#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:41:21 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 301079 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/37/7063791.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_7063791
loop_
_publ_author_name
'Jiang, Yansheng'
'Jia, Hangwei'
'Wang, Wenhu'
'Arif, Muhammad'
'Yan, Xiuling'
'Hou, Xueling'
_publ_section_title
;
 Cation tuning in anionic framework hydroborates: tailored
 deep-ultraviolet optical crystals with large birefringence
;
_journal_issue                   21
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8908
_journal_page_last               8913
_journal_paper_doi               10.1039/D5NJ01198A
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'B10 H4 O18, 2(H4 N), H2 O'
_chemical_formula_sum            'B10 H14 N2 O19'
_chemical_formula_weight         454.23
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2025-03-04
_audit_creation_method
;
Olex2 1.5
(compiled 2025.02.27 svn.r83f5de26 for OlexSys, GUI svn.r7172)
;
_audit_update_record
;
2025-03-04 deposited with the CCDC.	2025-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                99.468(12)
_cell_angle_beta                 105.940(11)
_cell_angle_gamma                91.566(13)
_cell_formula_units_Z            2
_cell_length_a                   7.644(2)
_cell_length_b                   9.249(3)
_cell_length_c                   11.944(3)
_cell_measurement_reflns_used    3010
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.38
_cell_measurement_theta_min      2.24
_cell_volume                     798.6(4)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      298.00
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_unetI/netI     0.0471
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7992
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         1.802
_exptl_absorpt_coefficient_mu    0.183
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6834
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0667 before and 0.0434 after correction.
The Ratio of minimum to maximum transmission is 0.9166.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_description       block
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.098
_exptl_crystal_size_mid          0.078
_exptl_crystal_size_min          0.065
_refine_diff_density_max         0.347
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       0.017(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         2909
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0537P)²+0.4848P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1125
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2419
_reflns_number_total             2909
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj01198a2.cif
_cod_data_source_block           NHBO
_cod_depositor_comments
'Adding full bibliography for 7063791--7063794.cif.'
_cod_database_code               7063791
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.988
_shelx_estimated_absorpt_t_min   0.982
_olex2_refinement_description
;
1. Others
 Sof(O19B)=1-FVAR(1)
 Sof(O19A)=FVAR(1)
2.a Riding coordinates:
 N1(H1A,H1B,H1C), N2(H2A,H2B), N2(H2C,H2D)
2.b Idealised tetrahedral OH refined as rotating group:
 O12(H12), O18(H18), O7(H7)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O4 O 0.4033(2) 0.75933(16) 0.78346(13) 0.0181(4) Uani 1 1 d . . . . .
O13 O 0.0084(2) 0.24025(16) 0.47855(12) 0.0179(4) Uani 1 1 d . . . . .
O15 O 0.3722(2) -0.04266(17) 0.67342(13) 0.0187(4) Uani 1 1 d . . . . .
O16 O 0.3815(2) -0.14718(16) 0.47922(13) 0.0174(4) Uani 1 1 d . . . . .
O14 O 0.2050(2) 0.05194(16) 0.50395(13) 0.0171(3) Uani 1 1 d . . . . .
O8 O 0.2359(2) 0.45817(17) 0.78549(13) 0.0201(4) Uani 1 1 d . . . . .
O11 O 0.1707(2) 0.21291(16) 0.67408(13) 0.0186(4) Uani 1 1 d . . . . .
O3 O 0.5915(2) 0.84770(17) 0.97968(13) 0.0194(4) Uani 1 1 d . . . . .
O5 O 0.3850(2) 0.64724(17) 0.94898(13) 0.0185(4) Uani 1 1 d . . . . .
O12 O -0.2076(2) 0.42376(17) 0.45157(13) 0.0203(4) Uani 1 1 d . . . . .
H12 H -0.217146 0.387216 0.382583 0.030 Uiso 1 1 calc R U . . .
O10 O -0.0525(2) 0.39411(17) 0.64249(13) 0.0191(4) Uani 1 1 d . . . . .
O6 O 0.2050(2) 0.45936(16) 0.97850(13) 0.0192(4) Uani 1 1 d . . . . .
O17 O 0.5751(2) -0.23345(17) 0.64440(13) 0.0184(4) Uani 1 1 d . . . . .
O2 O 0.6505(2) 0.94934(17) 0.82077(13) 0.0193(4) Uani 1 1 d . . . . .
O9 O 0.0128(2) 0.28784(17) 0.81737(13) 0.0188(4) Uani 1 1 d . . . . .
O18 O 0.5528(2) -0.34456(18) 0.44416(13) 0.0224(4) Uani 1 1 d . . . . .
