#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/37/4313765.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_4313765
loop_
_publ_author_name
'Daniel L. Reger'
'Radu F. Semeniuc'
'Ioan Silaghi-Dumitrescu'
'Mark D. Smith'
_publ_contact_author_address
;
Department of Chemistry and Biochemistry
University of South Carolina
Columbia, South Carolina 29208
USA
;
_publ_contact_author_email       reger@mail.chem.sc.edu
_publ_contact_author_fax         '1 803 777 9521'
_publ_contact_author_name        'Professor Daniel L. Reger'
_publ_contact_author_phone       '1 803 777 2587'
_publ_section_title
;
 Influences of Changes in Multitopic Tris(pyrazolyl)methane Ligand
 Topology on Silver(I) Supramolecular Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3751
_journal_page_last               3764
_journal_paper_doi               10.1021/ic034039r
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C32 H35 Ag B F4 N12 O2.5'
_chemical_formula_weight         822.40
_chemical_name_systematic
; 
 ? 
;
_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                 109.778(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.606(2)
_cell_length_b                   14.9439(11)
_cell_length_c                   17.2648(13)
_cell_measurement_reflns_used    8786
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.371
_cell_measurement_theta_min      2.452
_cell_volume                     6945.1(9)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega 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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22836
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.654
_exptl_absorpt_correction_T_max  0.9454
_exptl_absorpt_correction_T_min  0.8281
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3352
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.698
_refine_diff_density_min         -0.395
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         7104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0485P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0973
_reflns_number_gt                5108
_reflns_number_total             7104
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034039rsi20030123_104234_2.cif
_cod_data_source_block           cmpd2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        6945.0(9)
_cod_original_formula_sum        'C32 H35 Ag B F4 N12 O2.50'
_cod_database_code               4313765
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
Ag Ag 0.122383(9) 0.749104(14) 0.272400(14) 0.03693(9) Uani 1 1 d . . .
C1 C 0.13600(11) 0.52046(19) 0.26864(16) 0.0315(6) Uani 1 1 d . . .
C2 C 0.11816(10) 0.97604(18) 0.28900(16) 0.0254(6) Uani 1 1 d . . .
C11 C 0.22961(11) 0.5261(2) 0.31187(17) 0.0363(7) Uani 1 1 d . . .
H11 H 0.2362 0.4646 0.3061 0.044 Uiso 1 1 calc R . .
C12 C 0.26370(12) 0.5923(2) 0.33473(19) 0.0409(7) Uani 1 1 d . . .
H12 H 0.2987 0.5869 0.3484 0.049 Uiso 1 1 calc R . .
C13 C 0.23674(11) 0.6701(2) 0.33395(17) 0.0344(7) Uani 1 1 d . . .
H13 H 0.2512 0.7278 0.3475 0.041 Uiso 1 1 calc R . .
C21 C 0.09280(12) 0.5087(2) 0.11318(17) 0.0391(7) Uani 1 1 d . . .
H21 H 0.1020 0.4496 0.1040 0.047 Uiso 1 1 calc R . .
C22 C 0.06280(12) 0.5651(2) 0.05582(18) 0.0416(8) Uani 1 1 d . . .
H22 H 0.0472 0.5540 -0.0013 0.050 Uiso 1 1 calc R . .
C23 C 0.05993(12) 0.6423(2) 0.09873(17) 0.0378(7) Uani 1 1 d . . .
H23 H 0.0412 0.6938 0.0743 0.045 Uiso 1 1 calc R . .
C31 C 0.11971(12) 0.58722(19) 0.39429(17) 0.0354(7) Uani 1 1 d . . .
H31 H 0.1510 0.6132 0.4240 0.043 Uiso 1 1 calc R . .
C32 C 0.07791(12) 0.5885(2) 0.41542(18) 0.0405(7) Uani 1 1 d . . .
H32 H 0.0738 0.6159 0.4623 0.049 Uiso 1 1 calc R . .
C33 C 0.04244(12) 0.5407(2) 0.35312(18) 0.0423(8) Uani 1 1 d . . .
H33 H 0.0094 0.5305 0.3516 0.051 Uiso 1 1 calc R . .
C41 C 0.10030(10) 1.0104(2) 0.13726(17) 0.0330(7) Uani 1 1 d . . .
H41 H 0.0961 1.0734 0.1378 0.040 Uiso 1 1 calc R . .
C42 C 0.09802(11) 0.9601(2) 0.07092(17) 0.0386(7) Uani 1 1 d . . .
H42 H 0.0917 0.9800 0.0160 0.046 Uiso 1 1 calc R . .
C43 C 0.10701(11) 0.8726(2) 0.10066(17) 0.0357(7) Uani 1 1 d . . .
