Crystallography Open Database

Information card for entry 7054566

Preview

Coordinates	7054566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Br Cl2 Cu N6
Calculated formula	C30 H32 Br Cl2 Cu N6
SMILES	Cc1cc(C)n2CN3c4cccc5c4c(ccc5)N(C3c3ccccc3)Cn3c(C)cc(C)[n]3[Cu]([n]12)Br.C(Cl)Cl
Title of publication	Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes
Authors of publication	Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	2
Pages of publication	1260
a	13.3142 ± 0.0003 Å
b	15.6092 ± 0.0003 Å
c	14.3394 ± 0.0004 Å
α	90°
β	98.779 ± 0.001°
γ	90°
Cell volume	2945.16 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
180099 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45.	7054566.cif
131093	2015-02-04	cif/ Updating files of 7054566, 7054567, 7054568 Original log message: Adding full bibliography for 7054566--7054568.cif.	7054566.cif
127965	2014-11-28	cif/ Adding structures of 7054566, 7054567, 7054568 via cif-deposit CGI script.	7054566.cif