Crystallography Open Database

Information card for entry 1521280

Preview

Coordinates	1521280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H96 Cl5 N P4 Pd Ru
Calculated formula	C73 H96 Cl5 N P4 Pd Ru
SMILES	[Pd](Cl)(Cl)(Cl)C#[Ru](Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Carbide complexes as π-acceptor ligands
Authors of publication	Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5815
a	11.5671 ± 0.0014 Å
b	13.5147 ± 0.0013 Å
c	24.091 ± 0.003 Å
α	76.202 ± 0.004°
β	88.744 ± 0.004°
γ	72.724 ± 0.004°
Cell volume	3487.5 ± 0.7 Å³
Cell temperature	122.4 K
Ambient diffraction temperature	122.4 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0861
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
170949 (current)	2015-12-09	cif/ Updating files of 1521279, 1521280, 1521281, 1521282, 1521283, 1521284, 1521285, 1521286, 1521287, 1521288, 1521289, 1521290 Original log message: Adding full bibliography for 1521279--1521290.cif.	1521280.cif
141002	2015-07-08	cif/ Adding structures of 1521279, 1521280, 1521281, 1521282, 1521283, 1521284, 1521285, 1521286, 1521287, 1521288, 1521289, 1521290 via cif-deposit CGI script.	1521280.cif