#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:58:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179736 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/32/7003201.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_7003201
loop_
_publ_author_name
'Raabe, Ines'
'Himmel, Daniel'
'Müller, Sonja'
'Trapp, Nils'
'Kaupp, Martin'
'Krossing, Ingo'
_publ_section_title
;
 Stable CI3+ salts and attempts to prepare CHI2+ and CH2I+
;
_journal_issue                   7
_journal_name_full               'Dalton Transactions'
_journal_page_first              946
_journal_page_last               956
_journal_paper_doi               10.1039/b714271d
_journal_year                    2008
_chemical_formula_moiety         'Ag1 C19 H6 I6 Al1 O4 F36'
_chemical_formula_sum            'C19 H6 Ag Al F36 I6 O4'
_chemical_formula_weight         1878.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.13(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.397(2)
_cell_length_b                   14.727(3)
_cell_length_c                   28.946(6)
_cell_measurement_reflns_used    24282
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      23.96
_cell_measurement_theta_min      6.81
_cell_volume                     4397.8(16)
_computing_cell_refinement       'CELL (STOE, 2003)'
_computing_data_collection       'XPOSE (STOE, 2003)'
_computing_data_reduction        'XRED (STOE, 2003)'
_computing_molecular_graphics    'Diamond 3.1 (Crystal Impact, 2006)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       φ-scans
_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  0.1675
_diffrn_reflns_av_sigmaI/netI    0.1022
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            24282
_diffrn_reflns_theta_full        23.96
_diffrn_reflns_theta_max         23.96
_diffrn_reflns_theta_min         6.81
_exptl_absorpt_coefficient_mu    4.873
_exptl_absorpt_correction_T_max  0.7779
_exptl_absorpt_correction_T_min  0.1589
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Shape (STOE)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3416
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.617
_refine_diff_density_min         -2.174
_refine_diff_density_rms         0.249
_refine_ls_extinction_coef       0.0007(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         6459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0720
_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)+(0.1344P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1883
_refine_ls_wR_factor_ref         0.1980
_reflns_number_gt                5384
_reflns_number_total             6459
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b714271d.txt
_cod_data_source_block           sonja2
_cod_original_cell_volume        4397.8(15)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7003201
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.12155(7) 0.58800(5) 0.45928(3) 0.0584(3) Uani 1 1 d . . .
I3 I 0.12286(7) 0.59242(5) 0.30055(3) 0.0587(3) Uani 1 1 d . . .
I2 I -0.14269(7) 0.71533(4) 0.40452(3) 0.0558(3) Uani 1 1 d . . .
I6 I 0.17534(8) 0.90977(6) 0.44089(3) 0.0691(3) Uani 1 1 d . . .
I5 I 0.08485(9) 0.88991(5) 0.32063(2) 0.0653(3) Uani 1 1 d . . .
I4 I 0.40326(7) 0.67072(5) 0.37130(2) 0.0573(3) Uani 1 1 d . . .
Ag1 Ag 0.13284(13) 0.73068(7) 0.38184(5) 0.0969(5) Uani 1 1 d . . .
Al1 Al 1.4677(2) 0.72145(14) 0.13367(7) 0.0298(5) Uani 1 1 d . . .
F25 F 1.4559(6) 0.8927(4) 0.0079(2) 0.0591(15) Uani 1 1 d . . .
O2 O 1.5900(6) 0.7031(5) 0.1776(2) 0.0498(15) Uani 1 1 d . . .
F21 F 1.7656(7) 0.7144(4) 0.0181(2) 0.0701(18) Uani 1 1 d . . .
F24 F 1.5258(8) 0.6233(4) 0.0226(2) 0.0690(18) Uani 1 1 d . . .
F23 F 1.3726(7) 0.7197(5) 0.0122(2) 0.0710(18) Uani 1 1 d . . .
O1 O 1.4084(8) 0.6186(4) 0.1139(3) 0.0568(18) Uani 1 1 d . . .
F22 F 1.5260(8) 0.7238(4) -0.03146(19) 0.0701(18) Uani 1 1 d . . .
