#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/04/7110456.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7110456
loop_
_publ_author_name
'Kruger, Paul E.'
'Launay, Frederic'
'McKee, Vickie'
_publ_section_title
;
 Controlled synthesis of heterotetranuclear complexes
;
_journal_issue                   7
_journal_name_full               'Chemical Communications'
_journal_page_first              639
_journal_paper_doi               10.1039/a900500e
_journal_year                    1999
_chemical_formula_sum            'C33 H41 B2 Cu2 F8 N7 O4'
_chemical_formula_weight         900.43
_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                 98.50(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.059(2)
_cell_length_b                   21.760(4)
_cell_length_c                   21.431(2)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5
_cell_volume                     3716.9(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0922
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7596
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 97
_exptl_absorpt_coefficient_mu    1.233
_exptl_absorpt_correction_T_max  0.796
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         6524
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1276
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0706P)²+0.3680P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1223
_refine_ls_wR_factor_ref         0.1497
_reflns_number_gt                3793
_reflns_number_total             6524
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            900500esup1.cif
_cod_data_source_block           1.CH3CN
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symmetry_multiplicit' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7110456
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
Cu1 Cu 0.02742(9) 0.69753(3) 0.01097(3) 0.0271(2) Uani 1 1 d . . .
Cu2 Cu 0.00451(9) 0.84646(3) 0.00696(3) 0.0265(2) Uani 1 1 d . . .
O1 O -0.0879(5) 0.63963(19) -0.04775(17) 0.0283(10) Uani 1 1 d . . .
C1 C -0.1517(7) 0.5865(3) -0.0362(3) 0.0281(15) Uani 1 1 d . . .
C2 C -0.2439(7) 0.5524(3) -0.0867(3) 0.0279(14) Uani 1 1 d . . .
C3 C -0.3117(8) 0.4955(3) -0.0753(3) 0.0328(15) Uani 1 1 d . . .
H3 H -0.3712 0.4734 -0.1098 0.039 Uiso 1 1 calc R . .
C4 C -0.2959(8) 0.4698(3) -0.0158(3) 0.0328(15) Uani 1 1 d . . .
C5 C -0.3752(8) 0.4080(3) -0.0053(3) 0.0462(19) Uani 1 1 d . . .
H5A H -0.4729 0.4141 0.0163 0.069 Uiso 1 1 calc R . .
H5B H -0.2931 0.3819 0.0206 0.069 Uiso 1 1 calc R . .
H5C H -0.4108 0.3881 -0.0461 0.069 Uiso 1 1 calc R . .
C6 C -0.2102(8) 0.5033(3) 0.0333(3) 0.0337(16) Uani 1 1 d . . .
H6 H -0.1987 0.4864 0.0745 0.040 Uiso 1 1 calc R . .
C7 C -0.1391(8) 0.5610(3) 0.0255(3) 0.0281(15) Uani 1 1 d . . .
C8 C -0.0581(8) 0.5921(3) 0.0803(3) 0.0339(16) Uani 1 1 d . . .
H8 H -0.0531 0.5706 0.1191 0.041 Uiso 1 1 calc R . .
N1 N 0.0090(7) 0.6458(3) 0.0833(2) 0.0384(14) Uani 1 1 d . . .
C9 C 0.0723(13) 0.6703(4) 0.1470(3) 0.072(3) Uani 1 1 d . . .
H9A H -0.0226 0.6885 0.1651 0.087 Uiso 1 1 calc R . .
H9B H 0.1175 0.6358 0.1746 0.087 Uiso 1 1 calc R . .
C10 C 0.2032(9) 0.7168(4) 0.1468(3) 0.047(2) Uani 1 1 d . . .
H10A H 0.2887 0.7003 0.1226 0.056 Uiso 1 1 calc R . .
H10B H 0.2585 0.7226 0.1908 0.056 Uiso 1 1 calc R . .
