Crystallography Open Database

Information card for entry 7702877

Preview

Coordinates	7702877.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Molybdenum(VI) oxide 2:1 complex with 4,9-bis(1,2,4-triazol-4- yl)diamantane Semihydrate
Chemical name	Molybdenum(VI) oxide 2:1 complex with 4,9-bis(1,2,4-triazol-4-yl)diamantane Semihydrate
Formula	C18 H23 Mo2 N6 O6.5
Calculated formula	C18 H22 Mo2 N6 O6.5
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	12.4256 ± 0.0009 Å
b	16.6809 ± 0.0016 Å
c	10.4993 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2176.2 ± 0.3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 2
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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.	7702877.cif