#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:05:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179775 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/71/7007194.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_7007194
loop_
_publ_author_name
'Carbonera, Chiara'
'Sánchez Costa, José'
'Money, Victoria A.'
'Elhaïk, Jérôme'
'Howard, Judith A. K.'
'Halcrow, Malcolm A.'
'Létard, Jean-François'
_publ_section_title
;
 Photomagnetic properties of iron(II) spin crossover complexes of
 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3058
_journal_page_last               3066
_journal_paper_doi               10.1039/b601366j
_journal_year                    2006
_chemical_formula_moiety         'C26 H26 Fe N10, 2[B F4], 0.2[H2 O]'
_chemical_formula_sum            'C26 H26.4 B2 F8 Fe N10 O0.2'
_chemical_formula_weight         711.64
_chemical_name_common
;
Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine)iron(ii)
ditetrafluoroborate (compound 7)
;
_chemical_name_systematic
;
Bis[2,6-bis(4-methylpyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate
(compound 7)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 115.7118(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.5415(9)
_cell_length_b                   16.5009(6)
_cell_length_c                   13.4070(5)
_cell_measurement_reflns_used    24742
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.74
_cell_measurement_theta_min      2.45
_cell_volume                     6087.6(4)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEX (McArdle, 1995)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'ω and 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  0.0879
_diffrn_reflns_av_sigmaI/netI    0.0952
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24742
_diffrn_reflns_theta_full        26.74
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    0.583
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Using multiple and symmetry-related data measurements via the program SORTAV
See R.H. Blessing, Acta Cryst (1995), A51, 33-38
;
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.939
_refine_diff_density_rms         0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         6439
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1262
_refine_ls_R_factor_gt           0.0541
_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)+(0.0723P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                3637
_reflns_number_total             6439
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b601366j.txt
_cod_data_source_block           c:\datasets\leeds\je40a1~1\je40a1~1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7007194
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Fe1 Fe 0.123531(15) 0.24215(3) 0.12006(4) 0.03171(17) Uani 1 1 d . . .
N2 N 0.12346(8) 0.35604(18) 0.1361(2) 0.0338(7) Uani 1 1 d . . .
C3 C 0.10626(11) 0.4041(2) 0.0471(3) 0.0390(8) Uani 1 1 d . . .
C4 C 0.10467(13) 0.4875(2) 0.0546(3) 0.0471(9) Uani 1 1 d . . .
H4 H 0.0917 0.5209 -0.0094 0.057 Uiso 1 1 calc R . .
C5 C 0.12304(13) 0.5198(2) 0.1604(3) 0.0504(10) Uani 1 1 d . . .
H5 H 0.1233 0.5770 0.1690 0.061 Uiso 1 1 calc R . .
C6 C 0.14113(12) 0.4713(2) 0.2543(3) 0.0454(9) Uani 1 1 d . . .
H6 H 0.1536 0.4939 0.3265 0.054 Uiso 1 1 calc R . .
C7 C 0.14017(11) 0.3888(2) 0.2377(3) 0.0377(8) Uani 1 1 d . . .
N8 N 0.09079(9) 0.35751(18) -0.0499(2) 0.0382(7) Uani 1 1 d . . .
N9 N 0.09513(9) 0.27439(17) -0.0364(2) 0.0345(7) Uani 1 1 d . . .
C10 C 0.07840(11) 0.2454(2) -0.1382(3) 0.0378(8) Uani 1 1 d . . .
H10 H 0.0766 0.1893 -0.1556 0.045 Uiso 1 1 calc R . .
C11 C 0.06349(11) 0.3082(2) -0.2180(3) 0.0402(9) Uani 1 1 d . . .
C12 C 0.07163(12) 0.3780(2) -0.1591(3) 0.0434(9) Uani 1 1 d . . .
H12 H 0.0652 0.4313 -0.1887 0.052 Uiso 1 1 calc R . .
C13 C 0.04240(13) 0.2983(3) -0.3415(3) 0.0523(10) Uani 1 1 d . . .
H13A H 0.0259 0.3484 -0.3774 0.078 Uiso 1 1 calc R . .
H13B H 0.0190 0.2535 -0.3644 0.078 Uiso 1 1 calc R . .
H13C H 0.0685 0.2865 -0.3631 0.078 Uiso 1 1 calc R . .
N14 N 0.15579(9) 0.32841(18) 0.3186(2) 0.0366(7) Uani 1 1 d . . .
N15 N 0.15279(9) 0.24952(16) 0.2826(2) 0.0337(6) Uani 1 1 d . . .
C16 C 0.17148(11) 0.2047(2) 0.3738(3) 0.0383(8) Uani 1 1 d . . .
H16 H 0.1743 0.1473 0.3742 0.046 Uiso 1 1 calc R . .