C11 C 0.1506(12) 0.7774(4) 0.1209(3) 0.062(2) Uani 1 1 d . . .
H11 H 0.2593 0.7989 0.1188 0.075 Uiso 1 1 calc R . .
O2 O 0.0749(5) 0.7739(2) 0.05585(17) 0.0355(10) Uani 1 1 d . . .
C12 C 0.0659(13) 0.8177(4) 0.1568(3) 0.078(3) Uani 1 1 d . . .
H12A H 0.1204 0.8140 0.2012 0.094 Uiso 1 1 calc R . .
H12B H -0.0498 0.8018 0.1551 0.094 Uiso 1 1 calc R . .
C13 C 0.0519(10) 0.8841(3) 0.1422(3) 0.0440(19) Uani 1 1 d . . .
H13A H 0.1660 0.9021 0.1491 0.053 Uiso 1 1 calc R . .
H13B H -0.0130 0.9038 0.1725 0.053 Uiso 1 1 calc R . .
N2 N -0.0287(6) 0.8999(2) 0.0771(2) 0.0297(12) Uani 1 1 d . . .
C14 C -0.1097(8) 0.9508(3) 0.0710(3) 0.0332(16) Uani 1 1 d . . .
H14 H -0.1120 0.9736 0.1087 0.040 Uiso 1 1 calc R . .
C15 C -0.1975(7) 0.9779(3) 0.0142(3) 0.0284(15) Uani 1 1 d . . .
C16 C -0.2809(8) 1.0338(3) 0.0194(3) 0.0347(16) Uani 1 1 d . . .
H16 H -0.2726 1.0523 0.0599 0.042 Uiso 1 1 calc R . .
C17 C -0.3744(8) 1.0635(3) -0.0309(3) 0.0373(17) Uani 1 1 d . . .
C18 C -0.4623(9) 1.1239(3) -0.0224(4) 0.049(2) Uani 1 1 d . . .
H18A H -0.3803 1.1575 -0.0188 0.073 Uiso 1 1 calc R . .
H18B H -0.5148 1.1221 0.0160 0.073 Uiso 1 1 calc R . .
H18C H -0.5486 1.1312 -0.0589 0.073 Uiso 1 1 calc R . .
C19 C -0.3830(7) 1.0356(3) -0.0892(3) 0.0323(16) Uani 1 1 d . . .
H19 H -0.4468 1.0548 -0.1247 0.039 Uiso 1 1 calc R . .
C20 C -0.3009(7) 0.9798(3) -0.0979(3) 0.0291(15) Uani 1 1 d . . .
C21 C -0.2047(7) 0.9497(3) -0.0456(3) 0.0256(14) Uani 1 1 d . . .
O3 O -0.1307(5) 0.89748(19) -0.05497(17) 0.0277(10) Uani 1 1 d . . .
C22 C -0.3200(8) 0.9554(3) -0.1606(3) 0.0316(15) Uani 1 1 d . . .
H22 H -0.3807 0.9798 -0.1931 0.038 Uiso 1 1 calc R . .
N3 N -0.2632(6) 0.9041(2) -0.1771(2) 0.0275(12) Uani 1 1 d . . .
H3N H -0.2079 0.8808 -0.1474 0.033 Uiso 1 1 calc R . .
C23 C -0.2842(8) 0.8815(3) -0.2421(3) 0.0347(17) Uani 1 1 d . . .
H23A H -0.1720 0.8767 -0.2550 0.042 Uiso 1 1 calc R . .
H23B H -0.3460 0.9128 -0.2699 0.042 Uiso 1 1 calc R . .
C24 C -0.3767(8) 0.8211(3) -0.2519(3) 0.0331(16) Uani 1 1 d . . .
H24A H -0.4172 0.8160 -0.2975 0.040 Uiso 1 1 calc R . .
H24B H -0.4764 0.8228 -0.2299 0.040 Uiso 1 1 calc R . .
