Crystallography Open Database

Information card for entry 7247395

Preview

Coordinates	7247395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 Br2 Cu2 I4 N4
Calculated formula	C26 H36 Br2 Cu2 I4 N4
Title of publication	Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand
Authors of publication	Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	40
Pages of publication	5722 - 5729
a	16.3175 ± 0.0004 Å
b	16.9139 ± 0.0005 Å
c	12.8313 ± 0.0003 Å
α	90°
β	107.318 ± 0.002°
γ	90°
Cell volume	3380.8 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1205
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	0.674
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
287349 (current)	2023-11-06	cif/ Updating files of 7247393, 7247394, 7247395, 7247396, 7247397 Original log message: Adding full bibliography for 7247393--7247397.cif.	7247395.cif
286344	2023-09-15	cif/ Adding structures of 7247393, 7247394, 7247395, 7247396, 7247397 via cif-deposit CGI script.	7247395.cif