Crystallography Open Database

Information card for entry 4337839

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Coordinates	4337839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Au Cl N2
Calculated formula	C8 H14 Au Cl N2
SMILES	[Au](Cl)=C1N(C=CN1C)CCCC
Title of publication	Chemistry and biology of two novel gold(i) carbene complexes as prospective anticancer agents.
Authors of publication	Messori, Luigi; Marchetti, Lorella; Massai, Lara; Scaletti, Federica; Guerri, Annalisa; Landini, Ida; Nobili, Stefania; Perrone, Gabriele; Mini, Enrico; Leoni, Piero; Pasquali, Marco; Gabbiani, Chiara
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2396 - 2403
a	8.2009 ± 0.0006 Å
b	10.6215 ± 0.0007 Å
c	12.1355 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1057.07 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation probe	x-ray
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
179481 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/78.	4337839.cif
107753	2014-03-22	cif/ Adding structures of 4337839 via cif-deposit CGI script.	4337839.cif