Crystallography Open Database

Information card for entry 2023133

2023132 << 2023133 >> 2023134

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Coordinates	2023133.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4,4'-(Disulfanediyl)dipyridinium chloride triiodide
Formula	C10 H10 Cl I3 N2 S2
Calculated formula	C10 H10 Cl I3 N2 S2
Title of publication	Crystal structure of 4,4′-(disulfanediyl)dipyridinium chloride triiodide
Authors of publication	Podda, Enrico; Aragoni, M. Carla; Caltagirone, Claudia; De Filippo, Greta; Garau, Alessandra; Lippolis, Vito; Mancini, Annalisa; Pintus, Anna; Orton, James B.; Coles, Simon J.; Arca, Massimiliano
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	6
a	12.9631 ± 0.0011 Å
b	11.3802 ± 0.0005 Å
c	13.1675 ± 0.0011 Å
α	90°
β	117.624 ± 0.006°
γ	90°
Cell volume	1721.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291978 (current)	2024-05-22	cif/ Adding structures of 2023133 via cif-deposit CGI script.	2023133.cif