Crystallography Open Database

Information card for entry 7042992

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Structure parameters

Formula	C26 H28 Cl4 O6 P2 S6
Calculated formula	C26 H28 Cl4 O6 P2 S6
SMILES	P1(Sc2cc(c(cc2S1)OC)OC)Sc1cc(c(cc1SP1Sc2cc(c(cc2S1)OC)OC)OC)OC.C(Cl)Cl.C(Cl)Cl
Title of publication	Synthesis of Bis(trithio)phosphines by Oxidative Transfer of Phosphorus(I)
Authors of publication	Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Rawson, Jeremy Michael; Macdonald, Charles L. B.
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.0951 ± 0.0003 Å
b	25.1596 ± 0.0008 Å
c	14.0295 ± 0.0004 Å
α	90°
β	103.658 ± 0.001°
γ	90°
Cell volume	3462.57 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0563
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7042992.cif
196731	2017-05-18	cif/ Adding structures of 7042991, 7042992, 7042993 via cif-deposit CGI script.	7042992.cif