Crystallography Open Database

Information card for entry 7218635

Preview

Coordinates	7218635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cd N2 O14 P4
Calculated formula	C10 H16 Cd N2 O14 P4
Title of publication	Synthesis, structural characterization and computational studies of layered metal phosphonates: [M(HO3P‒C5H4N‒PO3H)2(H2O)2]n [MII= Co, Zn, Cd]
Authors of publication	Videnova-Adrabinska, Veneta Georgieva; Wilk, Magdalena; Jarzembska, Katarzyna Natalia; Janczak, Jan; Duczmal, Marek; Hoffmann, Józef
Journal of publication	RSC Adv.
Year of publication	2014
a	9.331 ± 0.002 Å
b	8.663 ± 0.001 Å
c	11.793 ± 0.002 Å
α	90°
β	96.33 ± 0.01°
γ	90°
Cell volume	947.5 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1412
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7218635.cif
126137	2014-11-01	cif/ Adding structures of 7218633, 7218634, 7218635 via cif-deposit CGI script.	7218635.cif