Crystallography Open Database

Information card for entry 2023171

2023170 << 2023171 >> 2023172

Preview

Coordinates	2023171.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Bromopyridinium dibromidoaurate(I)–2-bromopyridine (1/1)
Formula	C10 H9 Au Br4 N2
Calculated formula	C10 H9 Au Br4 N2
SMILES	[Au](Br)[Br-].Brc1[nH+]cccc1.Brc1ncccc1
Title of publication	Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).
Authors of publication	Döring, Cindy; Jones, Peter G.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 7
Pages of publication	729 - 737
a	7.9931 ± 0.0004 Å
b	8.4672 ± 0.0003 Å
c	11.3923 ± 0.0005 Å
α	87.202 ± 0.004°
β	74.635 ± 0.004°
γ	81.406 ± 0.004°
Cell volume	735.08 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
293998 (current)	2024-08-07	cif/ Updating files of 2023167, 2023168, 2023169, 2023170, 2023171 Original log message: Adding full bibliography for 2023167--2023171.cif.	2023171.cif
292461	2024-06-19	cif/ Adding structures of 2023167, 2023168, 2023169, 2023170, 2023171 via cif-deposit CGI script.	2023171.cif