Crystallography Open Database

Information card for entry 1552112

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Coordinates	1552112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H45 O19 P V6
Calculated formula	C15 H45 O19 P V6
Title of publication	Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide
Authors of publication	Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen
Journal of publication	Chemical Science
Year of publication	2019
a	20.7527 ± 0.0003 Å
b	20.6175 ± 0.0003 Å
c	17.6285 ± 0.0003 Å
α	90°
β	106.417 ± 0.002°
γ	90°
Cell volume	7235.2 ± 0.2 Å³
Cell temperature	192.99 ± 0.1 K
Ambient diffraction temperature	192.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.2638
Weighted residual factors for all reflections included in the refinement	0.2878
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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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