Crystallography Open Database

Information card for entry 7233446

Preview

Coordinates	7233446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H80 Cu4 I4 N4 P4
Calculated formula	C80 H80 Cu4 I4 N4 P4
SMILES	[I]12[Cu]3([I]4[Cu]2([I]2[Cu]1([I]3[Cu]42[P](c1ccc(cc1)N(C)C)(c1ccccc1)c1ccccc1)[P](c1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1)[P](c1ccc(cc1)N(C)C)(c1ccccc1)c1ccccc1)[P](c1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1
Title of publication	Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors
Authors of publication	Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	4339 - 4349
a	13.722 ± 0.003 Å
b	25.304 ± 0.006 Å
c	27.966 ± 0.007 Å
α	90°
β	98.81 ± 0.006°
γ	90°
Cell volume	9596 ± 4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1838
Weighted residual factors for all reflections included in the refinement	0.2097
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217716 (current)	2019-08-26	cif/ Adding structures of 7233446 via cif-deposit CGI script.	7233446.cif