Crystallography Open Database

Information card for entry 7205529

7205528 << 7205529 >> 7205530

Preview

Coordinates	7205529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 N3 O40 P W12
Calculated formula	C15 H18 N3 O40 P W12
Title of publication	Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.
Authors of publication	Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	322 - 327
a	12.216 ± 0.003 Å
b	14.035 ± 0.003 Å
c	12.988 ± 0.003 Å
α	90°
β	98.045 ± 0.013°
γ	90°
Cell volume	2204.9 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.2909
Residual factor for significantly intense reflections	0.1145
Weighted residual factors for significantly intense reflections	0.2535
Weighted residual factors for all reflections included in the refinement	0.3095
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
180386 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/55.	7205529.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205529.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205529.cif
14723	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205528, 7205529 via cif-deposit CGI script.	7205529.cif