Crystallography Open Database

Information card for entry 7715310

Preview

Coordinates	7715310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 P Se
Calculated formula	C18 H23 P Se
SMILES	[Se]=P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].
Authors of publication	Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	12
Pages of publication	5711 - 5720
a	8.1648 ± 0.0017 Å
b	8.5743 ± 0.0016 Å
c	12.161 ± 0.002 Å
α	82.479 ± 0.005°
β	77.391 ± 0.005°
γ	89.456 ± 0.005°
Cell volume	823.5 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290977 (current)	2024-04-05	cif/ Updating files of 7715309, 7715310, 7715311, 7715312, 7715313, 7715314, 7715315, 7715316, 7715317, 7715318 Original log message: Adding full bibliography for 7715309--7715318.cif.	7715310.cif
290015	2024-03-01	cif/ Adding structures of 7715309, 7715310, 7715311, 7715312, 7715313, 7715314, 7715315, 7715316, 7715317, 7715318 via cif-deposit CGI script.	7715310.cif