16 -1.2(6) . . . . ?
C9 C10 C11 C12 0.0(5) . . . . ?
C7 N2 C8 C9 50.5(4) . . . . ?
C7 N2 C8 C13 -130.2(3) . . . . ?
C7 N1 C6 C5 -53.6(5) . . . . ?
C7 N1 C6 C1 130.2(4) . . . . ?
C12 C13 C8 N2 179.6(3) . . . . ?
C12 C13 C8 C9 -1.1(5) . . . . ?
C14 N3 C18 C17 -3.7(6) . . . . ?
C14 C15 C16 C17 -1.0(7) . . . . ?
C13 C12 C11 C10 0.7(5) . . . . ?
C8 N2 C7 N1 -174.8(3) . . . . ?
C8 C9 C10 C11 -1.4(5) . . . . ?
C10 C9 C8 N2 -178.8(3) . . . . ?
C10 C9 C8 C13 1.9(5) . . . . ?
C11 C12 C13 F3 177.8(3) . . . . ?
C11 C12 C13 C8 -0.1(5) . . . . ?
C18 N3 C14 C15 3.4(5) . . . . ?
C18 C17 C16 C15 0.8(7) . . . . ?
C5 C4 C3 C2 -2.3(10) . . . . ?
C1 C2 C3 C4 0.8(9) . . . . ?
C6 N1 C7 N2 178.2(3) . . . . ?
C6 C5 C4 C3 3.1(9) . . . . ?
C6 C1 C2 C3 0.0(8) . . . . ?
C4 C5 C6 N1 -178.6(5) . . . . ?
C4 C5 C6 C1 -2.2(7) . . . . ?
C16 C17 C18 N3 1.7(7) . . . . ?
C2 C1 C6 N1 177.2(4) . . . . ?
C2 C1 C6 C5 0.6(7) . . . . ?
C22 C22 C21 C19 -0.7(10) 2 . . . ?
C22 C22 C21 C20 -178.1(9) 2 . . . ?
C22 C21 C19 C19 0.6(18) . . . 2 ?
C20 C21 C19 C19 178.4(14) . . . 2 ?
