Crystallography Open Database

Information card for entry 1549272

Preview

Coordinates	1549272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H7.89 N O7.45 P V
Calculated formula	C H7.89 N O7.445 P V
Title of publication	Synthesis, crystal structure of the ammonium vanadyl oxalatophosphite and its controlled conversion into catalytic vanadyl phosphates
Authors of publication	C. Kouvatas; V. Alonzo; T. Bataille; L. Le Polles; C. Roiland; G. Louarn; E. Le Fur
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	253
Pages of publication	73 - 77
a	6.3844 ± 0.0004 Å
b	7.2278 ± 0.0004 Å
c	9.2965 ± 0.0005 Å
α	67.26 ± 0.004°
β	72.927 ± 0.004°
γ	85.848 ± 0.003°
Cell volume	377.8 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1549272.cif
207429	2018-04-23	cif/ Adding structures of 1549272 via cif-deposit CGI script.	1549272.cif