F26 F 1.6070(7) 0.9324(4) 0.0590(2) 0.0611(16) Uani 1 1 d . . .
F12 F 1.8688(9) 0.7141(8) 0.1860(3) 0.108(3) Uani 1 1 d . . .
O3 O 1.5209(6) 0.7774(4) 0.08725(19) 0.0375(13) Uani 1 1 d . . .
O4 O 1.3481(7) 0.7847(4) 0.1536(2) 0.0495(15) Uani 1 1 d . . .
F3 F 1.3161(8) 0.4835(4) 0.0454(2) 0.079(2) Uani 1 1 d . . .
C01 C -0.0799(11) 0.6165(7) 0.4551(4) 0.056(2) Uani 1 1 d . . .
H01A H -0.1281 0.5609 0.4478 0.067 Uiso 1 1 calc R . .
H01B H -0.0992 0.6375 0.4853 0.067 Uiso 1 1 calc R . .
F2 F 1.1729(7) 0.4477(4) 0.0893(3) 0.083(2) Uani 1 1 d . . .
F11 F 1.7459(11) 0.8440(6) 0.1725(3) 0.111(3) Uani 1 1 d . . .
C1 C 1.3537(9) 0.5371(5) 0.1234(3) 0.0404(19) Uani 1 1 d . . .
F6 F 1.5173(8) 0.4652(6) 0.1737(3) 0.087(2) Uani 1 1 d . . .
F1 F 1.1826(8) 0.5843(4) 0.0644(3) 0.076(2) Uani 1 1 d . . .
F20 F 1.7257(7) 0.6711(4) 0.0865(2) 0.0710(19) Uani 1 1 d . . .
F27 F 1.6519(6) 0.8801(4) -0.0061(2) 0.0641(16) Uani 1 1 d . . .
F19 F 1.7956(6) 0.8062(5) 0.0775(3) 0.0753(19) Uani 1 1 d . . .
F5 F 1.4050(8) 0.3798(4) 0.1244(3) 0.0730(19) Uani 1 1 d . . .
C5 C 1.6680(9) 0.7257(6) 0.2157(3) 0.042(2) Uani 1 1 d . . .
C12 C 1.5722(10) 0.8709(6) 0.0274(4) 0.048(2) Uani 1 1 d . . .
C3 C 1.4553(11) 0.4604(7) 0.1313(5) 0.064(3) Uani 1 1 d . . .
F10 F 1.8433(11) 0.8221(9) 0.2412(4) 0.141(5) Uani 1 1 d . . .
C11 C 1.4994(11) 0.7084(7) 0.0127(3) 0.052(2) Uani 1 1 d . . .
F4 F 1.5429(8) 0.4705(5) 0.1011(3) 0.087(2) Uani 1 1 d . . .
C6 C 1.785(2) 0.7749(17) 0.2040(5) 0.121(8) Uani 1 1 d . . .
C9 C 1.5772(9) 0.7740(5) 0.0478(3) 0.0380(18) Uani 1 1 d . . .
C10 C 1.7181(10) 0.7403(7) 0.0577(3) 0.050(2) Uani 1 1 d . . .
C2 C 1.2569(13) 0.5137(7) 0.0805(4) 0.068(3) Uani 1 1 d . . .
F36 F 1.3239(7) 0.9420(4) 0.0881(2) 0.0639(16) Uani 1 1 d . . .
F9 F 1.1684(7) 0.5891(4) 0.1563(3) 0.0659(17) Uani 1 1 d . . .
F30 F 1.1806(7) 0.7813(4) 0.2140(2) 0.0708(18) Uani 1 1 d . . .
F33 F 1.0694(7) 0.8925(4) 0.0947(3) 0.0739(19) Uani 1 1 d . . .
F32 F 1.1933(7) 0.7856(4) 0.0730(2) 0.0655(16) Uani 1 1 d . . .
F8 F 1.3471(7) 0.5893(4) 0.2000(2) 0.0660(16) Uani 1 1 d . . .
F31 F 1.0695(7) 0.7586(4) 0.1266(3) 0.0754(19) Uani 1 1 d . . .
