Crystallography Open Database

Information card for entry 9016569

Preview

Coordinates	9016569.cif
External links	AMCSD

Structure parameters

Formula	C F3 N2 O Sb
Calculated formula	C H4 F3 N2 O Sb
Title of publication	Structure cristalline de (N H2)2 C O, Sb F3 _cod_database_code 1008257
Authors of publication	Bourgault, M.; Fourcade, R.; Ducourant, B.; Mascherpa, G.
Journal of publication	Revue de Chimie Minerale
Year of publication	1979
Journal volume	16
Pages of publication	151 - 156
a	8.846 Å
b	8.378 Å
c	7.241 Å
α	90°
β	90°
γ	90°
Cell volume	536.643 Å³
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Duplicate of	1008257
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	9016569.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.	9016569.cif
188010	2016-11-07	cif/9 Marking attached hydrogen atoms for C and N atoms.	9016569.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	9016569.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9016569.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016569.cif