Crystallography Open Database

Information card for entry 7045680

Preview

Coordinates	7045680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H60 Cu8 I2 N38 S6
Calculated formula	C42 H60 Cu8 I2 N38 S6
Title of publication	A luminescent supramolecular Cu<sub>2</sub>I<sub>2</sub>(NH<sub>3</sub>)<sub>2</sub>-sandwiched Cu<sub>3</sub>(pyrazolate)<sub>3</sub> adduct as a temperature sensor.
Authors of publication	Zhan, Shun-Ze; Jiang, Xia; Zheng, Ji; Huang, Xin-Da; Chen, Guang-Hui; Li, Dan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3679 - 3683
a	10.4769 ± 0.0004 Å
b	11.0875 ± 0.0004 Å
c	15.7405 ± 0.0006 Å
α	93.946 ± 0.003°
β	95.294 ± 0.003°
γ	91.41 ± 0.003°
Cell volume	1815.46 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0699
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
229995 (current)	2019-11-17	cif/ Updating files of 7045679, 7045680, 7045681 Original log message: Adding full bibliography for 7045679--7045681.cif.	7045680.cif
206570	2018-02-22	cif/ Adding structures of 7045679, 7045680, 7045681 via cif-deposit CGI script.	7045680.cif