Crystallography Open Database

Information card for entry 7245567

Preview

Coordinates	7245567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H34 Ag N9 P2
Calculated formula	C43 H34 Ag N9 P2
SMILES	[Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)n2nnnc2c2[n]1ccc(c2)c1[nH]nnn1
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	19.2853 ± 0.0009 Å
b	10.8239 ± 0.0004 Å
c	19.3211 ± 0.0008 Å
α	90°
β	92.111 ± 0.004°
γ	90°
Cell volume	4030.4 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.116
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
278204 (current)	2022-09-27	cif/ Adding structures of 7245566, 7245567 via cif-deposit CGI script.	7245567.cif