Crystallography Open Database

Information card for entry 2106906

Preview

Coordinates	2106906.cif
External links	PubChem

Structure parameters

Chemical name	N H4 (B5 O6 (O H)4) (H2 O)2
Formula	B5 H12 N O12
Calculated formula	B5 H12 N O12
Title of publication	The alpha Phase of Ammonium Pentaborate Tetrahydrate
Authors of publication	Domenech, M. V.; Solans, X.; Solans, J.
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1981
Journal volume	37
Pages of publication	643 - 645
a	7.115 Å
b	11.301 Å
c	7.183 Å
α	90°
β	99.92°
γ	90°
Cell volume	568.926 Å³
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301802 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure.	2106906.cif
189062	2016-12-12	cif/2/10 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms.	2106906.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	2106906.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	2106906.cif
163297	2015-10-10	cif/ Adding structures of 2106906 via cif-deposit CGI script.	2106906.cif