Crystallography Open Database

Information card for entry 7714247

Preview

Coordinates	7714247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H58 Li N3 O
Calculated formula	C53 H58 Li N3 O
SMILES	[N]1(=C(c2ccccc2)c2ccccc2)c2cc(C(C)(C)C)cc3C(c4cc(C(C)(C)C)cc5[N](=C(c6ccccc6)c6ccccc6)[Li]1([O](CC)CC)N(c23)c45)(C)C
Title of publication	Utilizing Bis(imino)dihydroacridanide Pincer Ligands in p-Block Chemistry: Synthesis and Catalysis of an Antimony Monocation Salt
Authors of publication	Lan, Xiaofang; Zhang, Xin; Mei, Yanbo; Hu, Chaopeng; Liu, Liu Leo
Journal of publication	Dalton Transactions
Year of publication	2023
a	12.0383 ± 0.0005 Å
b	13.7852 ± 0.0006 Å
c	14.1852 ± 0.0006 Å
α	87.949 ± 0.002°
β	69.745 ± 0.002°
γ	81.798 ± 0.002°
Cell volume	2185.64 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287023 (current)	2023-10-19	cif/ Adding structures of 7714246, 7714247, 7714248, 7714249, 7714250 via cif-deposit CGI script.	7714247.cif