Crystallography Open Database

Information card for entry 7062181

Preview

Coordinates	7062181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Cu2 F2 I4 N4
Calculated formula	C16 H32 Cu2 F2 I4 N4
SMILES	[I]1[Cu]2([I][Cu]12(I)[N]12CC[N+](CC1)(CC2)CCF)(I)[N]12CC[N+](CC2)(CC1)CCF
Title of publication	Systematic regulation of ligands realizes the transition of luminescence color cuprous iodide inorganic–organic hybrid materials from blue to green light
Authors of publication	Shao, Juan-Juan; Ni, Jian-Ling; Chen, Wei-Min; Liu, Peng-Lai; Mensah, Abraham; Chen, Li-Zhuang; Wang, Fang-Ming
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	5
Pages of publication	2556 - 2564
a	7.4735 ± 0.0008 Å
b	8.6042 ± 0.0011 Å
c	10.7737 ± 0.0011 Å
α	80.277 ± 0.002°
β	83.715 ± 0.002°
γ	75.29 ± 0.002°
Cell volume	658.84 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
281509 (current)	2023-03-04	cif/ Updating files of 7062180, 7062181, 7062182, 7062183 Original log message: Adding full bibliography for 7062180--7062183.cif.	7062181.cif
280053	2022-12-28	cif/ Adding structures of 7062180, 7062181, 7062182, 7062183 via cif-deposit CGI script.	7062181.cif