Crystallography Open Database

Information card for entry 7714839

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Coordinates	7714839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H86 P4 Ru2
Calculated formula	C56 H86 P4 Ru2
SMILES	[RuH]1234([H][RuH]562([H]1)[P](c1c2c(ccc1)C(c1c(c([P]5(C(C)C)C(C)C)ccc1)C62)(C)C)(C(C)C)C(C)C)[P](c1c2c(ccc1)C(c1c(c([P]3(C(C)C)C(C)C)ccc1)C42)(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	10.9417 ± 0.0007 Å
b	14.5639 ± 0.0011 Å
c	17.1311 ± 0.001 Å
α	106.789 ± 0.004°
β	90.328 ± 0.004°
γ	91.71 ± 0.005°
Cell volume	2612.1 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.1968
Weighted residual factors for all reflections included in the refinement	0.2073
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7714839.cif
288553	2023-12-27	cif/ Adding structures of 7714837, 7714838, 7714839, 7714840, 7714841, 7714842, 7714843, 7714844 via cif-deposit CGI script.	7714839.cif