Crystallography Open Database

Information card for entry 7249702

Preview

Coordinates	7249702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H38 Cu I N2 P2
Calculated formula	C41 H38 Cu I N2 P2
Title of publication	Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission
Authors of publication	Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	5
Pages of publication	661 - 667
a	13.8302 ± 0.0002 Å
b	12.6013 ± 0.0002 Å
c	22.4188 ± 0.0003 Å
α	90°
β	105.428 ± 0.001°
γ	90°
Cell volume	3766.32 ± 0.1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
298186 (current)	2025-03-04	cif/ Updating files of 7249699, 7249700, 7249701, 7249702 Original log message: Adding full bibliography for 7249699--7249702.cif.	7249702.cif
296897	2024-12-18	cif/ Adding structures of 7249699, 7249700, 7249701, 7249702 via cif-deposit CGI script.	7249702.cif