H18 H 0.616034 -0.403673 0.477602 0.034 Uiso 1 1 calc R U . . .
O7 O 0.0198(2) 0.26928(17) 1.01085(14) 0.0219(4) Uani 1 1 d . . . . .
H7 H 0.068056 0.310992 1.079059 0.033 Uiso 1 1 calc R U . . .
O1 O 0.8006(2) 1.04989(19) 1.02174(14) 0.0237(4) Uani 1 1 d . . . . .
N1 N 0.9885(3) 1.0445(2) 1.25326(18) 0.0273(5) Uani 1 1 d . . . . .
H1A H 0.957654 1.090321 1.191533 0.033 Uiso 1 1 d R U . . .
H1B H 1.086034 0.995011 1.250813 0.033 Uiso 1 1 d R U . . .
H1C H 0.896104 0.982221 1.250813 0.033 Uiso 1 1 d R U . . .
N2 N 0.4040(3) -0.2724(3) 0.20971(19) 0.0350(6) Uani 1 1 d . . . . .
H2A H 0.404730 -0.340261 0.147703 0.042 Uiso 1 1 d R U . . .
H2B H 0.289330 -0.254701 0.207493 0.042 Uiso 1 1 d R U . . .
H2C H 0.477440 -0.192621 0.247563 0.042 Uiso 1 1 d R U . . .
H2D H 0.436360 -0.346991 0.247563 0.042 Uiso 1 1 d R U . . .
O19A O 0.1237(12) 0.3489(9) 1.2383(4) 0.031(2) Uani 0.65(3) 1 d . . P A 1
B3 B 0.2732(3) 0.5208(3) 0.8999(2) 0.0150(5) Uani 1 1 d . . . . .
B7 B 0.1322(3) 0.1703(3) 0.5573(2) 0.0150(5) Uani 1 1 d . . . . .
B2 B 0.4570(3) 0.7499(3) 0.8993(2) 0.0154(5) Uani 1 1 d . . . . .
B6 B -0.0822(3) 0.3537(3) 0.5253(2) 0.0154(5) Uani 1 1 d . . . . .
B10 B 0.5052(3) -0.2441(3) 0.5261(2) 0.0169(5) Uani 1 1 d . . . . .
B4 B 0.0808(3) 0.3384(3) 0.9349(2) 0.0161(5) Uani 1 1 d . . . . .
B8 B 0.3228(3) -0.0449(3) 0.5565(2) 0.0150(5) Uani 1 1 d . . . . .
B1 B 0.6811(3) 0.9494(3) 0.9382(2) 0.0167(5) Uani 1 1 d . . . . .
B9 B 0.4994(3) -0.1417(3) 0.7309(2) 0.0171(5) Uani 1 1 d . . . . .
B5 B 0.0922(3) 0.3385(3) 0.7302(2) 0.0167(5) Uani 1 1 d . . . . .
H1 H 0.858(5) 1.114(4) 1.000(3) 0.049(10) Uiso 1 1 d . . . . .
H1D H 1.009(6) 1.129(5) 1.316(4) 0.101(16) Uiso 1 1 d . . . . .
O19B O 0.201(3) 0.407(2) 1.2275(6) 0.041(5) Uani 0.35(3) 1 d . . P A 2
H19A H 0.130(5) 0.442(4) 1.279(3) 0.058(11) Uiso 1 1 d . . . . .
H19B H 0.242(6) 0.334(5) 1.278(3) 0.069(12) Uiso 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
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
B2 O4 B9 122.88(17) . 1_565 ?
B7 O13 B6 118.08(18) . . ?
B8 O15 B9 123.43(18) . . ?
B8 O16 B10 118.34(18) . . ?
B7 O14 B8 128.80(17) . . ?
B3 O8 B5 122.32(18) . . ?
B7 O11 B5 123.45(17) . . ?
B1 O3 B2 118.79(18) . . ?
B3 O5 B2 132.06(18) . . ?
B6 O12 H12 109.5 . . ?
B6 O10 B5 123.29(18) . . ?
B3 O6 B4 118.41(18) . . ?
B10 O17 B9 122.77(18) . . ?
B1 O2 B9 122.15(18) . 1_565 ?
B4 O9 B5 122.02(18) . . ?
B10 O18 H18 109.5 . . ?
B4 O7 H7 109.5 . . ?
B1 O1 H1 119(2) . . ?
H1A N1 H1B 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1A N1 H1D 98.9 . . ?
H1B N1 H1C 109.5 . . ?
H1B N1 H1D 115.4 . . ?
