Information card for entry 7704142

Structure parameters

• Formula: C41 H55 Au B N10
• Calculated formula: C41 H55 Au B N10
• SMILES: [Au]([n]1n(c(cc1C)C)[BH](n1[nH+]c(cc1C)C)n1nc(cc1C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C.[nH]1nc(cc1C)C
• Title of publication: NHC-Au(i) complexes bearing trispyrazolyl borate (Tp) ligands: efficient platforms for bimetallic species.
• Authors of publication: Ángel-Jijón, Carlos; Rendón-Nava, David; Vazques-Pérez, Jose M; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel; Salazar-Pereda, Verónica
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 6199 - 6204
• a: 11.3365 ± 0.0003 Å
• b: 11.3427 ± 0.0003 Å
• c: 17.7686 ± 0.0006 Å
• α: 71.578 ± 0.003°
• β: 80.431 ± 0.002°
• γ: 80.447 ± 0.002°
• Cell volume: 2121.79 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No