Crystallography Open Database

Information card for entry 1515584

Preview

Coordinates	1515584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H84 B2 Cl4 Cu4 F8 N10 P4
Calculated formula	C92 H84 B2 Cl4 Cu4 F8 N10 P4
SMILES	[Cu]123[Cu]45([Cu]678[Cu]([P](C[P]6(c6ccccc6)c6ccccc6)(c6ccccc6)c6ccccc6)([n]6c9nc(cc(c9ccc6N7c6[n]5c5[n]3c(cc(c5cc6)C)C)C)C)[n]3c5[n]8c(N4c4[n]2c2nc(cc(c2cc4)C)C)ccc5c(cc3C)C)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement
Authors of publication	Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	8
Pages of publication	1509
a	12.238 ± 0.002 Å
b	18.531 ± 0.003 Å
c	20.929 ± 0.003 Å
α	90°
β	103.246 ± 0.003°
γ	90°
Cell volume	4620.1 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
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	0.1001
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515584.cif
111873	2014-04-28	cif/ Adding structures of 1515583, 1515584, 1515585 via cif-deposit CGI script.	1515584.cif