Crystallography Open Database

Information card for entry 7702874

Preview

Coordinates	7702874.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Molybdenum(VI) oxide 2:1 complex with 1,3-bis(1,2,4-triazol-4- yl)propane
Chemical name	Molybdenum(VI) oxide 2:1 complex with 1,3-bis(1,2,4-triazol-4-yl)propane
Formula	C7 H10 Mo2 N6 O6
Calculated formula	C7 H10 Mo2 N6 O6
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	9.405 ± 0.0004 Å
b	11.7467 ± 0.0005 Å
c	11.9594 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1321.25 ± 0.1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	7702874.cif