Crystallography Open Database

Information card for entry 7048394

Preview

Coordinates	7048394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 Cu2 I2 N4 P2
Calculated formula	C48 H36 Cu2 I2 N4 P2
Title of publication	Highly luminescent copper(i) halide complexes chelated with a tetradentate ligand (PNNP): synthesis, structure, photophysical properties and theoretical studies.
Authors of publication	Jia, Ji-Hui; Chen, Xu-Lin; Liao, Jian-Zhen; Liang, Dong; Yang, Ming-Xue; Yu, Rongmin; Lu, Can-Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1418 - 1426
a	12.2493 ± 0.0004 Å
b	13.0962 ± 0.0006 Å
c	17.011 ± 0.0007 Å
α	107.746 ± 0.004°
β	92.742 ± 0.003°
γ	114.186 ± 0.004°
Cell volume	2323.6 ± 0.2 Å³
Cell temperature	100.01 ± 0.12 K
Ambient diffraction temperature	100.01 ± 0.12 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	0.0337
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224086 (current)	2019-11-07	cif/ Updating files of 7048393, 7048394 Original log message: Adding full bibliography for 7048393--7048394.cif.	7048394.cif
212699	2018-12-21	cif/ Adding structures of 7048393, 7048394 via cif-deposit CGI script.	7048394.cif