Crystallography Open Database

Information card for entry 7245566

Preview

Coordinates	7245566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.76 H7.72 Cu0.24 N2.12 P0.47
Calculated formula	C9.76471 H7.71765 Cu0.235294 N2.11765 P0.470588
Title of publication	Effect of the dangling aromatic ring on neutral luminescent bis(phosphine) Cu(i)/Ag(i) complexes with the asymmetric pyridyl-tetrazolate ligands
Authors of publication	Xiang, Jing; Wang, Li-Xin; Zhang, Xu; Zhu, De-Sheng; Wang, Lei; Liu, Lu-Lu; Leung, Chi-Fai; Xiang, Jing
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	42
Pages of publication	27267 - 27274
a	18.9696 ± 0.0002 Å
b	10.5128 ± 0.0001 Å
c	19.2832 ± 0.0002 Å
α	90°
β	89.986 ± 0.001°
γ	90°
Cell volume	3845.53 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2221
Weighted residual factors for all reflections included in the refinement	0.2266
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278204 (current)	2022-09-27	cif/ Adding structures of 7245566, 7245567 via cif-deposit CGI script.	7245566.cif