F29 F 1.2890(9) 0.9071(5) 0.2244(3) 0.082(2) Uani 1 1 d . . .
F7 F 1.2512(7) 0.4628(4) 0.1822(3) 0.0736(19) Uani 1 1 d . . .
F15 F 1.6594(9) 0.7780(5) 0.2939(2) 0.087(2) Uani 1 1 d . . .
F35 F 1.4307(8) 0.9520(5) 0.1560(3) 0.085(2) Uani 1 1 d . . .
F34 F 1.2416(8) 1.0116(4) 0.1431(3) 0.082(2) Uani 1 1 d . . .
F14 F 1.4774(8) 0.7498(5) 0.2524(2) 0.0722(18) Uani 1 1 d . . .
F18 F 1.7450(8) 0.5745(5) 0.2116(3) 0.086(2) Uani 1 1 d . . .
F28 F 1.0892(8) 0.9074(5) 0.1908(3) 0.087(2) Uani 1 1 d . . .
F13 F 1.5867(11) 0.8684(5) 0.2351(3) 0.109(3) Uani 1 1 d . . .
F17 F 1.6088(9) 0.5995(5) 0.2615(3) 0.085(2) Uani 1 1 d . . .
C16 C 1.3147(11) 0.9396(7) 0.1331(4) 0.060(3) Uani 1 1 d . . .
C4 C 1.2791(11) 0.5442(6) 0.1659(4) 0.053(2) Uani 1 1 d . . .
F16 F 1.8107(9) 0.6427(7) 0.2738(3) 0.108(3) Uani 1 1 d . . .
C15 C 1.1449(11) 0.8208(7) 0.1099(4) 0.059(3) Uani 1 1 d . . .
C13 C 1.2578(9) 0.8498(6) 0.1474(3) 0.043(2) Uani 1 1 d . . .
C8 C 1.7118(14) 0.6326(9) 0.2414(5) 0.075(3) Uani 1 1 d . . .
C14 C 1.2018(13) 0.8591(9) 0.1957(4) 0.067(3) Uani 1 1 d . . .
C03 C 0.1311(11) 0.9785(8) 0.3768(4) 0.059(3) Uani 1 1 d . . .
H03A H 0.0586 1.0191 0.3788 0.070 Uiso 1 1 calc R . .
H03B H 0.2050 1.0153 0.3710 0.070 Uiso 1 1 calc R . .
C7 C 1.5900(17) 0.7817(8) 0.2510(4) 0.076(4) Uani 1 1 d . . .
C02 C 0.3263(13) 0.5829(12) 0.3166(6) 0.097(5) Uani 1 1 d . . .
H02A H 0.3663 0.5971 0.2890 0.117 Uiso 1 1 calc R . .
H02B H 0.3489 0.5208 0.3254 0.117 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'
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
C01 I1 Ag1 87.2(3) . . ?
C02 I3 Ag1 86.5(4) . . ?
C01 I2 Ag1 89.0(3) . . ?
C03 I6 Ag1 85.6(3) . . ?
C03 I5 Ag1 91.4(3) . . ?
C02 I4 Ag1 89.1(4) . . ?
I5 Ag1 I4 105.33(4) . . ?
I5 Ag1 I2 95.50(4) . . ?
I4 Ag1 I2 157.68(4) . . ?
I5 Ag1 I1 163.91(4) . . ?
I4 Ag1 I1 89.66(4) . . ?
I2 Ag1 I1 70.67(3) . . ?
I5 Ag1 I3 94.54(5) . . ?
I4 Ag1 I3 70.92(4) . . ?
I2 Ag1 I3 99.91(5) . . ?
I1 Ag1 I3 95.93(4) . . ?
I5 Ag1 I6 70.18(3) . . ?
I4 Ag1 I6 103.42(5) . . ?
I2 Ag1 I6 91.01(4) . . ?
I1 Ag1 I6 101.05(5) . . ?
I3 Ag1 I6 162.12(4) . . ?
O2 Al1 O1 108.3(4) . . ?
O2 Al1 O4 109.9(3) . . ?
