Crystallography Open Database

Information card for entry 7050579

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Coordinates	7050579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 H4 O4
Calculated formula	B2 H4 O4
Title of publication	The solid-state structure of diboronic acid, B2(OH)4
Authors of publication	Baber, R. Angharad; Norman, Nicholas C.; Orpen, A. Guy; Rossi, Jean
Journal of publication	New Journal of Chemistry
Year of publication	2003
Journal volume	27
Journal issue	5
Pages of publication	773
a	7.409 ± 0.0015 Å
b	7.666 ± 0.0015 Å
c	7.0421 ± 0.0014 Å
α	90°
β	116.04 ± 0.03°
γ	90°
Cell volume	359.37 ± 0.15 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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