Crystallography Open Database

Information card for entry 4304117

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Coordinates	4304117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Li N4 P Se4
Calculated formula	C20 H20 Li N4 P Se4
Title of publication	Structural and NMR Spectroscopic Investigations of Chair and Twist Conformers of the P2Se82- Anion
Authors of publication	Christiane Rotter; Michael Schuster; Mustafa Kidik; Oliver Schön; Thomas M. Klapötke; Konstantin Karaghiosoff
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1663 - 1673
a	10.1582 ± 0.0008 Å
b	10.7716 ± 0.0008 Å
c	12.7499 ± 0.001 Å
α	95.271 ± 0.006°
β	94.847 ± 0.006°
γ	114.219 ± 0.007°
Cell volume	1255.41 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1739
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	0.897
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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