Crystallography Open Database

Information card for entry 7707981

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Coordinates	7707981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H47 Cl P2 Ru
Calculated formula	C29 H47 Cl P2 Ru
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	13.4968 ± 0.0005 Å
b	17.6039 ± 0.0006 Å
c	12.2964 ± 0.0005 Å
α	90°
β	104.829 ± 0.002°
γ	90°
Cell volume	2824.27 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
268802 (current)	2021-09-06	cif/ Updating files of 7707980, 7707981, 7707982 Original log message: Adding full bibliography for 7707980--7707982.cif.	7707981.cif
268002	2021-08-10	cif/ Adding structures of 7707980, 7707981, 7707982 via cif-deposit CGI script.	7707981.cif