Crystallography Open Database

Information card for entry 7702728

Preview

Coordinates	7702728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H33 Ni P3 S5
Calculated formula	C45 H33 Ni P3 S5
Title of publication	Nickel dithiolene complexes as a source of a new family of S,S-dinegative chiral ligands R4btimdt = 5,5′-bis(1,3-dialkyl-4-imidazolidine-2-thione-4-thiolate)
Authors of publication	Bigoli, Francesco; Curreli, Simona; Deplano, Paola; Leoni, Laura; Mercuri, Maria Laura; Pellinghelli, Maria Angela; Serpe, Angela; Trogu, Emanuele F.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	9
Pages of publication	1985
a	9.541 ± 0.006 Å
b	21.873 ± 0.005 Å
c	19.73 ± 0.005 Å
α	90°
β	99.97 ± 0.02°
γ	90°
Cell volume	4055 ± 3 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	0.0709
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1715
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243989 (current)	2019-11-28	cif/ Adding structures of 7702726, 7702727, 7702728 via cif-deposit CGI script.	7702728.cif