O1 Al1 O4 110.4(4) . . ?
O2 Al1 O3 112.1(3) . . ?
O1 Al1 O3 107.5(3) . . ?
O4 Al1 O3 108.6(3) . . ?
C5 O2 Al1 154.4(6) . . ?
C1 O1 Al1 148.4(6) . . ?
C9 O3 Al1 149.0(5) . . ?
C13 O4 Al1 150.7(6) . . ?
I2 C01 I1 113.2(5) . . ?
O1 C1 C4 111.4(7) . . ?
O1 C1 C2 106.2(8) . . ?
C4 C1 C2 108.5(9) . . ?
O1 C1 C3 112.2(8) . . ?
C4 C1 C3 109.6(8) . . ?
C2 C1 C3 108.8(8) . . ?
O2 C5 C6 111.4(9) . . ?
O2 C5 C8 106.3(8) . . ?
C6 C5 C8 109.3(13) . . ?
O2 C5 C7 110.6(9) . . ?
C6 C5 C7 112.6(13) . . ?
C8 C5 C7 106.3(8) . . ?
F26 C12 F25 107.0(8) . . ?
F26 C12 F27 106.9(7) . . ?
F25 C12 F27 106.2(8) . . ?
F26 C12 C9 112.4(8) . . ?
F25 C12 C9 112.2(7) . . ?
F27 C12 C9 111.8(8) . . ?
F5 C3 F6 109.5(10) . . ?
F5 C3 F4 107.0(9) . . ?
F6 C3 F4 107.8(10) . . ?
F5 C3 C1 113.0(9) . . ?
F6 C3 C1 110.2(9) . . ?
F4 C3 C1 109.2(9) . . ?
F24 C11 F23 107.7(8) . . ?
F24 C11 F22 107.7(8) . . ?
F23 C11 F22 106.7(9) . . ?
F24 C11 C9 112.0(8) . . ?
F23 C11 C9 111.4(8) . . ?
F22 C11 C9 111.1(8) . . ?
F10 C6 F11 102.1(17) . . ?
F10 C6 F12 112.6(18) . . ?
F11 C6 F12 111.7(13) . . ?
F10 C6 C5 111.4(14) . . ?
F11 C6 C5 109.0(16) . . ?
F12 C6 C5 109.7(16) . . ?
O3 C9 C10 110.9(7) . . ?
O3 C9 C12 106.9(7) . . ?
C10 C9 C12 110.9(7) . . ?
O3 C9 C11 109.4(7) . . ?
C10 C9 C11 109.2(8) . . ?
C12 C9 C11 109.6(7) . . ?
F20 C10 F19 107.8(8) . . ?
F20 C10 F21 108.5(8) . . ?
F19 C10 F21 107.4(9) . . ?
F20 C10 C9 110.5(8) . . ?
F19 C10 C9 110.7(8) . . ?
F21 C10 C9 111.7(8) . . ?
F3 C2 F1 107.2(10) . . ?
F3 C2 F2 106.0(9) . . ?
F1 C2 F2 105.4(10) . . ?
F3 C2 C1 112.0(10) . . ?
F1 C2 C1 113.4(8) . . ?
F2 C2 C1 112.3(10) . . ?
F35 C16 F36 108.7(10) . . ?
F35 C16 F34 106.6(9) . . ?
F36 C16 F34 107.6(9) . . ?
F35 C16 C13 110.3(9) . . ?
F36 C16 C13 111.6(8) . . ?
F34 C16 C13 111.9(10) . . ?
F8 C4 F9 106.1(9) . . ?
F8 C4 F7 108.0(9) . . ?
F9 C4 F7 107.6(8) . . ?
F8 C4 C1 110.8(8) . . ?
F9 C4 C1 112.1(9) . . ?
F7 C4 C1 112.0(8) . . ?
F31 C15 F32 108.6(9) . . ?
F31 C15 F33 108.1(9) . . ?
F32 C15 F33 107.5(9) . . ?
F31 C15 C13 111.3(9) . . ?
F32 C15 C13 109.6(9) . . ?
F33 C15 C13 111.7(9) . . ?
