Crystallography Open Database

Information card for entry 9016196

Preview

Coordinates	9016196.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Formula	Cl H4 N O4
Calculated formula	Cl H4 N O4
Title of publication	Neutron Diffraction Study of Ammonium Perchlorate
Authors of publication	Smith, H. G.; Levy, H. A.
Journal of publication	Acta Crystallographica
Year of publication	1962
Journal volume	15
Journal issue	12
Pages of publication	1201 - 1206
a	9.2 Å
b	5.82 Å
c	7.45 Å
α	90°
β	90°
γ	90°
Cell volume	398.903 Å³
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Duplicate of	1008111
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296821 (current)	2024-12-10	Added the '_atom_site_type_symbol' data item and updated the '_chemical_formula_sum' data value to include the attached hydrogen atoms.	9016196.cif
292100	2024-05-29	Inserting Z values into entries of range 9 that miss it	9016196.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.	9016196.cif
188425	2016-11-14	cif/9/01 Updating bibliography for multiple entries in range 9/01.	9016196.cif
188009	2016-11-07	cif/9/01 Marking attached hydrogen atoms for N atoms.	9016196.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	9016196.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.	9016196.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016196.cif