Crystallography Open Database

Information card for entry 1560301

Preview

Coordinates	1560301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H124 N2 P8 Ru2 S
Calculated formula	C144 H124 N2 P8 Ru2 S
Title of publication	Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction
Authors of publication	Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	12
Pages of publication	4338 - 4344
a	25.3115 ± 0.0007 Å
b	44.5483 ± 0.0014 Å
c	10.235 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	11540.8 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
263716 (current)	2021-04-05	cif/ Updating files of 1560301, 1560302, 1560303 Original log message: Adding full bibliography for 1560301--1560303.cif.	1560301.cif
261863	2021-02-10	cif/ Adding structures of 1560301, 1560302, 1560303 via cif-deposit CGI script.	1560301.cif