Information card for entry 1540544

Structure parameters

• Formula: C50 H74 Au B Cl4 F4 N2
• Calculated formula: C50 H74 Au B Cl4 F4 N2
• SMILES: [Au](=C=C=C1N(C(CC1(CC)CC)(C)C)c1c(cccc1C(C)C)C(C)C)=C=C=C1N(c2c(cccc2C(C)C)C(C)C)C(C)(CC1(CC)CC)C.ClCCl.ClCCl.[B](F)(F)(F)[F-]
• 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: 15.393 ± 0.004 Å
• b: 14.569 ± 0.004 Å
• c: 24.605 ± 0.006 Å
• α: 90°
• β: 106.993 ± 0.005°
• γ: 90°
• Cell volume: 5277 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No