C17 C 0.18666(11) 0.2526(2) 0.4697(3) 0.0404(9) Uani 1 1 d . . .
C18 C 0.17596(11) 0.3305(2) 0.4319(3) 0.0412(9) Uani 1 1 d . . .
H18 H 0.1815 0.3777 0.4764 0.049 Uiso 1 1 calc R . .
C19 C 0.20944(13) 0.2249(3) 0.5877(3) 0.0518(10) Uani 1 1 d . . .
H19A H 0.2274 0.2699 0.6358 0.078 Uiso 1 1 calc R . .
H19B H 0.2319 0.1801 0.5961 0.078 Uiso 1 1 calc R . .
H19C H 0.1840 0.2065 0.6085 0.078 Uiso 1 1 calc R . .
N20 N 0.12359(9) 0.12809(17) 0.1091(2) 0.0337(6) Uani 1 1 d . . .
C21 C 0.08648(12) 0.0846(2) 0.1091(3) 0.0394(8) Uani 1 1 d . . .
C22 C 0.08633(13) 0.0010(2) 0.1110(3) 0.0497(10) Uani 1 1 d . . .
H22 H 0.0599 -0.0288 0.1121 0.060 Uiso 1 1 calc R . .
C23 C 0.12679(13) -0.0370(2) 0.1110(3) 0.0531(10) Uani 1 1 d . . .
H23 H 0.1280 -0.0946 0.1118 0.064 Uiso 1 1 calc R . .
C24 C 0.16531(14) 0.0061(2) 0.1100(3) 0.0502(10) Uani 1 1 d . . .
H24 H 0.1927 -0.0206 0.1091 0.060 Uiso 1 1 calc R . .
C25 C 0.16241(12) 0.0892(2) 0.1105(3) 0.0384(8) Uani 1 1 d . . .
N26 N 0.05026(9) 0.13595(18) 0.1096(2) 0.0389(7) Uani 1 1 d . . .
N27 N 0.05894(9) 0.21797(18) 0.1126(2) 0.0351(7) Uani 1 1 d . . .
C28 C 0.01903(11) 0.2526(2) 0.1095(3) 0.0370(8) Uani 1 1 d . . .
H28 H 0.0146 0.3094 0.1111 0.044 Uiso 1 1 calc R . .
C29 C -0.01575(12) 0.1948(2) 0.1035(3) 0.0422(9) Uani 1 1 d . . .
C30 C 0.00506(12) 0.1220(2) 0.1033(3) 0.0442(9) Uani 1 1 d . . .
H30 H -0.0094 0.0703 0.0994 0.053 Uiso 1 1 calc R . .
C31 C -0.06545(11) 0.2095(3) 0.0969(3) 0.0525(11) Uani 1 1 d . . .
H31A H -0.0631 0.2478 0.1550 0.079 Uiso 1 1 calc R . .
H31B H -0.0791 0.1582 0.1072 0.079 Uiso 1 1 calc R . .
H31C H -0.0866 0.2323 0.0243 0.079 Uiso 1 1 calc R . .
N32 N 0.19788(9) 0.14485(18) 0.1161(2) 0.0374(7) Uani 1 1 d . . .
N33 N 0.18789(9) 0.22583(17) 0.1224(2) 0.0345(6) Uani 1 1 d . . .
C34 C 0.22742(11) 0.2648(2) 0.1335(3) 0.0353(8) Uani 1 1 d . . .
H34 H 0.2311 0.3220 0.1397 0.042 Uiso 1 1 calc R . .
C35 C 0.26360(11) 0.2110(2) 0.1350(3) 0.0402(9) Uani 1 1 d . . .
C36 C 0.24363(11) 0.1360(2) 0.1234(3) 0.0427(9) Uani 1 1 d . . .
H36 H 0.2588 0.0863 0.1209 0.051 Uiso 1 1 calc R . .
C37 C 0.31395(11) 0.2324(3) 0.1496(3) 0.0495(10) Uani 1 1 d . . .
H37A H 0.3359 0.2357 0.2288 0.074 Uiso 1 1 calc R . .
H37B H 0.3131 0.2849 0.1146 0.074 Uiso 1 1 calc R . .
H37C H 0.3256 0.1906 0.1151 0.074 Uiso 1 1 calc R . .
