Crystallography Open Database

Information card for entry 7714838

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Coordinates	7714838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Cl P2 Ru
Calculated formula	C28 H40 Cl P2 Ru
SMILES	[Ru]12(Cl)[P](c3cccc4c3C=2c2c(C4(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
Title of publication	Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.
Authors of publication	Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1862 - 1869
a	9.0549 ± 0.0005 Å
b	17.2496 ± 0.0009 Å
c	17.9774 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2808 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1805
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289496 (current)	2024-02-04	cif/ Updating files of 7714837, 7714838, 7714839, 7714840, 7714841, 7714842, 7714843, 7714844 Original log message: Adding full bibliography for 7714837--7714844.cif.	7714838.cif
288553	2023-12-27	cif/ Adding structures of 7714837, 7714838, 7714839, 7714840, 7714841, 7714842, 7714843, 7714844 via cif-deposit CGI script.	7714838.cif