Information card for entry 7016848

Structure parameters

• Formula: C46 H45 Au2 B9 Cl2 F5 P3
• Calculated formula: C46 H45 Au2 B9 Cl2 F5 P3
• SMILES: [Au]1([Au](c2c(c(c(c(c2F)F)F)F)F)[P]([C]234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]859[BH]5%15([H][BH]5%12%14[C]4%13([BH]26%10%11)[P]1(c1ccccc1)c1ccccc1)[BH]378)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C.ClCCl
• Title of publication: Highly emissive dinuclear complexes [Au(2){μ-(PPh(2))(2)C(2)B(9)H(10)}(C(6)F(5))(PR(3))] with different gold fragments coordinated to an anionic diphosphine.
• Authors of publication: Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Laguna, Antonio; Monge, Miguel; Ospino, Isaura
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10038 - 10046
• a: 14.013 ± 0.003 Å
• b: 14.09 ± 0.003 Å
• c: 25.494 ± 0.005 Å
• α: 90°
• β: 101.88 ± 0.03°
• γ: 90°
• Cell volume: 4925.8 ± 1.9 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No