H1C N1 H1D 113.5 . . ?
H2A N2 H2B 109.5 . . ?
H2A N2 H2C 132.5 . . ?
H2A N2 H2D 81.6 . . ?
H2B N2 H2C 109.5 . . ?
H2B N2 H2D 109.5 . . ?
H2C N2 H2D 109.5 . . ?
H19A O19A H19B 93(3) . . ?
O8 B3 O5 123.4(2) . . ?
O8 B3 O6 121.9(2) . . ?
O5 B3 O6 114.70(19) . . ?
O14 B7 O13 114.41(18) . . ?
O11 B7 O13 121.8(2) . . ?
O11 B7 O14 123.72(19) . . ?
O4 B2 O3 121.4(2) . . ?
O4 B2 O5 124.62(19) . . ?
O5 B2 O3 113.99(19) . . ?
O12 B6 O13 120.2(2) . . ?
O10 B6 O13 121.3(2) . . ?
O10 B6 O12 118.5(2) . . ?
O17 B10 O16 121.0(2) . . ?
O17 B10 O18 124.0(2) . . ?
O18 B10 O16 114.9(2) . . ?
O9 B4 O6 121.7(2) . . ?
O9 B4 O7 118.4(2) . . ?
O7 B4 O6 119.9(2) . . ?
O15 B8 O16 122.1(2) . . ?
O15 B8 O14 122.6(2) . . ?
O16 B8 O14 115.24(19) . . ?
O2 B1 O3 121.86(19) . . ?
O1 B1 O3 116.1(2) . . ?
O1 B1 O2 122.1(2) . . ?
O4 B9 O17 108.05(18) 1_545 . ?
O15 B9 O4 109.76(18) . 1_545 ?
O15 B9 O17 110.90(18) . . ?
O15 B9 O2 107.74(18) . 1_545 ?
O2 B9 O4 111.88(17) 1_545 1_545 ?
O2 B9 O17 108.54(18) 1_545 . ?
O8 B5 O9 111.96(17) . . ?
O11 B5 O8 109.19(18) . . ?
O11 B5 O9 107.93(18) . . ?
O10 B5 O8 107.99(18) . . ?
O10 B5 O11 111.05(17) . . ?
O10 B5 O9 108.74(18) . . ?
H19A O19B H19B 87(3) . . ?
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
O4 B2 1.349(3) . ?
O4 B9 1.475(3) 1_565 ?
O13 B7 1.394(3) . ?
O13 B6 1.397(3) . ?
O15 B8 1.339(3) . ?
O15 B9 1.465(3) . ?
O16 B10 1.390(3) . ?
O16 B8 1.383(3) . ?
O14 B7 1.383(3) . ?
O14 B8 1.387(3) . ?
O8 B3 1.342(3) . ?
O8 B5 1.470(3) . ?
O11 B7 1.332(3) . ?
O11 B5 1.470(3) . ?
O3 B2 1.385(3) . ?
O3 B1 1.380(3) . ?
O5 B3 1.373(3) . ?
O5 B2 1.376(3) . ?
O12 H12 0.8200 . ?
O12 B6 1.368(3) . ?
O10 B6 1.341(3) . ?
O10 B5 1.469(3) . ?
O6 B3 1.380(3) . ?
O6 B4 1.380(3) . ?
O17 B10 1.352(3) . ?
O17 B9 1.480(3) . ?
O2 B1 1.357(3) . ?
O2 B9 1.471(3) 1_565 ?
O9 B4 1.353(3) . ?
O9 B5 1.471(3) . ?
O18 H18 0.8200 . ?
O18 B10 1.367(3) . ?
O7 H7 0.8200 . ?
O7 B4 1.362(3) . ?
O1 B1 1.357(3) . ?
O1 H1 0.85(4) . ?
N1 H1A 0.8898 . ?
N1 H1B 0.8900 . ?
N1 H1C 0.8901 . ?
N1 H1D 0.97(5) . ?
N2 H2A 0.8900 . ?
N2 H2B 0.8901 . ?
N2 H2C 0.8900 . ?
N2 H2D 0.8900 . ?
O19A H19A 0.91(4) . ?
O19A H19B 0.92(4) . ?
O19B H19A 0.95(4) . ?
