Crystallography Open Database

Information card for entry 7101483

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Coordinates	7101483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H74 B Cl2 F4 N4 S12 V2
Calculated formula	C37 H73 B Cl2 F4 N4 S12 V2
Title of publication	Highly-Oxidised, Sulfur-Rich, Mixed-Valence Vanadium(IV/V) Complexes
Authors of publication	C. Young; David J. Evans; Michelle K. Taylor
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	40
a	11.6884 ± 0.0008 Å
b	16.6907 ± 0.0011 Å
c	17.7774 ± 0.0011 Å
α	105.742 ± 0.001°
β	95.216 ± 0.001°
γ	107.462 ± 0.001°
Cell volume	3127.7 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1168
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.2086
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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