Information card for entry 1540542

Structure parameters

• Formula: C58 H94 Au B F4 N2 O3
• Calculated formula: C58 H94 Au B F4 N2 O3
• SMILES: [Au](=C=C=C1N(C(CC1(CC)CC)(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(CC1(CC)CC)(C)C)c1c(cccc1C(C)C)C(C)C.[B](F)(F)(F)[F-].O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes
• Authors of publication: Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 150
• a: 12.4983 ± 0.0008 Å
• b: 12.6057 ± 0.0009 Å
• c: 18.1384 ± 0.0012 Å
• α: 98.507 ± 0.002°
• β: 92.517 ± 0.0019°
• γ: 95.084 ± 0.0019°
• Cell volume: 2810.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No