O19B H19B 0.98(4) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O12 H12 O4 0.82 2.29 2.996(2) 144.2 2_566 yes
O18 H18 O12 0.82 2.16 2.854(2) 143.0 1_645 yes
O7 H7 O19A 0.82 1.80 2.585(5) 158.8 . yes
O7 H7 O19B 0.82 1.85 2.664(13) 173.4 . yes
N1 H1A O1 0.89 2.02 2.753(3) 138.8 . yes
N2 H2D O18 0.89 2.27 2.913(3) 129.3 . yes
O1 H1 O7 0.85(4) 1.83(4) 2.638(2) 159(3) 1_665 yes
N1 H1D O13 0.97(5) 2.04(5) 2.950(3) 156(4) 1_666 yes
O19A H19A O10 0.91(4) 1.84(4) 2.712(4) 158(4) 2_567 yes
O19B H19A O10 0.95(4) 1.84(4) 2.687(7) 146(4) 2_567 yes
O19A H19B O17 0.92(4) 1.82(4) 2.694(4) 156(4) 2_657 yes
O19B H19B O17 0.98(4) 1.82(4) 2.716(8) 149(4) 2_657 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B3 O8 B5 O11 -125.8(2) . . . . ?
B3 O8 B5 O10 113.4(2) . . . . ?
B3 O8 B5 O9 -6.3(3) . . . . ?
B3 O5 B2 O4 12.4(4) . . . . ?
B3 O5 B2 O3 -168.5(2) . . . . ?
B3 O6 B4 O9 -6.1(3) . . . . ?
B3 O6 B4 O7 175.8(2) . . . . ?
B7 O13 B6 O12 -178.74(19) . . . . ?
B7 O13 B6 O10 -0.4(3) . . . . ?
B7 O14 B8 O15 6.0(3) . . . . ?
B7 O14 B8 O16 -175.92(19) . . . . ?
B7 O11 B5 O8 -110.2(2) . . . . ?
B7 O11 B5 O10 8.8(3) . . . . ?
B7 O11 B5 O9 127.9(2) . . . . ?
B2 O3 B1 O2 -4.8(3) . . . . ?
B2 O3 B1 O1 174.8(2) . . . . ?
B2 O5 B3 O8 12.3(4) . . . . ?
B2 O5 B3 O6 -169.6(2) . . . . ?
B6 O13 B7 O14 175.14(18) . . . . ?
B6 O13 B7 O11 -2.8(3) . . . . ?
B6 O10 B5 O8 107.7(2) . . . . ?
B6 O10 B5 O11 -12.0(3) . . . . ?
B6 O10 B5 O9 -130.7(2) . . . . ?
B10 O16 B8 O15 -4.3(3) . . . . ?
B10 O16 B8 O14 177.61(18) . . . . ?
B10 O17 B9 O4 107.5(2) . . . 1_545 ?
B10 O17 B9 O15 -12.8(3) . . . . ?
B10 O17 B9 O2 -131.0(2) . . . 1_545 ?
B4 O6 B3 O8 -6.6(3) . . . . ?
B4 O6 B3 O5 175.25(19) . . . . ?
B4 O9 B5 O8 -6.1(3) . . . . ?
B4 O9 B5 O11 114.1(2) . . . . ?
B4 O9 B5 O10 -125.3(2) . . . . ?
B8 O15 B9 O4 -114.6(2) . . . 1_545 ?
B8 O15 B9 O17 4.7(3) . . . . ?
B8 O15 B9 O2 123.3(2) . . . 1_545 ?
B8 O16 B10 O17 -3.9(3) . . . . ?
B8 O16 B10 O18 178.23(19) . . . . ?
B8 O14 B7 O13 -176.13(19) . . . . ?
B8 O14 B7 O11 1.8(4) . . . . ?
B1 O3 B2 O4 -5.0(3) . . . . ?
B1 O3 B2 O5 175.94(19) . . . . ?
B9 O4 B2 O3 9.1(3) 1_565 . . . ?
B9 O4 B2 O5 -171.9(2) 1_565 . . . ?
B9 O15 B8 O16 3.4(3) . . . . ?
B9 O15 B8 O14 -178.62(19) . . . . ?
B9 O17 B10 O16 13.0(3) . . . . ?
B9 O17 B10 O18 -169.3(2) . . . . ?
B9 O2 B1 O3 10.5(3) 1_565 . . . ?
B9 O2 B1 O1 -169.1(2) 1_565 . . . ?
B5 O8 B3 O5 -169.2(2) . . . . ?
B5 O8 B3 O6 12.9(3) . . . . ?
B5 O11 B7 O13 -2.0(3) . . . . ?
B5 O11 B7 O14 -179.74(19) . . . . ?
B5 O10 B6 O13 8.5(3) . . . . ?
B5 O10 B6 O12 -173.14(19) . . . . ?
B5 O9 B4 O6 12.4(3) . . . . ?
B5 O9 B4 O7 -169.41(19) . . . . ?
