Crystallography Open Database

Information card for entry 1560447

Preview

Coordinates	1560447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Cu I N4
Calculated formula	C18 H14 Cu I N4
Title of publication	New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property
Authors of publication	Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	251
Pages of publication	176 - 185
a	10.0197 ± 0.0008 Å
b	7.6791 ± 0.0006 Å
c	22.4578 ± 0.0018 Å
α	90°
β	101.735 ± 0.003°
γ	90°
Cell volume	1691.8 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
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	0.0492
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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