Crystallography Open Database

Information card for entry 7057188

Preview

Coordinates	7057188.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1
Formula	C28 H37 Cu4 I4 N7
Calculated formula	C28 H37 Cu4 I4 N7
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	15.6308 ± 0.001 Å
b	11.7536 ± 0.0008 Å
c	21.0207 ± 0.0014 Å
α	90°
β	92.486 ± 0.006°
γ	90°
Cell volume	3858.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1853
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2375
Weighted residual factors for all reflections included in the refinement	0.296
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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