#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:35:20 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180146 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/43/7104347.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_7104347
loop_
_publ_author_name
'Norel, Lucie'
'Chamoreau, Lise-Marie'
'Journaux, Yves'
'Oms, Olivier'
'Chastanet, Guillaume'
'Train, Cyrille'
_publ_section_title
;
 Verdazyl-lanthanide(III) one dimensional compounds: synthesis,
 structure and magnetic properties.
;
_journal_issue                   17
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2381
_journal_page_last               2383
_journal_paper_doi               10.1039/b816910a
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C22 H12 F18 N6 O7 Tb'
_chemical_formula_sum            'C22 H12 F18 N6 O7 Tb'
_chemical_formula_weight         973.30
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 107.646(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.345(2)
_cell_length_b                   18.446(3)
_cell_length_c                   16.650(3)
_cell_measurement_reflns_used    82
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      19.1
_cell_measurement_theta_min      3.8
_cell_volume                     3320.5(10)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.0847
_diffrn_reflns_av_sigmaI/netI    0.1462
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30495
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.281
_exptl_absorpt_correction_T_max  0.913
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.947
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             1876
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.259
_refine_diff_density_min         -1.073
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         9547
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.1486
_refine_ls_R_factor_gt           0.0470
_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)+(0.0430P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.1110
_reflns_number_gt                4709
_reflns_number_total             9547
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b816910a.txt
_cod_data_source_block           ln618
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7104347
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
Tb1 Tb 0.15261(2) 0.270893(14) 0.384003(15) 0.02603(8) Uani 1 1 d . . .
O1 O 0.0352(4) 0.28914(19) 0.4814(2) 0.0361(10) Uani 1 1 d . . .
O2 O 0.0037(3) 0.1854(2) 0.3118(2) 0.0374(9) Uani 1 1 d . . .
O3 O 0.1614(4) 0.1641(2) 0.4749(2) 0.0386(10) Uani 1 1 d . . .
O4 O 0.2828(3) 0.1798(2) 0.3528(2) 0.0356(9) Uani 1 1 d . . .
O5 O 0.3436(4) 0.2743(2) 0.4952(2) 0.0362(9) Uani 1 1 d . . .
O6 O 0.2820(4) 0.3291(2) 0.3178(2) 0.0370(10) Uani 1 1 d . . .
O7 O 0.1907(4) 0.3910(2) 0.4399(2) 0.0352(9) Uani 1 1 d . . .
N1 N 0.0498(4) 0.2217(3) 0.6845(2) 0.0323(11) Uani 1 1 d . . .
N2 N 0.0781(4) 0.2578(2) 0.6199(2) 0.0315(11) Uani 1 1 d . . .
N3 N -0.1016(4) 0.2165(3) 0.5212(2) 0.0335(12) Uani 1 1 d . . .
N4 N -0.1364(4) 0.1787(3) 0.5818(2) 0.0338(11) Uani 1 1 d . . .
N5 N -0.1851(4) 0.0969(3) 0.7102(3) 0.0382(12) Uani 1 1 d . . .
H5A H -0.2355 0.0861 0.6617 0.046 Uiso 1 1 calc R . .
N6 N -0.0297(4) 0.1492(2) 0.8080(3) 0.0302(11) Uani 1 1 d . . .
C1 C 0.0049(5) 0.2553(3) 0.5372(3) 0.0292(13) Uani 1 1 d . . .
C2 C -0.0568(5) 0.1844(3) 0.6591(3) 0.0293(12) Uani 1 1 d . . .
C3 C -0.0898(5) 0.1449(3) 0.7255(3) 0.0267(12) Uani 1 1 d . . .
C4 C -0.1862(6) 0.0688(3) 0.7869(3) 0.0430(16) Uani 1 1 d . . .
H4 H -0.2413 0.0348 0.7962 0.052 Uiso 1 1 calc R . .
C5 C -0.0906(5) 0.1006(3) 0.8459(3) 0.0362(14) Uani 1 1 d . . .
H5 H -0.0688 0.0914 0.9034 0.043 Uiso 1 1 calc R . .
C6 C 0.1951(6) 0.2978(4) 0.6445(3) 0.0536(19) Uani 1 1 d . . .
H6A H 0.2091 0.3186 0.5954 0.080 Uiso 1 1 calc R . .
H6B H 0.2615 0.2653 0.6712 0.080 Uiso 1 1 calc R . .
H6C H 0.1913 0.3357 0.6832 0.080 Uiso 1 1 calc R . .
C7 C -0.1908(5) 0.2137(4) 0.4356(3) 0.0493(18) Uani 1 1 d . . .
