Crystallography Open Database

Information card for entry 4085528

Preview

Coordinates	4085528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H74 Cl4 P4 Ru2
Calculated formula	C92 H74 Cl4 P4 Ru2
Title of publication	Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions
Authors of publication	Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2395
a	8.8692 ± 0.0004 Å
b	12.6858 ± 0.0005 Å
c	17.6885 ± 0.0007 Å
α	90.247 ± 0.018°
β	96.49 ± 0.017°
γ	106.425 ± 0.017°
Cell volume	1895.4 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.1373
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1745
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085528.cif
154759	2015-09-06	cif/ Updating files of 4085524, 4085525, 4085526, 4085527, 4085528 Original log message: Adding full bibliography for 4085524--4085528.cif.	4085528.cif
131964	2015-02-18	cif/ Adding structures of 4085524, 4085525, 4085526, 4085527, 4085528 via cif-deposit CGI script.	4085528.cif