Crystallography Open Database

Information card for entry 7233445

Preview

Coordinates	7233445.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(cc1)N(C)C)(c1ccccc1)c1ccccc1)[P](c1ccc(N(C)C)cc1)(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	15.4577 ± 0.0003 Å
b	15.5354 ± 0.0004 Å
c	17.0827 ± 0.0004 Å
α	88.465 ± 0.002°
β	85.427 ± 0.002°
γ	81.285 ± 0.002°
Cell volume	4041.54 ± 0.16 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	260 ± 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	0.0375
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
217715 (current)	2019-08-26	cif/ Adding structures of 7233445 via cif-deposit CGI script.	7233445.cif