Crystallography Open Database

Information card for entry 7716727

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Coordinates	7716727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Cl O2 Ru
Calculated formula	C23 H21 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	10.7306 ± 0.0001 Å
b	14.7096 ± 0.0001 Å
c	12.8533 ± 0.0001 Å
α	90°
β	105.416 ± 0.001°
γ	90°
Cell volume	1955.81 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0687
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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.	7716727.cif
293543	2024-07-26	cif/ Adding structures of 7716726, 7716727, 7716728 via cif-deposit CGI script.	7716727.cif