H7A H -0.2679 0.2347 0.4364 0.074 Uiso 1 1 calc R . .
H7B H -0.2040 0.1642 0.4174 0.074 Uiso 1 1 calc R . .
H7C H -0.1585 0.2404 0.3975 0.074 Uiso 1 1 calc R . .
C8 C -0.0052(6) 0.1170(4) 0.3154(4) 0.0417(15) Uani 1 1 d . . .
C9 C 0.0560(6) 0.0712(3) 0.3802(4) 0.0488(17) Uani 1 1 d . . .
H9 H 0.0472 0.0213 0.3730 0.059 Uiso 1 1 calc R . .
C10 C 0.1321(6) 0.0995(3) 0.4574(4) 0.0409(15) Uani 1 1 d . . .
C11 C -0.0978(9) 0.0833(5) 0.2378(6) 0.079(3) Uani 1 1 d . . .
C12 C 0.1880(8) 0.0463(4) 0.5313(5) 0.066(2) Uani 1 1 d . . .
C13 C 0.3902(6) 0.1575(3) 0.3909(4) 0.0338(13) Uani 1 1 d . . .
C14 C 0.4725(6) 0.1837(3) 0.4646(4) 0.0434(15) Uani 1 1 d . . .
H14 H 0.5506 0.1628 0.4838 0.052 Uiso 1 1 calc R . .
C15 C 0.4436(6) 0.2400(3) 0.5111(3) 0.0383(14) Uani 1 1 d . . .
C16 C 0.4330(7) 0.0924(4) 0.3474(4) 0.0517(18) Uani 1 1 d . . .
C17 C 0.5458(6) 0.2658(5) 0.5909(4) 0.0556(18) Uani 1 1 d . . .
C18 C 0.3502(5) 0.3849(3) 0.3332(3) 0.0341(13) Uani 1 1 d . . .
C19 C 0.3511(6) 0.4405(3) 0.3907(3) 0.0394(15) Uani 1 1 d . . .
H19 H 0.4061 0.4790 0.3969 0.047 Uiso 1 1 calc R . .
C20 C 0.2695(5) 0.4382(3) 0.4385(3) 0.0318(13) Uani 1 1 d . . .
C21 C 0.4466(7) 0.3872(4) 0.2845(4) 0.0549(19) Uani 1 1 d . . .
C22 C 0.2726(8) 0.5004(4) 0.5002(4) 0.0529(18) Uani 1 1 d . . .
F1 F -0.0869(8) 0.1102(4) 0.1680(3) 0.164(3) Uani 1 1 d . . .
F2 F -0.2125(6) 0.0984(3) 0.2363(4) 0.142(3) Uani 1 1 d . . .
F3 F -0.0922(5) 0.0125(3) 0.2325(3) 0.1062(19) Uani 1 1 d . . .
F4 F 0.1551(5) 0.0650(3) 0.5991(3) 0.0914(16) Uani 1 1 d . . .
F5 F 0.3118(5) 0.0493(3) 0.5537(3) 0.0985(16) Uani 1 1 d . . .
F6 F 0.1548(5) -0.0223(2) 0.5132(3) 0.111(2) Uani 1 1 d . . .
F7 F 0.3890(5) 0.0939(3) 0.2650(3) 0.0998(18) Uani 1 1 d . . .
F8 F 0.3881(5) 0.0304(2) 0.3692(3) 0.1023(17) Uani 1 1 d . . .
F9 F 0.5531(4) 0.0838(3) 0.3686(3) 0.0956(17) Uani 1 1 d . . .
F10 F 0.6036(4) 0.2103(3) 0.6379(3) 0.0897(15) Uani 1 1 d . . .
F11 F 0.5054(5) 0.3056(4) 0.6394(3) 0.147(3) Uani 1 1 d . . .
F12 F 0.6373(5) 0.2975(3) 0.5703(3) 0.1016(17) Uani 1 1 d . . .
F13 F 0.4815(5) 0.4539(3) 0.2724(3) 0.1007(17) Uani 1 1 d . . .
F14 F 0.5479(4) 0.3509(3) 0.3255(3) 0.1030(17) Uani 1 1 d . . .
F15 F 0.4029(4) 0.3574(3) 0.2082(2) 0.0861(15) Uani 1 1 d . . .
F16 F 0.3403(5) 0.5571(2) 0.4923(3) 0.0825(14) Uani 1 1 d . . .
F17 F 0.3218(5) 0.4775(2) 0.5798(2) 0.0938(17) Uani 1 1 d . . .
