Crystallography Open Database

Information card for entry 7704071

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Coordinates	7704071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H60 Cl O18 V6
Calculated formula	C24 H60 Cl0.994 O18.006 V6
Title of publication	Site-selective halogenation of mixed-valent vanadium oxide clusters.
Authors of publication	Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	45
Pages of publication	16184 - 16192
a	10.7617 ± 0.0007 Å
b	17.7653 ± 0.0009 Å
c	10.9667 ± 0.0007 Å
α	90°
β	107.866 ± 0.007°
γ	90°
Cell volume	1995.6 ± 0.2 Å³
Cell temperature	223 ± 0.1 K
Ambient diffraction temperature	223 ± 0.1 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.2043
Weighted residual factors for all reflections included in the refinement	0.2392
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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