Crystallography Open Database

Information card for entry 7057192

Preview

Coordinates	7057192.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3
Formula	C30 H26 Cu4 I4 N6
Calculated formula	C30 H26 Cu4 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	23.146 ± 0.003 Å
b	18.2397 ± 0.0018 Å
c	9.1304 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3854.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1714
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.2097
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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