Crystallography Open Database

Information card for entry 7716295

Preview

Coordinates	7716295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.3 H65.8 Cl2.8 N O2.6 P2 Ru
Calculated formula	C65.3 H65.8 Cl2.8 N O2.6 P2 Ru
Title of publication	Arene displacement, C-H activation and acetonitrile insertion reactions enabled by coordination of a functionalized iminophosphorane to a Ru<sup>II</sup>-<i>p</i>-cymene scaffold.
Authors of publication	Gourkhede, Rani; Kaur, Bhupinder; Kote, Basvaraj S.; Balakrishna, Maravanji S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	25
Pages of publication	10693 - 10703
a	13.1607 ± 0.0002 Å
b	13.4638 ± 0.0003 Å
c	18.5572 ± 0.0003 Å
α	74.144 ± 0.002°
β	70.026 ± 0.002°
γ	67.7 ± 0.002°
Cell volume	2820.02 ± 0.1 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
293075 (current)	2024-07-05	cif/ Updating files of 7716295, 7716296, 7716297, 7716298 Original log message: Adding full bibliography for 7716295--7716298.cif.	7716295.cif
292188	2024-06-05	cif/ Adding structures of 7716295, 7716296, 7716297, 7716298 via cif-deposit CGI script.	7716295.cif