Crystallography Open Database

Information card for entry 7120081

7120080 << 7120081 >> 7120082

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Coordinates	7120081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 Ca F8 O8 P2
Calculated formula	C12 H22 Ca F8 O8 P2
Title of publication	Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.
Authors of publication	Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	33
Pages of publication	4573 - 4576
a	28.1056 ± 0.001 Å
b	11.9971 ± 0.0005 Å
c	13.0595 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4403.5 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1521
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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