Crystallography Open Database

Information card for entry 7057189

Preview

Coordinates	7057189.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-LT
Formula	C20 H16 Cu4 F6 I4 N6
Calculated formula	C20 H16 Cu4 F6 I4 N6
Title of publication	Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters
Authors of publication	Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8426
a	9.2037 ± 0.0007 Å
b	9.8345 ± 0.0005 Å
c	16.6471 ± 0.0009 Å
α	90°
β	103.656 ± 0.006°
γ	90°
Cell volume	1464.2 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0622
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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