B38A B 0.2422(8) 0.4979(13) 0.1101(16) 0.055(10) Uiso 0.25 1 d PD A 1
F39A F 0.2062(8) 0.4798(16) 0.0085(15) 0.066(7) Uiso 0.25 1 d PD A 1
F40A F 0.2427(4) 0.4469(7) 0.1912(9) 0.093(3) Uiso 0.25 1 d PD A 1
F41A F 0.2853(6) 0.4923(12) 0.1010(16) 0.153(7) Uiso 0.25 1 d PD A 1
F42A F 0.2365(8) 0.5730(9) 0.1451(19) 0.075(6) Uiso 0.25 1 d PD A 1
B38B B 0.2468(2) 0.4977(4) 0.0827(8) 0.053(2) Uani 0.75 1 d PD B 2
F39B F 0.2020(2) 0.4635(5) 0.0174(5) 0.0621(16) Uani 0.75 1 d PD B 2
F40B F 0.27814(11) 0.43696(19) 0.1435(3) 0.0812(12) Uani 0.75 1 d PD B 2
F41B F 0.26441(15) 0.5337(2) 0.0144(4) 0.0868(12) Uani 0.75 1 d PD B 2
F42B F 0.2440(3) 0.5576(4) 0.1493(6) 0.090(2) Uani 0.75 1 d PD B 2
B43 B 0.0000 0.4370(4) 0.2500 0.0563(17) Uani 1 2 d S . .
F44 F 0.00688(10) 0.48630(17) 0.1742(2) 0.0821(8) Uani 1 1 d . . .
F45 F 0.04011(10) 0.39073(18) 0.3059(3) 0.0996(10) Uani 1 1 d . . .
B46 B 0.0000 -0.0617(4) 0.2500 0.0562(17) Uani 1 2 d S . .
F47 F -0.04037(9) -0.01296(17) 0.2005(3) 0.0848(9) Uani 1 1 d . . .
F48 F 0.00604(10) -0.10939(17) 0.1727(2) 0.0858(9) Uani 1 1 d . . .
O49 O 0.1328(5) 0.0842(8) -0.1420(11) 0.060(4) Uiso 0.20 1 d P . .
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
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
N20 Fe1 N2 177.95(11) . . ?
N20 Fe1 N9 101.63(11) . . ?
N2 Fe1 N9 80.24(12) . . ?
N20 Fe1 N15 97.63(11) . . ?
N2 Fe1 N15 80.51(11) . . ?
N9 Fe1 N15 160.74(12) . . ?
N20 Fe1 N33 80.22(11) . . ?
N2 Fe1 N33 100.62(11) . . ?
N9 Fe1 N33 91.68(10) . . ?
N15 Fe1 N33 91.16(10) . . ?
N20 Fe1 N27 80.17(11) . . ?
N2 Fe1 N27 98.99(11) . . ?
N9 Fe1 N27 91.84(10) . . ?
N15 Fe1 N27 91.84(10) . . ?
N33 Fe1 N27 160.39(12) . . ?
C3 N2 C7 119.7(3) . . ?
C3 N2 Fe1 120.5(2) . . ?
C7 N2 Fe1 119.8(2) . . ?
N2 C3 C4 122.6(3) . . ?
N2 C3 N8 110.3(3) . . ?
C4 C3 N8 127.1(3) . . ?
C3 C4 C5 116.5(4) . . ?
C4 C5 C6 122.0(4) . . ?
C7 C6 C5 116.9(4) . . ?
N2 C7 C6 122.2(3) . . ?
N2 C7 N14 110.6(3) . . ?
C6 C7 N14 127.2(3) . . ?
C12 N8 N9 111.0(3) . . ?
C12 N8 C3 132.4(3) . . ?
N9 N8 C3 116.5(3) . . ?
C10 N9 N8 104.6(3) . . ?
C10 N9 Fe1 143.0(3) . . ?
N8 N9 Fe1 112.4(2) . . ?
N9 C10 C11 111.7(3) . . ?
C12 C11 C10 105.3(3) . . ?
C12 C11 C13 128.0(4) . . ?
C10 C11 C13 126.7(4) . . ?
C11 C12 N8 107.4(3) . . ?
C18 N14 N15 110.0(3) . . ?
C18 N14 C7 132.9(3) . . ?
N15 N14 C7 117.0(3) . . ?
C16 N15 N14 105.5(3) . . ?
C16 N15 Fe1 142.4(3) . . ?
N14 N15 Fe1 112.1(2) . . ?
N15 C16 C17 111.6(3) . . ?
C18 C17 C16 105.0(3) . . ?
C18 C17 C19 127.3(3) . . ?
C16 C17 C19 127.7(4) . . ?
C17 C18 N14 107.9(3) . . ?
C25 N20 C21 119.0(3) . . ?
C25 N20 Fe1 120.5(2) . . ?
C21 N20 Fe1 120.3(2) . . ?
N20 C21 C22 123.0(3) . . ?
N20 C21 N26 110.3(3) . . ?
C22 C21 N26 126.8(3) . . ?
C21 C22 C23 116.3(3) . . ?
C24 C23 C22 122.0(4) . . ?
C25 C24 C23 117.2(3) . . ?
