Crystallography Open Database

Information card for entry 7241746

Preview

Coordinates	7241746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Cd N6 O S2
Calculated formula	C10 H22 Cd N6 O S2
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	9.7864 ± 0.0005 Å
b	10.9611 ± 0.0006 Å
c	16.022 ± 0.0008 Å
α	90°
β	102.095 ± 0.002°
γ	90°
Cell volume	1680.52 ± 0.15 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 2 K
Number of distinct elements	6
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	0.0209
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0452
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7241746.cif