#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/57/7015725.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_7015725
loop_
_publ_author_name
'Burrows, Andrew D.'
'Kelly, David J.'
'Mahon, Mary F.'
'Raithby, Paul R.'
'Richardson, Christopher'
'Stevenson, Anna J.'
_publ_section_title
;
 Silver coordination networks and cages based on a semi-rigid
 bis(isoxazolyl) ligand.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5483
_journal_page_last               5493
_journal_paper_doi               10.1039/c1dt10029g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C117.6 H144 Ag4 B4 F16 N12 O14.4'
_chemical_formula_weight         2734.77
_chemical_name_systematic
;
?
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   14.3960(2)
_cell_length_b                   14.3960(2)
_cell_length_c                   35.3830(7)
_cell_measurement_reflns_used    76331
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     6350.52(18)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV 1997-2004)'
_computing_data_reduction        'Denzo & Scalepack (Otwinowski, Minor 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97/2 (Sheldrick 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0926
_diffrn_reflns_av_sigmaI/netI    0.0678
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            43636
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.70
_exptl_absorpt_coefficient_mu    0.694
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.82
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            Tabloid
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Colorless
_exptl_crystal_F_000             2802
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.564
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         4919
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1332
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0258P)²+16.5869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                2692
_reflns_number_total             4919
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10029g.txt
_cod_data_source_block           Compound-6_New_k08adb03(CCDC-804682)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        6350.51(18)
_cod_original_sg_symbol_H-M      P63/m
_cod_original_formula_sum        'C117.60 H144 Ag4 B4 F16 N12 O14.40'
_cod_database_code               7015725
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'-x, -y, -z'
'-x+y, -x, -z-1/2'
'y, -x+y, -z'
'x, y, -z-1/2'
'x-y, x, -z'
'-y, x-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.0000 0.0000 0.043238(17) 0.03685(17) Uani 1 3 d S . .
Ag2 Ag 0.0000 0.0000 0.137166(18) 0.03854(18) Uani 1 3 d S . .
F1 F -0.3333 0.3333 0.1007(3) 0.125(3) Uani 1 3 d S . .
F2 F -0.2344(5) 0.3488(6) 0.1498(2) 0.175(3) Uani 1 1 d . . .
F3 F 0.2992(2) 0.7356(2) 0.08736(9) 0.0589(8) Uani 1 1 d . . .
F4 F 0.3333 0.6667 0.13973(13) 0.0428(12) Uani 1 3 d S . .
O1 O -0.1494(2) 0.0890(3) 0.05718(10) 0.0448(9) Uani 1 1 d . . .
O2 O 0.1711(3) 0.2404(3) 0.13550(10) 0.0445(9) Uani 1 1 d . . .
O3 O 0.3014(18) 0.2342(14) 0.2500 0.189(6) Uani 0.80 2 d SP . .
N1 N -0.0415(3) 0.1279(3) 0.04716(12) 0.0394(10) Uani 1 1 d . . .
N2 N 0.0597(3) 0.1751(3) 0.14114(12) 0.0432(10) Uani 1 1 d . . .
C1 C -0.1603(4) 0.1753(4) 0.06688(15) 0.0437(13) Uani 1 1 d . . .
C2 C -0.0648(4) 0.2666(4) 0.06353(13) 0.0359(11) Uani 1 1 d . . .
C3 C 0.0074(4) 0.2331(4) 0.05089(13) 0.0343(11) Uani 1 1 d . . .
C4 C -0.2706(4) 0.1492(5) 0.07724(18) 0.0619(17) Uani 1 1 d . . .
H4A H -0.2717 0.2157 0.0820 0.093 Uiso 1 1 calc R . .
H4B H -0.2931 0.1048 0.1001 0.093 Uiso 1 1 calc R . .
H4C H -0.3197 0.1098 0.0565 0.093 Uiso 1 1 calc R . .
C5 C 0.1234(4) 0.3025(4) 0.04161(14) 0.0439(13) Uani 1 1 d . . .
H5A H 0.1554 0.2574 0.0369 0.066 Uiso 1 1 calc R . .