C25 C -0.2734(8) 0.7654(3) -0.2287(3) 0.0334(15) Uani 1 1 d . . .
H25 H -0.1667 0.7658 -0.2473 0.040 Uiso 1 1 calc R . .
O4 O -0.2338(6) 0.7686(3) -0.1607(2) 0.0517(13) Uani 1 1 d . . .
H4O H -0.1292 0.7687 -0.1502 0.062 Uiso 1 1 calc R . .
C26 C -0.3643(9) 0.7059(3) -0.2456(3) 0.0378(17) Uani 1 1 d . . .
H26A H -0.4131 0.7072 -0.2908 0.045 Uiso 1 1 calc R . .
H26B H -0.4582 0.7024 -0.2208 0.045 Uiso 1 1 calc R . .
C27 C -0.2541(9) 0.6486(3) -0.2339(3) 0.0365(16) Uani 1 1 d . . .
H27A H -0.3078 0.6147 -0.2604 0.044 Uiso 1 1 calc R . .
H27B H -0.1445 0.6571 -0.2477 0.044 Uiso 1 1 calc R . .
N4 N -0.2246(6) 0.6280(2) -0.1684(2) 0.0254(12) Uani 1 1 d . . .
H4N H -0.1717 0.6530 -0.1399 0.031 Uiso 1 1 calc R . .
C28 C -0.2715(7) 0.5753(3) -0.1500(3) 0.0261(14) Uani 1 1 d . . .
H28 H -0.3298 0.5492 -0.1814 0.031 Uiso 1 1 calc R . .
N5 N 0.0924(6) 0.7407(2) -0.0610(2) 0.0250(12) Uani 1 1 d . . .
N6 N 0.0851(6) 0.8032(2) -0.0630(2) 0.0284(12) Uani 1 1 d . . .
C29 C 0.1338(7) 0.8219(3) -0.1169(3) 0.0308(15) Uani 1 1 d . . .
H29 H 0.1384 0.8635 -0.1300 0.037 Uiso 1 1 calc R . .
C30 C 0.1762(8) 0.7719(3) -0.1507(3) 0.0339(15) Uani 1 1 d . . .
H30 H 0.2157 0.7720 -0.1904 0.041 Uiso 1 1 calc R . .
C31 C 0.1486(7) 0.7215(3) -0.1141(3) 0.0316(15) Uani 1 1 d . . .
H31 H 0.1665 0.6799 -0.1246 0.038 Uiso 1 1 calc R . .
C32 C 0.4252(10) 0.2673(4) 0.0393(4) 0.060(2) Uani 1 1 d . . .
H32A H 0.3489 0.2386 0.0560 0.089 Uiso 1 1 calc R . .
H32B H 0.4126 0.3083 0.0570 0.089 Uiso 1 1 calc R . .
H32C H 0.5411 0.2532 0.0511 0.089 Uiso 1 1 calc R . .
C33 C 0.3849(10) 0.2699(4) -0.0290(5) 0.060(2) Uani 1 1 d . . .
N7 N 0.3561(10) 0.2716(4) -0.0819(4) 0.084(2) Uani 1 1 d . . .
B1 B 0.2309(11) 0.5439(4) 0.2793(4) 0.049(2) Uani 0.50 1 d PD A 1
F11 F 0.2921(5) 0.48777(17) 0.29965(18) 0.0540(12) Uani 0.50 1 d PD A 1
F12 F 0.3192(16) 0.5944(5) 0.2865(6) 0.073(4) Uani 0.50 1 d PD A 1
F13 F 0.0873(13) 0.5486(7) 0.3079(6) 0.044(3) Uani 0.50 1 d PD A 1
F14 F 0.1628(14) 0.5358(5) 0.2129(3) 0.066(3) Uani 0.50 1 d PD A 1
B1' B 0.2309(11) 0.5439(4) 0.2793(4) 0.049(2) Uani 0.50 1 d PD B 2
F11' F 0.2921(5) 0.48777(17) 0.29965(18) 0.0540(12) Uani 0.50 1 d PD B 2
F12' F 0.3415(13) 0.5829(5) 0.3247(5) 0.054(3) Uani 0.50 1 d PD B 2
F13' F 0.0782(15) 0.5618(9) 0.2825(7) 0.084(6) Uani 0.50 1 d PD B 2
F14' F 0.3019(16) 0.5567(5) 0.2255(4) 0.080(3) Uani 0.50 1 d PD B 2
B2 B 0.3001(9) 0.9231(4) 0.3019(4) 0.043(2) Uani 1 1 d D . .
