Information card for entry 4085367

Structure parameters

• Formula: C81 H117 Au3 Cl13 N3
• Calculated formula: C81 H117 Au3 Cl13 N3
• SMILES: [Au](=C1N(c2c(C(C)C)cccc2C(C)C)C(C)(C)CC21C1CC3CC(CC2C3)C1)(Cl)(Cl)Cl.[Au](Cl)(Cl)(Cl)[Cl-].[Au](Cl)(Cl)(Cl)[Cl-].ClC1=[N+](C(C)(CC21C1CC3CC(CC2C3)C1)C)c1c(cccc1C(C)C)C(C)C.ClC1C2(C3CC4CC2CC(C3)C4)CC([N+]=1c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.
• Authors of publication: Romanov, Alexander S.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2439 - 2454
• a: 25.5845 ± 0.0009 Å
• b: 17.7129 ± 0.0005 Å
• c: 18.9015 ± 0.0007 Å
• α: 90°
• β: 100.103 ± 0.003°
• γ: 90°
• Cell volume: 8432.9 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No