H5B H 0.1602 0.3508 0.0628 0.066 Uiso 1 1 calc R . .
H5C H 0.1307 0.3448 0.0190 0.066 Uiso 1 1 calc R . .
C6 C -0.0388(4) 0.3800(4) 0.07014(13) 0.0411(12) Uani 1 1 d . . .
H6A H 0.0257 0.4166 0.0864 0.049 Uiso 1 1 calc R . .
H6B H -0.0990 0.3795 0.0838 0.049 Uiso 1 1 calc R . .
C7 C -0.0185(4) 0.4425(4) 0.03367(13) 0.0351(11) Uani 1 1 d . . .
C8 C 0.0762(4) 0.5372(4) 0.02776(14) 0.0416(13) Uani 1 1 d . . .
H8 H 0.1299 0.5632 0.0468 0.050 Uiso 1 1 calc R . .
C9 C -0.0944(4) 0.4056(4) 0.00504(13) 0.0387(12) Uani 1 1 d . . .
H9 H -0.1598 0.3399 0.0082 0.046 Uiso 1 1 calc R . .
C10 C 0.0239(4) 0.2377(4) 0.15275(13) 0.0355(11) Uani 1 1 d . . .
C11 C 0.1097(4) 0.3458(4) 0.15503(13) 0.0351(11) Uani 1 1 d . . .
C12 C 0.1979(4) 0.3426(4) 0.14464(14) 0.0413(12) Uani 1 1 d . . .
C13 C -0.0908(4) 0.1943(4) 0.16288(16) 0.0506(14) Uani 1 1 d . . .
H13A H -0.1333 0.1208 0.1533 0.076 Uiso 1 1 calc R . .
H13B H -0.1167 0.2393 0.1516 0.076 Uiso 1 1 calc R . .
H13C H -0.0979 0.1941 0.1904 0.076 Uiso 1 1 calc R . .
C14 C 0.3140(4) 0.4221(4) 0.14156(18) 0.0568(15) Uani 1 1 d . . .
H14A H 0.3272 0.4921 0.1505 0.085 Uiso 1 1 calc R . .
H14B H 0.3365 0.4280 0.1151 0.085 Uiso 1 1 calc R . .
H14C H 0.3549 0.3987 0.1570 0.085 Uiso 1 1 calc R . .
C15 C 0.1021(4) 0.4420(4) 0.16767(14) 0.0423(12) Uani 1 1 d . . .
H15A H 0.0355 0.4365 0.1574 0.051 Uiso 1 1 calc R . .
H15B H 0.1637 0.5080 0.1573 0.051 Uiso 1 1 calc R . .
C16 C 0.1016(4) 0.4505(3) 0.21047(14) 0.0372(12) Uani 1 1 d . . .
C17 C 0.0071(4) 0.4123(4) 0.23046(14) 0.0476(13) Uani 1 1 d . . .
H17 H -0.0588 0.3857 0.2172 0.057 Uiso 1 1 calc R . .
C18 C 0.1959(4) 0.4927(4) 0.23055(15) 0.0525(14) Uani 1 1 d . . .
H18 H 0.2621 0.5223 0.2173 0.063 Uiso 1 1 calc R . .
C19 C 0.101(2) 0.161(2) 0.2500 0.214(13) Uani 0.80 2 d SPD . .
H19A H 0.0502 0.1868 0.2500 0.321 Uiso 0.80 2 calc SPR . .
H19B H 0.0900 0.1168 0.2726 0.321 Uiso 0.40 1 calc PR . .
H19C H 0.0900 0.1168 0.2274 0.321 Uiso 0.40 1 calc PR . .
C20 C 0.215(2) 0.2551(18) 0.2500 0.218(15) Uani 0.80 2 d SPD . .
H20A H 0.2227 0.2993 0.2275 0.262 Uiso 0.40 1 calc PR . .
H20B H 0.2227 0.2993 0.2725 0.262 Uiso 0.40 1 calc PR . .
