Crystallography Open Database

Information card for entry 7702879

Preview

Coordinates	7702879.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Molybdenum(VI) oxide complex with 5-(4-(1,2,4-triazol-4- yl)phenyl)tetrazole
Chemical name	Molybdenum(VI) oxide complex with 5-[4-(1,2,4-triazol-4-yl)phenyl]tetrazole
Formula	C9 H7 Mo N7 O3
Calculated formula	C9 H7 Mo N7 O3
Title of publication	Metal oxide-organic frameworks (MOOFs), a new series of coordination hybrids constructed from molybdenum(VI) oxide and bitopic 1,2,4-triazole linkers.
Authors of publication	Lysenko, Andrey B.; Senchyk, Ganna A.; Lincke, Jörg; Lässig, Daniel; Fokin, Andrey A.; Butova, Ekaterina D.; Schreiner, Peter R.; Krautscheid, Harald; Domasevitch, Konstantin V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	17
Pages of publication	4223 - 4231
a	19.5123 ± 0.0011 Å
b	19.5123 ± 0.0011 Å
c	11.9438 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4547.4 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
244083 (current)	2019-11-28	cif/ Adding structures of 7702873, 7702874, 7702875, 7702876, 7702877, 7702878, 7702879 via cif-deposit CGI script.	7702879.cif