Information card for entry 4328172

Structure parameters

• Common name: [Au(MORTSC)(SCN)]
• Chemical name: (N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-morpholinecarbothioamide) benzamidineto)(thiocyanato)gold(III)
• Formula: C18 H23 Au N6 O S3
• Calculated formula: C18 H23 Au N6 O S3
• SMILES: [Au]12(SC(=NC(=[N]2N=C(S1)N1CCOCC1)c1ccccc1)N(CC)CC)SC#N
• Title of publication: Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands
• Authors of publication: Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1604 - 1613
• a: 11.833 ± 0.001 Å
• b: 8.2302 ± 0.0006 Å
• c: 22.484 ± 0.002 Å
• α: 90°
• β: 95.41 ± 0.01°
• γ: 90°
• Cell volume: 2179.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No