Crystallography Open Database

Information card for entry 7716726

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Coordinates	7716726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 Br Cl O2 Ru
Calculated formula	C23 H20 Br 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	9.2674 ± 0.0004 Å
b	13.0873 ± 0.0008 Å
c	16.9891 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2060.53 ± 0.19 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
294555 (current)	2024-09-06	cif/ Updating files of 7716726, 7716727, 7716728 Original log message: Adding full bibliography for 7716726--7716728.cif.	7716726.cif
293543	2024-07-26	cif/ Adding structures of 7716726, 7716727, 7716728 via cif-deposit CGI script.	7716726.cif