C22 C 0.401(2) 0.319(2) 0.2500 0.30(2) Uani 0.80 2 d SPD . .
H22A H 0.4098 0.3637 0.2726 0.355 Uiso 0.40 1 calc PR . .
H22B H 0.4098 0.3637 0.2274 0.355 Uiso 0.40 1 calc PR . .
C23 C 0.490(3) 0.2914(18) 0.2500 0.216(13) Uani 0.80 2 d SPD . .
H23A H 0.5603 0.3575 0.2500 0.323 Uiso 0.80 2 calc SPR . .
H23B H 0.4841 0.2493 0.2274 0.323 Uiso 0.40 1 calc PR . .
H23C H 0.4841 0.2493 0.2726 0.323 Uiso 0.40 1 calc PR . .
B1 B -0.3333 0.3333 0.1393(8) 0.117(7) Uani 1 3 d S . .
B2 B 0.3333 0.6667 0.0996(3) 0.038(2) Uani 1 3 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'
O O 0.0106 0.0060 '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'
Ag Ag -0.8971 1.1015 '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'
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
N1 Ag1 N1 119.61(2) 5 3 ?
N1 Ag1 N1 119.61(2) 5 . ?
N1 Ag1 N1 119.61(2) 3 . ?
N1 Ag1 Ag1 93.60(11) 5 7 ?
N1 Ag1 Ag1 93.60(11) 3 7 ?
N1 Ag1 Ag1 93.60(11) . 7 ?
N1 Ag1 Ag2 86.40(11) 5 . ?
N1 Ag1 Ag2 86.40(11) 3 . ?
N1 Ag1 Ag2 86.40(11) . . ?
Ag1 Ag1 Ag2 180.0 7 . ?
N2 Ag2 N2 119.60(2) 3 . ?
N2 Ag2 N2 119.60(2) 3 5 ?
N2 Ag2 N2 119.60(2) . 5 ?
N2 Ag2 Ag1 93.63(11) 3 . ?
N2 Ag2 Ag1 93.63(11) . . ?
N2 Ag2 Ag1 93.63(11) 5 . ?
C1 O1 N1 107.8(3) . . ?
C12 O2 N2 107.4(3) . . ?
C22 O3 C20 117(2) . . ?
C3 N1 O1 106.3(4) . . ?
C3 N1 Ag1 138.8(3) . . ?
O1 N1 Ag1 112.9(2) . . ?
C10 N2 O2 107.1(4) . . ?
C10 N2 Ag2 137.7(3) . . ?
O2 N2 Ag2 114.4(3) . . ?
C2 C1 O1 109.7(4) . . ?
C2 C1 C4 135.1(5) . . ?
O1 C1 C4 115.2(5) . . ?
C1 C2 C3 105.0(4) . . ?
C1 C2 C6 128.6(5) . . ?
C3 C2 C6 126.3(4) . . ?
N1 C3 C2 111.1(4) . . ?
N1 C3 C5 121.5(4) . . ?
C2 C3 C5 127.3(4) . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2 C6 C7 112.5(4) . . ?
C2 C6 H6A 109.1 . . ?
C7 C6 H6A 109.1 . . ?
C2 C6 H6B 109.1 . . ?
C7 C6 H6B 109.1 . . ?
H6A C6 H6B 107.8 . . ?
C8 C7 C9 117.9(4) . . ?
C8 C7 C6 121.1(4) . . ?
C9 C7 C6 121.0(4) . . ?
C9 C8 C7 121.3(4) 7_565 . ?
C9 C8 H8 119.4 7_565 . ?
C7 C8 H8 119.4 . . ?
C8 C9 C7 120.8(4) 7_565 . ?
C8 C9 H9 119.6 7_565 . ?
C7 C9 H9 119.6 . . ?
N2 C10 C11 110.2(4) . . ?
N2 C10 C13 121.5(4) . . ?
C11 C10 C13 128.3(4) . . ?
C12 C11 C10 105.4(4) . . ?
C12 C11 C15 128.0(5) . . ?
C10 C11 C15 126.6(4) . . ?
