Crystallography Open Database

Information card for entry 1518890

Preview

Coordinates	1518890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mo7.62 O29.23 V2.38
Calculated formula	Mo7.625 O29.23 V2.3745
Title of publication	Redox Treatment of Orthorhombic Mo29V11O112and Relationships between Crystal Structure, Microporosity and Catalytic Performance for Selective Oxidation of Ethane
Authors of publication	Ishikawa, Satoshi; Kobayashi, Daichi; Konya, Takeshi; Ohmura, Shunpei; Murayama, Toru; Yasuda, Nobuhiro; Sadakane, Masahiro; Ueda, Wataru
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2015
Journal volume	119
Journal issue	13
Pages of publication	7195
a	20.9864 ± 0.0005 Å
b	26.4023 ± 0.0006 Å
c	3.98755 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	2209.46 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.83077 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518890.cif
134847	2015-04-04	cif/ Updating files of 1518890 Original log message: Adding full bibliography for 1518890.cif.	1518890.cif
134302	2015-03-24	cif/ Adding structures of 1518890 via cif-deposit CGI script.	1518890.cif