Crystallography Open Database

Information card for entry 7707980

Preview

Coordinates	7707980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H53 Cl P2 Ru
Calculated formula	C29 H53 Cl P2 Ru
SMILES	[RuH2]12([P](C[C@@H]3[C@@H]2[C@@H](Cc2c(cccc2)C3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)Cl
Title of publication	Carbocyclic pincer carbene complexes of ruthenium: syntheses and reversible hydrogenation.
Authors of publication	Wiedmaier, Nicholas R.; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	34
Pages of publication	11814 - 11820
a	8.3945 ± 0.0002 Å
b	21.4072 ± 0.0005 Å
c	16.9249 ± 0.0004 Å
α	90°
β	95.588 ± 0.001°
γ	90°
Cell volume	3027 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
268802 (current)	2021-09-06	cif/ Updating files of 7707980, 7707981, 7707982 Original log message: Adding full bibliography for 7707980--7707982.cif.	7707980.cif
268002	2021-08-10	cif/ Adding structures of 7707980, 7707981, 7707982 via cif-deposit CGI script.	7707980.cif