Information card for entry 4338570

Structure parameters

• Common name: [Au{c(NHCH3)(NHCH2CH2NH2)}2]Cl
• Formula: C8 H22 Au Cl N6
• Calculated formula: C8 H22 Au Cl N6
• SMILES: CNC(NCCN)=[Au]=C(NC)NCCN.[Cl-]
• Title of publication: Blue-, Green- and Non-luminescent Crystals from One Reaction. Isolation and Structural Characterization of a Series of Gold(I)-Siver(I) Heterometallic Complexes Utilizing a Gold Carbene Metalloligand Containing Free Amino Groups
• Authors of publication: Rios, Daniel; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5279 - 5287
• a: 15.2281 ± 0.0002 Å
• b: 15.2281 ± 0.0002 Å
• c: 25.0483 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5808.58 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No