Crystallography Open Database

Information card for entry 7241630

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Coordinates	7241630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 P4 Ru S2
Calculated formula	C64 H54 P4 Ru S2
Title of publication	Synthesis and charge transfer characteristics of a ruthenium‒acetylide complex
Authors of publication	Kuhrt, Robert; Ho, Po-Yuen; Hantusch, Martin; Lissel, Franziska; Blacque, Olivier; Knupfer, Martin; Büchner, Bernd
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	70
Pages of publication	43242 - 43247
a	9.46352 ± 0.00014 Å
b	12.66738 ± 0.00018 Å
c	12.98267 ± 0.00014 Å
α	116.784 ± 0.0013°
β	100.583 ± 0.0012°
γ	98.7407 ± 0.0012°
Cell volume	1315.96 ± 0.04 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259348 (current)	2020-11-30	cif/ Adding structures of 7241630 via cif-deposit CGI script.	7241630.cif