Crystallography Open Database

Information card for entry 7715315

Preview

Coordinates	7715315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H84 K2 O4 P2 S2
Calculated formula	C56 H84 K2 O4 P2 S2
SMILES	[K+].[S-]P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCCC1.O1CCCCC1
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	13.439 ± 0.0015 Å
b	13.7423 ± 0.0014 Å
c	17.2067 ± 0.0019 Å
α	92.241 ± 0.003°
β	108.058 ± 0.003°
γ	108.624 ± 0.003°
Cell volume	2829.2 ± 0.5 Å³
Cell temperature	117 ± 2 K
Ambient diffraction temperature	117 ± 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	0.1413
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7715315.cif
290015	2024-03-01	cif/ Adding structures of 7715309, 7715310, 7715311, 7715312, 7715313, 7715314, 7715315, 7715316, 7715317, 7715318 via cif-deposit CGI script.	7715315.cif