Crystallography Open Database

Information card for entry 2016172

2016171 << 2016172 >> 2016173

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Coordinates	2016172.cif
Original IUCr paper	HTML
External links	ChemSpider

Structure parameters

Common name	boric acid
Chemical name	boric acid
Formula	B H3 O3
Calculated formula	B H3 O3
SMILES	B(O)(O)O
Title of publication	Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction
Authors of publication	Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.
Journal of publication	Acta Crystallographica Section C
Year of publication	2007
Journal volume	63
Journal issue	9
Pages of publication	i80 - i82
a	7.0453 Å
b	7.0453 Å
c	9.6 ± 0.01 Å
α	90°
β	90°
γ	120°
Cell volume	412.7 ± 0.4 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 K
Number of distinct elements	3
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Goodness-of-fit parameter for all reflections	3.97
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201957 (current)	2017-10-13	cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	2016172.cif
194538	2017-03-27	cif/ (antanas@kurmis) Marking attached hydrogen atoms in entries 2000249, 2000272, 2000700, 2000859, 2000860, 2001068, 2001182, 2005497, 2006186, 2006499, 2006795, 2007335, 2009895, 2009997, 2010189, 2010462, 2010463, 2011359, 2012799, 2013158, 2014024, 2015681, 2016172, 2020133, 2020169, 2020170, 2020234, 2100035, 2100877, 2101761, 2103178, 2104511, 2105433, 2106054, 2106222, 2106501, 2106753, 2106856, 2107017, 2200258, 2200845, 2201708, 2201849, 2202298, 2207699, 2208136, 2212179, 2215257, 2217316, 2217868, 2239331, 2300000, 2310439.	2016172.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2016172.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2016172.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2016172.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2016172.cif
26029	2011-09-17	cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).	2016172.cif
25271	2011-09-10	cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.	2016172.cif
21739	2011-06-27	smi/7 More SMILES and a few minor CIF fixes.	2016172.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2016172.cif
326	2008-04-03	Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site.	2016172.cif