Crystallography Open Database

Information card for entry 7234109

Preview

Coordinates	7234109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H60 Br2 Cu N4 O2
Calculated formula	C66 H60 Br2 Cu N4 O2
Title of publication	Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics
Authors of publication	Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	1994 - 2002
a	10.454 ± 0.0019 Å
b	15.812 ± 0.003 Å
c	18.477 ± 0.003 Å
α	90.856 ± 0.002°
β	91.575 ± 0.002°
γ	96.166 ± 0.002°
Cell volume	3034.9 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.095
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	0.879
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
218776 (current)	2019-09-24	cif/ Adding structures of 7234109 via cif-deposit CGI script.	7234109.cif