F18 F 0.1607(4) 0.5262(2) 0.4943(3) 0.0812(14) Uani 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'
Tb Tb -0.1723 4.1537 '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'
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'
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
O6 Tb1 O2 121.38(13) . . ?
O6 Tb1 O5 78.57(13) . . ?
O2 Tb1 O5 139.06(13) . . ?
O6 Tb1 O7 72.17(13) . . ?
O2 Tb1 O7 146.67(14) . . ?
O5 Tb1 O7 70.06(13) . . ?
O6 Tb1 O4 72.79(13) . . ?
O2 Tb1 O4 79.29(13) . . ?
O5 Tb1 O4 73.27(12) . . ?
O7 Tb1 O4 133.11(13) . . ?
O6 Tb1 O1 143.43(13) . . ?
O2 Tb1 O1 88.83(13) . . ?
O5 Tb1 O1 91.80(13) . . ?
O7 Tb1 O1 71.38(13) . . ?
O4 Tb1 O1 138.20(12) . . ?
O6 Tb1 O3 137.64(13) . . ?
O2 Tb1 O3 70.59(12) . . ?
O5 Tb1 O3 71.78(13) . . ?
O7 Tb1 O3 122.15(12) . . ?
O4 Tb1 O3 70.15(13) . . ?
O1 Tb1 O3 68.11(13) . . ?
O6 Tb1 N6 91.79(14) . 4_565 ?
O2 Tb1 N6 77.59(14) . 4_565 ?
O5 Tb1 N6 141.35(13) . 4_565 ?
O7 Tb1 N6 71.36(13) . 4_565 ?
O4 Tb1 N6 139.52(12) . 4_565 ?
O1 Tb1 N6 73.88(13) . 4_565 ?
O3 Tb1 N6 130.05(14) . 4_565 ?
C1 O1 Tb1 139.6(3) . . ?
C8 O2 Tb1 134.1(4) . . ?
C10 O3 Tb1 131.3(4) . . ?
C13 O4 Tb1 133.3(3) . . ?
C15 O5 Tb1 134.5(3) . . ?
C18 O6 Tb1 135.0(3) . . ?
C20 O7 Tb1 133.0(4) . . ?
C2 N1 N2 113.7(4) . . ?
C1 N2 N1 123.4(4) . . ?
C1 N2 C6 121.2(4) . . ?
N1 N2 C6 115.4(4) . . ?
C1 N3 N4 123.9(4) . . ?
C1 N3 C7 121.0(4) . . ?
N4 N3 C7 115.1(4) . . ?
C2 N4 N3 114.0(4) . . ?
C3 N5 C4 107.5(4) . . ?
C3 N5 H5A 126.2 . . ?
C4 N5 H5A 126.2 . . ?
C3 N6 C5 105.0(4) . . ?
C3 N6 Tb1 129.0(3) . 4_566 ?
C5 N6 Tb1 126.0(3) . 4_566 ?
O1 C1 N3 123.0(5) . . ?
O1 C1 N2 120.6(5) . . ?
N3 C1 N2 116.4(4) . . ?
N4 C2 N1 128.6(5) . . ?
N4 C2 C3 115.9(5) . . ?
N1 C2 C3 115.5(4) . . ?
N6 C3 N5 111.1(4) . . ?
N6 C3 C2 125.3(5) . . ?
N5 C3 C2 123.6(4) . . ?
C5 C4 N5 106.0(5) . . ?
C5 C4 H4 127.0 . . ?
N5 C4 H4 127.0 . . ?
C4 C5 N6 110.4(5) . . ?
C4 C5 H5 124.8 . . ?
N6 C5 H5 124.8 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N3 C7 H7A 109.5 . . ?
N3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 128.1(6) . . ?
O2 C8 C11 114.2(6) . . ?
C9 C8 C11 117.7(6) . . ?
C8 C9 C10 120.6(6) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
O3 C10 C9 127.7(6) . . ?
O3 C10 C12 113.7(5) . . ?
C9 C10 C12 118.6(6) . . ?
F1 C11 F3 107.5(8) . . ?
F1 C11 F2 105.1(9) . . ?
F3 C11 F2 106.0(8) . . ?
F1 C11 C8 111.8(7) . . ?
F3 C11 C8 115.3(8) . . ?
F2 C11 C8 110.4(7) . . ?
F6 C12 F4 107.7(7) . . ?
F6 C12 F5 107.7(7) . . ?
F4 C12 F5 107.0(7) . . ?
F6 C12 C10 113.7(6) . . ?
F4 C12 C10 110.8(6) . . ?
F5 C12 C10 109.7(6) . . ?
