Crystallography Open Database

Information card for entry 7246178

Preview

Coordinates	7246178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Al N2 O P Se
Calculated formula	C20 H28 Al N2 O P Se
SMILES	P(c1ccccc1)(c1ccccc1)(N1[Al]([N]2(CC1)CCOCC2)(C)C)=[Se]
Title of publication	A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones
Authors of publication	Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	5
Pages of publication	3020 - 3032
a	7.6068 ± 0.0002 Å
b	19.9624 ± 0.0007 Å
c	14.6284 ± 0.0005 Å
α	90°
β	91.245 ± 0.003°
γ	90°
Cell volume	2220.8 ± 0.12 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	0.053
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
280455 (current)	2023-01-20	cif/ Adding structures of 7246176, 7246177, 7246178, 7246179 via cif-deposit CGI script.	7246178.cif