Crystallography Open Database

Information card for entry 7241545

Preview

Coordinates	7241545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Cu2 I2 N2 S2
Calculated formula	C28 H22 Cu2 I2 N2 S2
Title of publication	Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
Authors of publication	Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	299 - 307
a	19.2485 ± 0.0011 Å
b	16.5225 ± 0.0008 Å
c	21.3838 ± 0.0011 Å
α	90°
β	114.655 ± 0.004°
γ	90°
Cell volume	6180.8 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
261621 (current)	2021-02-05	cif/ Updating files of 7241541, 7241542, 7241543, 7241544, 7241545, 7241546, 7241547, 7241548, 7241549, 7241550 Original log message: Adding full bibliography for 7241541--7241550.cif.	7241545.cif
259310	2020-11-29	cif/ Adding structures of 7241541, 7241542, 7241543, 7241544, 7241545, 7241546, 7241547, 7241548, 7241549, 7241550 via cif-deposit CGI script.	7241545.cif