Crystallography Open Database

Information card for entry 7241747

Preview

Coordinates	7241747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H52 Cd3 N18 S6
Calculated formula	C28 H52 Cd3 N18 S6
Title of publication	On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems
Authors of publication	Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	46
Pages of publication	8023 - 8035
a	14.6814 ± 0.0003 Å
b	17.4409 ± 0.0004 Å
c	17.6486 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4519.04 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0347
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259734 (current)	2020-12-10	cif/ Adding structures of 7241745, 7241746, 7241747 via cif-deposit CGI script.	7241747.cif