data_global _amcsd_formula_title 'B2(OH)4' loop_ _publ_author_name 'Baber R A' 'Norman N C' 'Orpen A G' 'Rossi J' _journal_name_full 'New Journal of Chemistry' _journal_volume 27 _journal_year 2003 _journal_page_first 772 _journal_page_last 775 _publ_section_title ; The solid-state structure of diboronic acid, B2(OH)4 ; _database_code_amcsd 0018617 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'B O2 H2' _cell_length_a 7.4090 _cell_length_b 7.6660 _cell_length_c 7.0421 _cell_angle_alpha 90 _cell_angle_beta 116.04 _cell_angle_gamma 90 _cell_volume 359.371 _exptl_crystal_density_diffrn 1.657 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv B1 0.58000 0.92370 0.08390 0.01080 B2 0.07650 0.91840 0.07570 0.01040 O1 0.55370 0.74679 0.05910 0.01430 O2 0.74980 0.97740 0.25430 0.01410 O3 0.25380 0.94490 0.25210 0.01430 O4 0.02420 0.74847 0.02030 0.01450 H1 0.29200 1.04600 0.29200 0.03400 H2 0.45200 0.71100 -0.04200 0.02300 H3 0.82800 0.89500 0.33400 0.03500 H4 0.10800 0.67600 0.09900 0.03700 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 B1 0.01050 0.00840 0.01170 -0.00180 0.00320 -0.00060 B2 0.00880 0.01000 0.01000 -0.00140 0.00180 -0.00150 O1 0.01280 0.00830 0.01470 -0.00110 -0.00060 -0.00180 O2 0.01160 0.00800 0.01240 -0.00010 -0.00440 0.00110 O3 0.01280 0.00880 0.01450 -0.00140 -0.00030 -0.00160 O4 0.01310 0.00570 0.01540 0.00110 -0.00230 0.00020