Crystallography Open Database

Information card for entry 7712256

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Coordinates	7712256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 Cu2 I2 N O S
Calculated formula	C7 H9 Cu2 I2 N O S
Title of publication	A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation
Authors of publication	Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.7476 ± 0.0004 Å
b	9.7854 ± 0.0003 Å
c	13.1877 ± 0.0005 Å
α	90°
β	102.066 ± 0.004°
γ	90°
Cell volume	1230.11 ± 0.08 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
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	0.0318
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
280774 (current)	2023-02-03	cif/ Adding structures of 7712256, 7712257, 7712258, 7712259, 7712260, 7712261, 7712262, 7712263, 7712264, 7712265, 7712266, 7712267 via cif-deposit CGI script.	7712256.cif