Crystallography Open Database

Information card for entry 7249652

Preview

Coordinates	7249652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 Cu I3 N4
Calculated formula	C10 H18 Cu I3 N4
SMILES	I[Cu]([I-])[I-].n1(c[n+](cc1)C)C.n1(c[n+](cc1)C)C
Title of publication	Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures
Authors of publication	Han, Jiali; Zhu, Shujun; Chen, Xinxin; Zhou, Haichao; Pan, Jianguo; Pan, Shangke
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	1
Pages of publication	38 - 45
a	8.1644 ± 0.001 Å
b	14.9055 ± 0.0016 Å
c	15.8041 ± 0.0018 Å
α	90°
β	103.034 ± 0.004°
γ	90°
Cell volume	1873.7 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
298174 (current)	2025-03-04	cif/ Updating files of 7249652 Original log message: Adding full bibliography for 7249652.cif.	7249652.cif
296171	2024-11-30	cif/ Adding structures of 7249652 via cif-deposit CGI script.	7249652.cif