Information card for entry 1572642

Structure parameters

• Formula: C19 H46 Au B9 Cl5 N4 P2
• Calculated formula: C19 H46 Au B9 Cl5 N4 P2
• SMILES: [BH]1234[BH]567[BH]89[BH]%10%11[BH]%1258[BH]516[BH]163[BH]%10([BH]%11%1251)[C]146[C]279[P]2(N(CCN2C(C)C)C(C)C)[Au]([P]21N(CCN2C(C)C)C(C)C)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Catechol/<i>o</i>-benzoquinone exchange at gold(iii).
• Authors of publication: León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 16651 - 16659
• a: 19.4759 ± 0.0013 Å
• b: 17.3049 ± 0.0011 Å
• c: 10.6632 ± 0.0006 Å
• α: 90°
• β: 102.725 ± 0.002°
• γ: 90°
• Cell volume: 3505.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No