F21 F 0.1343(5) 0.9061(2) 0.2941(2) 0.0686(14) Uani 1 1 d D . .
F22 F 0.3891(5) 0.8875(2) 0.34863(19) 0.0656(14) Uani 1 1 d D . .
F23 F 0.3658(5) 0.9173(2) 0.24696(18) 0.0621(13) Uani 1 1 d D . .
F24 F 0.3173(7) 0.9847(2) 0.3203(2) 0.0839(16) Uani 1 1 d 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'
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'
Cu Cu 0.3201 1.2651 '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_publ_flag
O1 Cu1 O2 158.83(17) y
O1 Cu1 N1 93.2(2) y
O2 Cu1 N1 97.7(2) y
O1 Cu1 N5 87.61(18) y
O2 Cu1 N5 85.54(19) y
N1 Cu1 N5 167.7(2) y
O2 Cu2 O3 158.37(18) y
O2 Cu2 N2 97.58(19) y
O3 Cu2 N2 93.39(19) y
O2 Cu2 N6 85.32(19) y
O3 Cu2 N6 88.15(18) y
N2 Cu2 N6 167.1(2) y
C1 O1 Cu1 128.6(4) ?
O1 C1 C7 123.1(6) ?
O1 C1 C2 119.6(5) ?
C7 C1 C2 117.3(6) ?
C3 C2 C1 120.4(6) ?
C3 C2 C28 117.8(6) ?
C1 C2 C28 121.8(6) ?
C4 C3 C2 122.5(6) ?
C6 C4 C3 117.2(6) ?
C6 C4 C5 122.0(6) ?
C3 C4 C5 120.7(6) ?
C4 C6 C7 123.5(6) ?
C6 C7 C1 119.1(6) ?
C6 C7 C8 118.3(5) ?
C1 C7 C8 122.7(6) ?
N1 C8 C7 127.6(6) ?
C8 N1 C9 117.2(6) ?
C8 N1 Cu1 124.7(4) ?
C9 N1 Cu1 118.1(5) ?
C10 C9 N1 113.3(7) ?
C9 C10 C11 117.0(7) ?
C12 C11 O2 113.1(7) ?
C12 C11 C10 119.2(7) ?
O2 C11 C10 112.1(6) ?
C11 O2 Cu1 123.6(4) ?
C11 O2 Cu2 122.0(4) ?
Cu1 O2 Cu2 114.36(18) ?
C11 C12 C13 121.4(8) ?
C12 C13 N2 115.6(6) ?
C14 N2 C13 116.1(5) ?
C14 N2 Cu2 124.2(4) ?
C13 N2 Cu2 119.6(4) ?
N2 C14 C15 128.2(6) ?
C16 C15 C21 119.5(6) ?
C16 C15 C14 118.0(6) ?
C21 C15 C14 122.5(6) ?
C17 C16 C15 123.9(6) ?
C19 C17 C16 116.6(6) ?
C19 C17 C18 121.9(6) ?
C16 C17 C18 121.5(6) ?
C17 C19 C20 122.5(6) ?
C19 C20 C21 120.3(6) ?
C19 C20 C22 117.2(5) ?
C21 C20 C22 122.6(6) ?
O3 C21 C15 123.7(5) ?
O3 C21 C20 119.0(5) ?
C15 C21 C20 117.2(6) ?
