Crystallography Open Database

Information card for entry 7715669

Preview

Coordinates	7715669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H58 Cl N5 O2 P2 Ru
Calculated formula	C61 H58 Cl N5 O2 P2 Ru
Title of publication	Protic- or anionic-NHCs with a classical-NHC in a single [Ru(CNC)(PPh<sub>3</sub>)<sub>2</sub>Cl]Cl pincer complex: direct comparison of structure & electronic properties and heterolytic H<sub>2</sub> splitting.
Authors of publication	Srivastava, Navdeep; Singh, Amrendra K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	16
Pages of publication	6870 - 6874
a	13.1379 ± 0.0004 Å
b	24.4204 ± 0.0006 Å
c	17.1734 ± 0.0003 Å
α	90°
β	93.432 ± 0.002°
γ	90°
Cell volume	5499.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
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
291637 (current)	2024-05-05	cif/ Updating files of 7715668, 7715669, 7715670, 7715671 Original log message: Adding full bibliography for 7715668--7715671.cif.	7715669.cif
290863	2024-04-05	cif/ Adding structures of 7715668, 7715669, 7715670, 7715671 via cif-deposit CGI script.	7715669.cif