Crystallography Open Database

Information card for entry 2023087

2023086 << 2023087 >> 2023088

Preview

Coordinates	2023087.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tribromido(4-methylpiperidine)gold(III)
Formula	C6 H13 Au Br3 N
Calculated formula	C6 H13 Au Br3 N
SMILES	[Au](Br)(Br)(Br)[NH]1CCC(CC1)C
Title of publication	Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)
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	5
a	12.6471 ± 0.0005 Å
b	8.7247 ± 0.0003 Å
c	21.0262 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2320.08 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0388
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
291289 (current)	2024-04-19	cif/ Adding structures of 2023085, 2023086, 2023087 via cif-deposit CGI script.	2023087.cif