Crystallography Open Database

Information card for entry 1515585

Preview

Coordinates	1515585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 B Cu F4 N5 P
Calculated formula	C38 H34 B Cu F4 N5 P
SMILES	[F-][B](F)(F)F.Cc1cc(C)c2c(n1)[n]1c(cc2)Nc2[n]([Cu]1[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1nc(C)cc(c1cc2)C
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	8.485 ± 0.002 Å
b	13.769 ± 0.002 Å
c	15.231 ± 0.003 Å
α	91.11 ± 0.002°
β	100.453 ± 0.003°
γ	91.01 ± 0.002°
Cell volume	1749.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1515585.cif
111873	2014-04-28	cif/ Adding structures of 1515583, 1515584, 1515585 via cif-deposit CGI script.	1515585.cif