Crystallography Open Database

Information card for entry 7233444

Preview

Coordinates	7233444.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(N(C)C)cc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccc(N(C)C)cc1)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	15.4242 ± 0.0003 Å
b	15.5207 ± 0.0004 Å
c	17.0532 ± 0.0004 Å
α	88.46 ± 0.002°
β	85.455 ± 0.002°
γ	81.274 ± 0.002°
Cell volume	4022.04 ± 0.16 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217714 (current)	2019-08-26	cif/ Adding structures of 7233444 via cif-deposit CGI script.	7233444.cif