Crystallography Open Database

Information card for entry 7123172

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Structure parameters

Formula	C9 H6 Cl3 Cu3 N6
Calculated formula	C9 H6 Cl3 Cu3 N6
Title of publication	A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit
Authors of publication	Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang
Journal of publication	Chemical Communications
Year of publication	2019
a	17.5436 ± 0.0011 Å
b	8.6121 ± 0.0006 Å
c	19.0546 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2878.9 ± 0.3 Å³
Cell temperature	300 ± 1 K
Ambient diffraction temperature	300 ± 1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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