Crystallography Open Database

Information card for entry 7702873

Preview

Coordinates	7702873.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Molybdenum(VI) oxide 2:1 complex with 1,2-bis(1,2,4-triazol-4- yl)ethane
Chemical name	Molybdenum(VI) oxide 2:1 complex with 1,2-bis(1,2,4-triazol-4-yl)ethane
Formula	C12 H16 Mo4 N12 O12
Calculated formula	C12 H16 Mo4 N12 O12
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	15.2779 ± 0.0016 Å
b	12.6491 ± 0.0013 Å
c	12.1712 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2352.1 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7702873.cif