Crystallography Open Database

Information card for entry 7233440

Preview

Coordinates	7233440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H83 Cu4 I4 N5 P4
Calculated formula	C82 H83 Cu4 I4 N5 P4
SMILES	[I]12[Cu]3([I]4[Cu]5([I]3[Cu]2([I]5[Cu]14[P](c1ccccc1)(c1ccc(N(C)C)cc1)c1ccccc1)[P](c1ccc(cc1)N(C)C)(c1ccccc1)c1ccccc1)[P](c1ccc(cc1)N(C)C)(c1ccccc1)c1ccccc1)[P](c1ccc(cc1)N(C)C)(c1ccccc1)c1ccccc1.CC#N
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	15.3088 ± 0.0005 Å
b	15.5278 ± 0.0007 Å
c	16.9897 ± 0.0008 Å
α	89.042 ± 0.005°
β	85.531 ± 0.006°
γ	81.924 ± 0.004°
Cell volume	3986.4 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0508
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
217710 (current)	2019-08-26	cif/ Adding structures of 7233440 via cif-deposit CGI script.	7233440.cif