Crystallography Open Database

Information card for entry 4304912

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Coordinates	4304912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H75 Cl5 N6 O52 P6 V12
Calculated formula	C117 H78 Cl5 N6 O52 P6 V12
Title of publication	Mixed-Valent Dodecanuclear Vanadium Cluster Encapsulating Chloride Anions and Its Reaction To Form a "Bowl"-Shaped Cluster
Authors of publication	Sanjit Konar; Abraham Clearfield
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3492 - 3494
a	16.8442 ± 0.0016 Å
b	16.8442 ± 0.0016 Å
c	34.778 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	8545 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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