Information card for entry 7021472

Structure parameters

• Formula: C60 H88 Au4 B40 Cl8 P4 Se4
• Calculated formula: C60 H88 Au4 B40 Cl8 P4 Se4
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%16%1712)[C]4%13%15[P]([Au]1([P]([C]37%10%12)(c2ccccc2)c2ccccc2)[Se]2[C]3456[C]789([BH]%10%113[BH]3%127[BH]7%138[BH]849[BH]495[BH]56%10[BH]6%113[BH]3%127[BH]%1384[BH]9563)[Se]1[Au][Se]1[C]3456[C]789([BH]%10%113[BH]3%127[BH]7%138[BH]849[BH]495[BH]56%10[BH]6%113[BH]3%127[BH]%1384[BH]9563)[Se]([Au]31[P]([C]145[BH]678[BH]9%101[BH]1%114[BH]4%125[BH]5%13%14[BH]%156([BH]679[BH]7%101[BH]%1145[BH]%14%1567)[C]8%12%13[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Au]2)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: Diselenolate- and ditellurolate-carborane gold complexes.
• Authors of publication: Crespo, Olga; Gimeno, M Concepción; Ilie, Adriana; Laguna, Antonio; Ospino, Isaura; Silvestru, Cristian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10454 - 10459
• a: 11.55 ± 0.002 Å
• b: 15.209 ± 0.003 Å
• c: 16.081 ± 0.003 Å
• α: 105.15 ± 0.03°
• β: 110.39 ± 0.03°
• γ: 106.59 ± 0.03°
• Cell volume: 2323.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0189
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No