N20 C25 C24 122.4(3) . . ?
N20 C25 N32 110.3(3) . . ?
C24 C25 N32 127.3(3) . . ?
C30 N26 N27 110.2(3) . . ?
C30 N26 C21 132.8(3) . . ?
N27 N26 C21 117.0(3) . . ?
C28 N27 N26 105.0(3) . . ?
C28 N27 Fe1 142.9(3) . . ?
N26 N27 Fe1 112.09(19) . . ?
N27 C28 C29 111.8(3) . . ?
C30 C29 C28 104.9(3) . . ?
C30 C29 C31 127.2(3) . . ?
C28 C29 C31 127.9(4) . . ?
C29 C30 N26 108.2(3) . . ?
C36 N32 N33 110.2(3) . . ?
C36 N32 C25 132.8(3) . . ?
N33 N32 C25 116.9(2) . . ?
C34 N33 N32 105.2(3) . . ?
C34 N33 Fe1 142.5(3) . . ?
N32 N33 Fe1 112.14(19) . . ?
N33 C34 C35 111.6(3) . . ?
C36 C35 C34 105.2(3) . . ?
C36 C35 C37 127.7(3) . . ?
C34 C35 C37 127.1(3) . . ?
C35 C36 N32 107.8(3) . . ?
F39A B38A F42A 112.1(16) . . ?
F39A B38A F40A 112.6(16) . . ?
F42A B38A F40A 104.1(14) . . ?
F39A B38A F41A 106.6(15) . . ?
F42A B38A F41A 111.2(16) . . ?
F40A B38A F41A 110.4(15) . . ?
F42B B38B F40B 111.4(7) . . ?
F42B B38B F41B 106.0(6) . . ?
F40B B38B F41B 109.4(6) . . ?
F42B B38B F39B 112.8(7) . . ?
F40B B38B F39B 108.6(6) . . ?
F41B B38B F39B 108.6(7) . . ?
F45 B43 F45 111.6(6) 2 . ?
F45 B43 F44 108.19(17) . 2 ?
F45 B43 F44 110.27(19) . . ?
F44 B43 F44 108.2(5) 2 . ?
F48 B46 F48 110.2(6) 2 . ?
F48 B46 F47 110.79(19) . . ?
F48 B46 F47 108.22(15) . 2 ?
F47 B46 F47 108.6(5) . 2 ?
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
Fe1 N20 1.888(3) . ?
Fe1 N2 1.892(3) . ?
Fe1 N9 1.964(3) . ?
Fe1 N15 1.968(3) . ?
Fe1 N33 1.971(3) . ?
Fe1 N27 1.972(2) . ?
N2 C3 1.336(4) . ?
N2 C7 1.344(4) . ?
C3 C4 1.383(5) . ?
C3 N8 1.404(4) . ?
C4 C5 1.387(5) . ?
C5 C6 1.389(5) . ?
C6 C7 1.376(5) . ?
C7 N14 1.396(4) . ?
N8 C12 1.363(4) . ?
N8 N9 1.382(4) . ?
N9 C10 1.321(4) . ?
C10 C11 1.415(5) . ?
C11 C12 1.357(5) . ?
C11 C13 1.503(5) . ?
N14 C18 1.370(4) . ?
N14 N15 1.378(4) . ?
N15 C16 1.328(4) . ?
C16 C17 1.406(5) . ?
C17 C18 1.367(5) . ?
C17 C19 1.497(5) . ?
N20 C25 1.341(4) . ?
N20 C21 1.342(4) . ?
C21 C22 1.379(5) . ?
C21 N26 1.396(4) . ?
C22 C23 1.386(5) . ?
C23 C24 1.380(5) . ?
C24 C25 1.374(5) . ?
C25 N32 1.397(4) . ?
N26 C30 1.365(4) . ?
N26 N27 1.376(4) . ?
N27 C28 1.330(4) . ?
C28 C29 1.403(5) . ?
C29 C30 1.360(5) . ?
C29 C31 1.502(4) . ?
N32 C36 1.365(4) . ?
N32 N33 1.381(4) . ?
N33 C34 1.318(4) . ?
C34 C35 1.411(5) . ?
C35 C36 1.358(5) . ?
C35 C37 1.505(4) . ?
B38A F39A 1.362(17) . ?
B38A F42A 1.364(17) . ?
B38A F40A 1.371(17) . ?
B38A F41A 1.376(17) . ?
B38B F42B 1.358(9) . ?
B38B F40B 1.382(7) . ?
B38B F41B 1.382(10) . ?
B38B F39B 1.384(8) . ?
B43 F45 1.360(5) . ?
B43 F44 1.387(5) . ?
B46 F48 1.377(5) . ?
B46 F47 1.377(5) . ?