O4 C13 C16 111.6(8) . . ?
O4 C13 C15 110.7(8) . . ?
C16 C13 C15 109.5(8) . . ?
O4 C13 C14 105.8(8) . . ?
C16 C13 C14 111.2(8) . . ?
C15 C13 C14 108.0(9) . . ?
F18 C8 F16 107.6(12) . . ?
F18 C8 F17 109.6(11) . . ?
F16 C8 F17 108.8(12) . . ?
F18 C8 C5 110.0(11) . . ?
F16 C8 C5 112.8(10) . . ?
F17 C8 C5 108.1(10) . . ?
F30 C14 F29 110.3(10) . . ?
F30 C14 F28 108.5(10) . . ?
F29 C14 F28 107.0(10) . . ?
F30 C14 C13 112.6(9) . . ?
F29 C14 C13 107.2(9) . . ?
F28 C14 C13 111.0(9) . . ?
I5 C03 I6 112.8(5) . . ?
F14 C7 F13 112.1(13) . . ?
F14 C7 F15 110.1(11) . . ?
F13 C7 F15 109.7(10) . . ?
F14 C7 C5 111.7(10) . . ?
F13 C7 C5 105.1(10) . . ?
F15 C7 C5 107.9(11) . . ?
I3 C02 I4 113.4(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
I1 C01 2.125(11) . ?
I1 Ag1 3.0853(13) . ?
I3 C02 2.114(14) . ?
I3 Ag1 3.1037(16) . ?
I2 C01 2.110(11) . ?
I2 Ag1 3.0257(15) . ?
I6 C03 2.115(11) . ?
I6 Ag1 3.1442(16) . ?
I5 C03 2.093(11) . ?
I5 Ag1 2.9441(13) . ?
I4 C02 2.122(13) . ?
I4 Ag1 2.9984(14) . ?
Al1 O2 1.705(6) . ?
Al1 O1 1.707(6) . ?
Al1 O4 1.709(6) . ?
Al1 O3 1.725(6) . ?
F25 C12 1.310(12) . ?
O2 C5 1.327(11) . ?
F21 C10 1.358(12) . ?
F24 C11 1.308(12) . ?
F23 C11 1.327(13) . ?
O1 C1 1.371(10) . ?
F22 C11 1.360(11) . ?
F26 C12 1.306(12) . ?
F12 C6 1.40(3) . ?
O3 C9 1.348(10) . ?
O4 C13 1.339(11) . ?
F3 C2 1.328(14) . ?
F2 C2 1.353(15) . ?
F11 C6 1.39(2) . ?
C1 C4 1.537(13) . ?
C1 C2 1.539(15) . ?
C1 C3 1.544(14) . ?
F6 C3 1.314(15) . ?
F1 C2 1.343(13) . ?
F20 C10 1.312(11) . ?
F27 C12 1.360(11) . ?
F19 C10 1.343(13) . ?
F5 C3 1.301(13) . ?
C5 C6 1.49(2) . ?
C5 C8 1.600(16) . ?
C5 C7 1.609(17) . ?
C12 C9 1.542(12) . ?
C3 F4 1.347(13) . ?
F10 C6 1.360(19) . ?
C11 C9 1.554(13) . ?
C9 C10 1.539(14) . ?
F36 C16 1.318(14) . ?
F9 C4 1.327(13) . ?
F30 C14 1.292(14) . ?
F33 C15 1.357(12) . ?
F32 C15 1.340(14) . ?
F8 C4 1.318(13) . ?
F31 C15 1.334(13) . ?
F29 C14 1.352(16) . ?
F7 C4 1.332(11) . ?
F15 C7 1.359(14) . ?
F35 C16 1.315(13) . ?
F34 C16 1.357(13) . ?
F14 C7 1.267(17) . ?
F18 C8 1.292(15) . ?
F28 C14 1.363(14) . ?
F13 C7 1.355(15) . ?
F17 C8 1.370(16) . ?
C16 C13 1.526(15) . ?
F16 C8 1.310(17) . ?
C15 C13 1.556(15) . ?
C13 C14 1.586(13) . ?