H43 H 0.1078 0.8221 0.0678 0.043 Uiso 1 1 calc R . .
C51 C 0.04640(10) 0.9760(2) 0.34386(16) 0.0328(7) Uani 1 1 d . . .
H51 H 0.0414 1.0386 0.3464 0.039 Uiso 1 1 calc R . .
C52 C 0.02071(11) 0.9106(2) 0.36585(17) 0.0376(7) Uani 1 1 d . . .
H52 H -0.0060 0.9178 0.3864 0.045 Uiso 1 1 calc R . .
C53 C 0.04133(11) 0.8309(2) 0.35221(17) 0.0356(7) Uani 1 1 d . . .
H53 H 0.0306 0.7735 0.3627 0.043 Uiso 1 1 calc R . .
C61 C 0.18115(11) 0.9042(2) 0.41500(16) 0.0361(7) Uani 1 1 d . . .
H61 H 0.1605 0.8885 0.4459 0.043 Uiso 1 1 calc R . .
C62 C 0.23135(11) 0.8945(2) 0.43853(18) 0.0432(8) Uani 1 1 d . . .
H62 H 0.2529 0.8696 0.4885 0.052 Uiso 1 1 calc R . .
C63 C 0.24442(11) 0.9286(2) 0.37401(19) 0.0398(7) Uani 1 1 d . . .
H63 H 0.2776 0.9309 0.3740 0.048 Uiso 1 1 calc R . .
C70 C 0.14153(12) 0.41796(18) 0.26568(17) 0.0367(7) Uani 1 1 d . . .
H70A H 0.1084 0.3895 0.2425 0.044 Uiso 1 1 calc R . .
H70B H 0.1613 0.4021 0.2305 0.044 Uiso 1 1 calc R . .
C71 C 0.14543(18) 0.3156(3) 0.3693(2) 0.0898(17) Uani 1 1 d . . .
H71A H 0.1478 0.2644 0.3344 0.108 Uiso 1 1 calc R . .
H71B H 0.1098 0.3273 0.3590 0.108 Uiso 1 1 calc R . .
C72 C 0.16984(12) 0.2906(2) 0.45780(18) 0.0378(7) Uani 1 1 d . . .
C73 C 0.17544(12) 0.3521(2) 0.5190(2) 0.0452(8) Uani 1 1 d . . .
H73 H 0.1632 0.4111 0.5046 0.054 Uiso 1 1 calc R . .
C74 C 0.19833(12) 0.3309(2) 0.60082(19) 0.0433(8) Uani 1 1 d . . .
H74 H 0.2017 0.3746 0.6423 0.052 Uiso 1 1 calc R . .
C75 C 0.21610(13) 0.2462(2) 0.62161(19) 0.0465(8) Uani 1 1 d . . .
H75 H 0.2324 0.2308 0.6777 0.056 Uiso 1 1 calc R . .
C76 C 0.21026(11) 0.1833(2) 0.5609(2) 0.0432(8) Uani 1 1 d . . .
H76 H 0.2223 0.1243 0.5759 0.052 Uiso 1 1 calc R . .
C77 C 0.18736(10) 0.2039(2) 0.47881(18) 0.0327(7) Uani 1 1 d . . .
C78 C 0.18291(12) 0.1329(3) 0.4158(2) 0.0570(10) Uani 1 1 d . . .
H78A H 0.1952 0.1560 0.3724 0.068 Uiso 1 1 calc R . .
H78B H 0.2033 0.0805 0.4418 0.068 Uiso 1 1 calc R . .
C79 C 0.11748(11) 0.07928(18) 0.29717(17) 0.0320(6) Uani 1 1 d . . .
H79A H 0.1406 0.1059 0.2719 0.038 Uiso 1 1 calc R . .
H79B H 0.0837 0.1017 0.2667 0.038 Uiso 1 1 calc R . .
N11 N 0.18864(9) 0.65378(15) 0.31197(13) 0.0311(5) Uani 1 1 d . . .
N12 N 0.18403(9) 0.56315(15) 0.29858(13) 0.0298(5) Uani 1 1 d . . .
N21 N 0.08640(10) 0.63536(15) 0.17780(14) 0.0358(6) Uani 1 1 d . . .
N22 N 0.10710(9) 0.55295(15) 0.18578(13) 0.0315(5) Uani 1 1 d . . .
N31 N 0.06042(9) 0.51142(18) 0.29677(15) 0.0397(6) Uani 1 1 d . . .
N32 N 0.10777(9) 0.54151(16) 0.32227(13) 0.0304(5) Uani 1 1 d . . .
N41 N 0.11423(9) 0.86906(15) 0.18044(14) 0.0309(5) Uani 1 1 d . . .
N42 N 0.10958(8) 0.95489(15) 0.20257(13) 0.0269(5) Uani 1 1 d . . .
