Crystallography Open Database

Information card for entry 4339110

Preview

Coordinates	4339110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H20 Co0.5 N3 O14.5 P2.5 Zr2
Calculated formula	C4 H12.5 Co0.5 N3 O14.5 P2.5 Zr2
Title of publication	Synthesis, structure, and photoluminescence property of a new layered zirconium phosphate \|Co(dien)(2)\|[Zr(4)H(8)P(5)O(26)] x 3H(2)O.
Authors of publication	Du, Yu; Pan, Qinhe; Li, Jiyang; Yu, Jihong; Xu, Ruren
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	15
Pages of publication	5847 - 5851
a	12.1149 ± 0.0011 Å
b	8.8183 ± 0.0008 Å
c	17.3298 ± 0.0016 Å
α	90°
β	107.997 ± 0.002°
γ	90°
Cell volume	1760.8 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0838
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339110.cif
117145	2014-06-14	cif/ Adding structures of 4339110 via cif-deposit CGI script.	4339110.cif