Crystallography Open Database

Information card for entry 9016488

Preview

Coordinates	9016488.cif
External links	AMCSD

Structure parameters

Formula	Br N
Calculated formula	Br H4 N
SMILES	[NH4+].[Br-]
Title of publication	Crystal Structure of the Low Temperature Modification of Ammonium Bromide _cod_database_code 1010540
Authors of publication	Ketelaar, J.
Journal of publication	Nature
Year of publication	1934
Journal volume	134
Pages of publication	250 - 251
a	6.007 Å
b	6.007 Å
c	4.035 Å
α	90°
β	90°
γ	90°
Cell volume	145.599 Å³
Number of distinct elements	2
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :1
Hall space group symbol	P 4ab 2ab -1ab
Duplicate of	1010540
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292100 (current)	2024-05-29	Inserting Z values into entries of range 9 that miss it	9016488.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9016488.cif
188009	2016-11-07	cif/9/01 Marking attached hydrogen atoms for N atoms.	9016488.cif
184280	2016-07-07	cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ \| while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ \| cif_filter -h $(cod-locate ${LINE[1]}) \ \| sponge $(cod-locate ${LINE[1]}); \ done	9016488.cif
176725	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9016488.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016488.cif