N51 N 0.07793(8) 0.84454(15) 0.32278(13) 0.0300(5) Uani 1 1 d . . .
N52 N 0.08078(8) 0.93546(15) 0.31742(13) 0.0259(5) Uani 1 1 d . . .
N61 N 0.20553(9) 0.95772(16) 0.31226(15) 0.0337(6) Uani 1 1 d . . .
N62 N 0.16657(8) 0.94094(14) 0.33845(13) 0.0260(5) Uani 1 1 d . . .
O1 O 0.16571(8) 0.38806(14) 0.34703(12) 0.0445(6) Uani 1 1 d . . .
O2 O 0.13129(7) 0.10670(13) 0.37958(12) 0.0347(5) Uani 1 1 d . . .
B B 0.12649(15) 0.2527(2) 0.0963(2) 0.0427(9) Uani 1 1 d . . .
F1 F 0.14002(12) 0.22257(14) 0.17628(13) 0.0852(8) Uani 1 1 d . . .
F2 F 0.07906(9) 0.28841(17) 0.07441(17) 0.0833(7) Uani 1 1 d . . .
F3 F 0.15675(8) 0.32051(14) 0.09037(13) 0.0663(6) Uani 1 1 d . . .
F4 F 0.12696(9) 0.18290(13) 0.04582(12) 0.0659(6) Uani 1 1 d . . .
C1S C 0.99980(18) 0.2582(3) 0.1828(3) 0.0850(15) Uani 1 1 d . . .
H1S1 H 0.9779 0.3104 0.1799 0.102 Uiso 1 1 calc R . .
H1S2 H 1.0338 0.2809 0.1925 0.102 Uiso 1 1 calc R . .
C2S C 0.98303(19) 0.2118(4) 0.1067(3) 0.0987(18) Uani 1 1 d . . .
H2S1 H 1.0044 0.1599 0.1094 0.148 Uiso 1 1 calc R . .
H2S2 H 0.9842 0.2518 0.0625 0.148 Uiso 1 1 calc R . .
H2S3 H 0.9488 0.1916 0.0957 0.148 Uiso 1 1 calc R . .
O1S O 1.0000 0.2024(3) 0.2500 0.0655(10) Uani 1 2 d S . .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
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
N51 Ag N11 142.48(8) . . ?
N51 Ag N21 123.53(9) . . ?
N11 Ag N21 83.12(8) . . ?
N51 Ag N41 80.76(8) . . ?
N11 Ag N41 124.05(8) . . ?
N21 Ag N41 99.36(8) . . ?
N12 C1 N32 110.1(2) . . ?
N12 C1 N22 110.9(2) . . ?
N32 C1 N22 107.3(2) . . ?
N12 C1 C70 110.8(2) . . ?
N32 C1 C70 108.7(2) . . ?
N22 C1 C70 109.0(2) . . ?
N52 C2 N62 108.3(2) . . ?
N52 C2 N42 111.5(2) . . ?
N62 C2 N42 108.6(2) . . ?
N52 C2 C79 110.6(2) . 1_565 ?
N62 C2 C79 110.1(2) . 1_565 ?
N42 C2 C79 107.8(2) . 1_565 ?
C12 C11 N12 107.9(3) . . ?
C11 C12 C13 105.4(3) . . ?
N11 C13 C12 111.6(3) . . ?
N22 C21 C22 106.9(3) . . ?
C21 C22 C23 105.2(3) . . ?
N21 C23 C22 111.7(3) . . ?
N32 C31 C32 106.3(3) . . ?
C31 C32 C33 105.1(3) . . ?
N31 C33 C32 111.9(3) . . ?
N42 C41 C42 107.8(3) . . ?
C41 C42 C43 105.0(2) . . ?
N41 C43 C42 111.4(3) . . ?
C52 C51 N52 107.2(3) . . ?
C51 C52 C53 105.7(3) . . ?
N51 C53 C52 111.8(3) . . ?
N62 C61 C62 106.2(3) . . ?
C61 C62 C63 105.4(3) . . ?
N61 C63 C62 112.7(3) . . ?
O1 C70 C1 107.6(2) . . ?
O1 C71 C72 113.3(3) . . ?
C73 C72 C77 119.1(3) . . ?
C73 C72 C71 120.8(3) . . ?
C77 C72 C71 120.1(3) . . ?
C72 C73 C74 121.8(3) . . ?
C75 C74 C73 119.2(3) . . ?
C74 C75 C76 119.6(3) . . ?
C75 C76 C77 121.5(3) . . ?
C76 C77 C72 118.6(3) . . ?
C76 C77 C78 118.9(3) . . ?
C72 C77 C78 122.4(3) . . ?