C11 C12 O2 109.9(4) . . ?
C11 C12 C14 135.5(5) . . ?
O2 C12 C14 114.6(4) . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 C16 112.0(4) . . ?
C11 C15 H15A 109.2 . . ?
C16 C15 H15A 109.2 . . ?
C11 C15 H15B 109.2 . . ?
C16 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C18 C16 C17 118.0(5) . . ?
C18 C16 C15 120.5(5) . . ?
C17 C16 C15 121.4(5) . . ?
C16 C17 C17 120.8(3) . 10_556 ?
C16 C17 H17 119.6 . . ?
C17 C17 H17 119.6 10_556 . ?
C16 C18 C18 121.1(3) . 10_556 ?
C16 C18 H18 119.4 . . ?
C18 C18 H18 119.4 10_556 . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O3 C20 C19 118.4(18) . . ?
O3 C20 H20A 107.7 . . ?
C19 C20 H20A 107.7 . . ?
O3 C20 H20B 107.7 . . ?
C19 C20 H20B 107.7 . . ?
H20A C20 H20B 107.1 . . ?
O3 C22 C23 114(3) . . ?
O3 C22 H22A 108.6 . . ?
C23 C22 H22A 108.6 . . ?
O3 C22 H22B 108.6 . . ?
C23 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
F1 B1 F2 105.6(12) . . ?
F1 B1 F2 105.6(12) . 5_455 ?
F2 B1 F2 113.0(10) . 5_455 ?
F1 B1 F2 105.6(12) . 3_565 ?
F2 B1 F2 113.0(10) . 3_565 ?
F2 B1 F2 113.0(10) 5_455 3_565 ?
F3 B2 F3 110.6(4) . 3_665 ?
F3 B2 F3 110.6(4) . 5_565 ?
F3 B2 F3 110.6(4) 3_665 5_565 ?
F3 B2 F4 108.3(4) . . ?
F3 B2 F4 108.3(4) 3_665 . ?
F3 B2 F4 108.3(4) 5_565 . ?
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
Ag1 N1 2.207(4) 5 ?
Ag1 N1 2.207(4) 3 ?
Ag1 N1 2.207(4) . ?
Ag1 Ag1 3.0597(12) 7 ?
Ag1 Ag2 3.3234(9) . ?
Ag2 N2 2.224(4) 3 ?
Ag2 N2 2.224(4) . ?
Ag2 N2 2.224(4) 5 ?
F1 B1 1.37(2) . ?
F2 B1 1.378(8) . ?
F3 B2 1.380(4) . ?
F4 B2 1.420(11) . ?
O1 C1 1.371(6) . ?
O1 N1 1.407(5) . ?
O2 C12 1.362(5) . ?
O2 N2 1.411(5) . ?
O3 C22 1.35(2) . ?
O3 C20 1.42(2) . ?
N1 C3 1.319(6) . ?
N2 C10 1.309(6) . ?
C1 C2 1.351(7) . ?
C1 C4 1.483(7) . ?
C2 C3 1.418(6) . ?
C2 C6 1.500(6) . ?
C3 C5 1.492(6) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.516(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.380(7) . ?
C7 C9 1.386(6) . ?
C8 C9 1.371(6) 7_565 ?
C8 H8 0.9500 . ?
C9 C8 1.371(6) 7_565 ?
C9 H9 0.9500 . ?
C10 C11 1.425(6) . ?
C10 C13 1.488(7) . ?
C11 C12 1.343(7) . ?
C11 C15 1.510(6) . ?
C12 C14 1.484(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.520(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C18 1.375(7) . ?
C16 C17 1.381(7) . ?
C17 C17 1.382(10) 10_556 ?
C17 H17 0.9500 . ?
C18 C18 1.377(10) 10_556 ?
C18 H18 0.9500 . ?
C19 C20 1.516(10) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C22 C23 1.527(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
B1 F2 1.377(8) 5_455 ?
B1 F2 1.377(8) 3_565 ?
B2 F3 1.380(4) 3_665 ?
B2 F3 1.380(4) 5_565 ?
