Crystallography Open Database

Information card for entry 7716728

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Coordinates	7716728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 Cl O2 Ru
Calculated formula	C29 H25 Cl O2 Ru
Title of publication	Phenalenyl-ruthenium synergism for effectual catalytic transformations of primary amines to amides.
Authors of publication	Bandopadhyay, Nilaj; Paramanik, Krishnendu; Sarkar, Gayetri; Roy, Suvojit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	33
Pages of publication	13795 - 13804
a	12.7749 ± 0.0004 Å
b	10.758 ± 0.0003 Å
c	16.9453 ± 0.0005 Å
α	90°
β	101.721 ± 0.003°
γ	90°
Cell volume	2280.27 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0301
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294555 (current)	2024-09-06	cif/ Updating files of 7716726, 7716727, 7716728 Original log message: Adding full bibliography for 7716726--7716728.cif.	7716728.cif
293543	2024-07-26	cif/ Adding structures of 7716726, 7716727, 7716728 via cif-deposit CGI script.	7716728.cif