Crystallography Open Database

Information card for entry 2240498

Preview

Coordinates	2240498.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[(1-ammonio-1-phosphonoethyl)phosphonato]tetraaquacadmium dihydrate
Formula	C4 H28 Cd N2 O18 P4
Calculated formula	C4 H28 Cd N2 O18 P4
SMILES	C(C)([NH3+])(P(=O)(O)O[Cd]([OH2])([OH2])(OP(=O)(C(C)([NH3+])P(=O)([O-])O)O)([OH2])[OH2])P(=O)(O)[O-].O.O
Title of publication	Crystal structure of bis[(1-ammonio-1-phosphonoethyl)phosphonato]tetraaquacadmium dihydrate: a powder X-ray diffraction study
Authors of publication	Rukiah, Mwaffak; Assaad, Thaer
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	4
Pages of publication	342 - 345
a	10.69424 ± 0.00012 Å
b	5.61453 ± 0.00005 Å
c	17.2737 ± 0.0002 Å
α	90°
β	100.703 ± 0.0008°
γ	90°
Cell volume	1019.12 ± 0.019 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Goodness-of-fit parameter for all reflections	1.62
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176809 (current)	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2240498.cif
134019	2015-03-18	cif/ Adding structures of 2240498 via cif-deposit CGI script.	2240498.cif