C21 O3 Cu2 127.9(3) ?
N3 C22 C20 126.1(6) ?
C22 N3 C23 124.0(5) ?
N3 C23 C24 114.2(5) ?
C23 C24 C25 114.5(5) ?
O4 C25 C26 108.1(5) ?
O4 C25 C24 108.8(5) ?
C26 C25 C24 112.7(5) ?
C25 C26 C27 114.3(5) ?
N4 C27 C26 114.6(5) ?
C28 N4 C27 123.7(5) ?
N4 C28 C2 126.1(6) ?
C31 N5 N6 107.6(5) ?
C31 N5 Cu1 133.0(4) ?
N6 N5 Cu1 119.5(4) ?
C29 N6 N5 108.3(5) ?
C29 N6 Cu2 133.4(5) ?
N5 N6 Cu2 118.3(4) ?
N6 C29 C30 110.0(6) ?
C29 C30 C31 104.7(5) ?
N5 C31 C30 109.5(6) ?
N7 C33 C32 179.0(10) ?
F12 B1 F11 123.4(9) ?
F12 B1 F13 111.1(10) ?
F11 B1 F13 102.1(8) ?
F12 B1 F14 109.7(9) ?
F11 B1 F14 105.7(7) ?
F13 B1 F14 102.8(9) ?
F23 B2 F21 111.3(6) ?
F23 B2 F22 110.3(6) ?
F21 B2 F22 109.3(6) ?
F23 B2 F24 107.3(6) ?
F21 B2 F24 110.3(6) ?
F22 B2 F24 108.3(6) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 O1 1.921(4) y
Cu1 O2 1.930(4) y
Cu1 N1 1.939(5) y
Cu1 N5 1.943(5) y
Cu1 Cu2 3.2463(12) y
Cu2 O2 1.933(4) y
Cu2 O3 1.938(4) y
Cu2 N2 1.950(5) y
Cu2 N6 1.960(5) y
O1 C1 1.303(7) ?
C1 C7 1.425(8) ?
C1 C2 1.427(8) ?
C2 C3 1.390(8) ?
C2 C28 1.432(8) ?
C3 C4 1.381(9) ?
C4 C6 1.378(9) ?
C4 C5 1.520(9) ?
C6 C7 1.400(9) ?
C7 C8 1.427(8) ?
C8 N1 1.285(8) ?
N1 C9 1.484(8) ?
C9 C10 1.462(11) ?
C10 C11 1.469(10) ?
C11 C12 1.408(11) ?
C11 O2 1.438(7) ?
C12 C13 1.479(10) ?
C13 N2 1.489(7) ?
N2 C14 1.283(8) ?
C14 C15 1.440(8) ?
C15 C16 1.402(9) ?
C15 C21 1.415(8) ?
C16 C17 1.381(9) ?
C17 C19 1.381(9) ?
C17 C18 1.516(9) ?
C19 C20 1.409(8) ?
C20 C21 1.424(8) ?
C20 C22 1.432(8) ?
C21 O3 1.312(7) ?
C22 N3 1.278(8) ?
N3 C23 1.463(7) ?
C23 C24 1.511(8) ?
C24 C25 1.512(8) ?
C25 O4 1.446(7) ?
C25 C26 1.506(9) ?
C26 C27 1.530(9) ?
C27 N4 1.459(7) ?
N4 C28 1.287(7) ?
N5 C31 1.352(7) ?
N5 N6 1.361(6) ?
N6 C29 1.338(7) ?
C29 C30 1.378(8) ?
C30 C31 1.386(8) ?
C32 C33 1.453(11) ?
C33 N7 1.123(10) ?
B1 F12 1.306(12) ?
B1 F11 1.364(8) ?
B1 F13 1.391(12) ?
B1 F14 1.459(10) ?
B2 F23 1.367(8) ?
B2 F21 1.373(8) ?
B2 F22 1.379(8) ?
B2 F24 1.399(9) ?
