Crystallography Open Database

Information card for entry 7044954

Preview

Coordinates	7044954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Au I9 N10
Calculated formula	C22 H30 Au I9 N10
SMILES	C12N(C)C=CN1CN1C=CN(C)C1=[Au]1=2=C2N(C)C=CN2CN2C=CN(C)C=12.C(#N)C.C(#N)C.I[I-]I.I[I-]I.I[I-]I
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	21.3052 ± 0.0016 Å
b	14.9146 ± 0.0011 Å
c	27.057 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8597.6 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1031
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
230079 (current)	2019-11-17	cif/ Updating files of 7044952, 7044953, 7044954 Original log message: Adding full bibliography for 7044952--7044954.cif.	7044954.cif
204014	2017-12-06	cif/ Adding structures of 7044952, 7044953, 7044954 via cif-deposit CGI script.	7044954.cif