Crystallography Open Database

Information card for entry 7057191

Preview

Coordinates	7057191.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-RT
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	9.3659 ± 0.0003 Å
b	9.8423 ± 0.0002 Å
c	16.7265 ± 0.0004 Å
α	90°
β	102.865 ± 0.003°
γ	90°
Cell volume	1503.18 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0332
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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