O4 C13 C14 128.5(5) . . ?
O4 C13 C16 114.1(5) . . ?
C14 C13 C16 117.4(5) . . ?
C13 C14 C15 122.9(5) . . ?
C13 C14 H14 118.5 . . ?
C15 C14 H14 118.5 . . ?
O5 C15 C14 127.5(5) . . ?
O5 C15 C17 114.8(5) . . ?
C14 C15 C17 117.7(6) . . ?
F9 C16 F7 108.7(6) . . ?
F9 C16 F8 105.9(6) . . ?
F7 C16 F8 104.2(6) . . ?
F9 C16 C13 114.4(6) . . ?
F7 C16 C13 113.5(5) . . ?
F8 C16 C13 109.4(6) . . ?
F11 C17 F12 111.7(8) . . ?
F11 C17 F10 106.1(7) . . ?
F12 C17 F10 102.0(6) . . ?
F11 C17 C15 113.6(6) . . ?
F12 C17 C15 110.8(6) . . ?
F10 C17 C15 112.0(6) . . ?
O6 C18 C19 127.7(5) . . ?
O6 C18 C21 113.7(5) . . ?
C19 C18 C21 118.5(6) . . ?
C20 C19 C18 119.9(5) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
O7 C20 C19 129.4(5) . . ?
O7 C20 C22 112.3(5) . . ?
C19 C20 C22 118.4(5) . . ?
F14 C21 F13 107.1(6) . . ?
F14 C21 F15 107.3(6) . . ?
F13 C21 F15 106.2(6) . . ?
F14 C21 C18 110.9(5) . . ?
F13 C21 C18 113.3(6) . . ?
F15 C21 C18 111.7(6) . . ?
F16 C22 F18 106.2(6) . . ?
F16 C22 F17 105.5(6) . . ?
F18 C22 F17 106.8(6) . . ?
F16 C22 C20 114.8(6) . . ?
F18 C22 C20 112.9(6) . . ?
F17 C22 C20 110.1(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
Tb1 O6 2.346(4) . ?
Tb1 O2 2.357(4) . ?
Tb1 O5 2.386(4) . ?
Tb1 O7 2.392(4) . ?
Tb1 O4 2.395(4) . ?
Tb1 O1 2.414(4) . ?
Tb1 O3 2.468(4) . ?
Tb1 N6 2.543(4) 4_565 ?
O1 C1 1.251(6) . ?
O2 C8 1.267(7) . ?
O3 C10 1.247(6) . ?
O4 C13 1.260(6) . ?
O5 C15 1.255(7) . ?
O6 C18 1.266(6) . ?
O7 C20 1.252(6) . ?
N1 C2 1.344(6) . ?
N1 N2 1.382(5) . ?
N2 C1 1.376(6) . ?
N2 C6 1.464(7) . ?
N3 C1 1.361(7) . ?
N3 N4 1.377(6) . ?
N3 C7 1.478(6) . ?
N4 C2 1.334(6) . ?
N5 C3 1.360(6) . ?
N5 C4 1.382(7) . ?
N5 H5A 0.8600 . ?
N6 C3 1.338(6) . ?
N6 C5 1.393(6) . ?
N6 Tb1 2.543(4) 4_566 ?
C2 C3 1.464(7) . ?
C4 C5 1.357(8) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.381(8) . ?
C8 C11 1.529(9) . ?
C9 C10 1.412(8) . ?
C9 H9 0.9300 . ?
C10 C12 1.552(9) . ?
C11 F1 1.304(10) . ?
C11 F3 1.312(9) . ?
C11 F2 1.324(10) . ?
C12 F6 1.329(8) . ?
C12 F4 1.337(9) . ?
C12 F5 1.340(9) . ?
C13 C14 1.384(8) . ?
C13 C16 1.555(8) . ?
C14 C15 1.393(8) . ?
C14 H14 0.9300 . ?
C15 C17 1.550(8) . ?
C16 F9 1.309(7) . ?
C16 F7 1.310(7) . ?
C16 F8 1.346(8) . ?
C17 F11 1.275(8) . ?
C17 F12 1.324(8) . ?
C17 F10 1.334(8) . ?
C18 C19 1.401(8) . ?
C18 C21 1.547(8) . ?
C19 C20 1.392(8) . ?
C19 H19 0.9300 . ?
C20 C22 1.535(8) . ?
C21 F14 1.327(8) . ?
C21 F13 1.327(8) . ?
C21 F15 1.334(7) . ?
C22 F16 1.326(7) . ?
C22 F18 1.332(8) . ?
C22 F17 1.341(7) . ?