O2 C78 C77 109.2(2) . . ?
O2 C79 C2 112.0(2) . 1_545 ?
C13 N11 N12 105.2(2) . . ?
C13 N11 Ag 130.50(19) . . ?
N12 N11 Ag 122.86(17) . . ?
C11 N12 N11 109.9(2) . . ?
C11 N12 C1 128.4(2) . . ?
N11 N12 C1 121.5(2) . . ?
C23 N21 N22 104.7(2) . . ?
C23 N21 Ag 128.80(19) . . ?
N22 N21 Ag 121.06(17) . . ?
C21 N22 N21 111.5(2) . . ?
C21 N22 C1 129.3(2) . . ?
N21 N22 C1 118.8(2) . . ?
C33 N31 N32 104.3(2) . . ?
N31 N32 C31 112.3(2) . . ?
N31 N32 C1 115.6(2) . . ?
C31 N32 C1 132.1(2) . . ?
C43 N41 N42 105.0(2) . . ?
C43 N41 Ag 132.70(19) . . ?
N42 N41 Ag 121.78(16) . . ?
C41 N42 N41 110.8(2) . . ?
C41 N42 C2 129.5(2) . . ?
N41 N42 C2 119.5(2) . . ?
C53 N51 N52 104.6(2) . . ?
C53 N51 Ag 131.9(2) . . ?
N52 N51 Ag 123.01(16) . . ?
C51 N52 N51 110.7(2) . . ?
C51 N52 C2 128.8(2) . . ?
N51 N52 C2 120.4(2) . . ?
C63 N61 N62 103.4(2) . . ?
C61 N62 N61 112.4(2) . . ?
C61 N62 C2 129.3(2) . . ?
N61 N62 C2 117.5(2) . . ?
C71 O1 C70 115.2(2) . . ?
C79 O2 C78 114.4(2) . . ?
F3 B F4 112.3(3) . . ?
F3 B F1 110.4(3) . . ?
F4 B F1 109.4(3) . . ?
F3 B F2 106.3(3) . . ?
F4 B F2 110.0(3) . . ?
F1 B F2 108.4(3) . . ?
C2S C1S O1S 112.0(4) . . ?
C1S O1S C1S 108.5(5) . 2_755 ?
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
Ag N51 2.271(2) . ?
Ag N11 2.283(2) . ?
Ag N21 2.341(2) . ?
Ag N41 2.353(2) . ?
C1 N12 1.443(4) . ?
C1 N32 1.454(4) . ?
C1 N22 1.471(3) . ?
C1 C70 1.543(4) . ?
C2 N52 1.452(3) . ?
C2 N62 1.456(3) . ?
C2 N42 1.463(3) . ?
C2 C79 1.550(4) 1_565 ?
C11 C12 1.351(4) . ?
C11 N12 1.363(4) . ?
C12 C13 1.393(4) . ?
C13 N11 1.320(4) . ?
C21 N22 1.352(3) . ?
C21 C22 1.361(4) . ?
C22 C23 1.389(4) . ?
C23 N21 1.322(3) . ?
C31 N32 1.357(3) . ?
C31 C32 1.363(4) . ?
C32 C33 1.400(4) . ?
C33 N31 1.319(4) . ?
C41 N42 1.351(3) . ?
C41 C42 1.353(4) . ?
C42 C43 1.396(4) . ?
C43 N41 1.323(3) . ?
C51 C52 1.352(4) . ?
C51 N52 1.359(3) . ?
C52 C53 1.384(4) . ?
C53 N51 1.325(3) . ?
C61 N62 1.359(3) . ?
C61 C62 1.361(4) . ?
C62 C63 1.387(4) . ?
C63 N61 1.327(4) . ?
C70 O1 1.412(3) . ?
C71 O1 1.345(4) . ?
C71 C72 1.497(4) . ?
C72 C73 1.368(4) . ?
C72 C77 1.391(4) . ?
C73 C74 1.379(4) . ?
C74 C75 1.366(4) . ?
C75 C76 1.375(4) . ?
C76 C77 1.381(4) . ?
C77 C78 1.494(4) . ?
C78 O2 1.449(3) . ?
C79 O2 1.403(3) . ?
C79 C2 1.550(4) 1_545 ?
N11 N12 1.373(3) . ?
N21 N22 1.353(3) . ?
N31 N32 1.352(3) . ?
N41 N42 1.358(3) . ?
N51 N52 1.366(3) . ?
N61 N62 1.360(3) . ?
B F3 1.359(4) . ?
B F4 1.361(4) . ?
B F1 1.378(4) . ?
B F2 1.387(4) . ?
C1S C2S 1.417(6) . ?
C1S O1S 1.428(5) . ?
O1S C1S 1.428(5) 2_755 ?
