Crystallography Open Database

Information card for entry 7044953

Preview

Coordinates	7044953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Au Br3 I2 N8
Calculated formula	C18 H24 Au Br3 I2 N8
SMILES	C12N(C=CN1C)CN1C(=[Au]3=2=C2N(C=CN2C)CN2C=3N(C=C2)C)N(C=C1)C.II.[Br-].[Br-].[Br-]
Title of publication	A square planar gold(iii) bis-(1,1'-dimethyl-3,3'-methylene-diimidazol-2,2'-diylidene) trication as an efficient and selective receptor towards halogen anions: the cooperative effect of AuX and XHC interactions.
Authors of publication	Baron, Marco; Dall'Anese, Anna; Tubaro, Cristina; Orian, Laura; Di Marco, Valerio; Bogialli, Sara; Graiff, Claudia; Basato, Marino
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	3
Pages of publication	935 - 945
a	12.0405 ± 0.0008 Å
b	11.2536 ± 0.0008 Å
c	10.3517 ± 0.0007 Å
α	90°
β	104.686 ± 0.007°
γ	90°
Cell volume	1356.82 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.7 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230079 (current)	2019-11-17	cif/ Updating files of 7044952, 7044953, 7044954 Original log message: Adding full bibliography for 7044952--7044954.cif.	7044953.cif
204014	2017-12-06	cif/ Adding structures of 7044952, 7044953, 7044954 via cif-deposit CGI script.	7044953.cif