Information card for entry 4315420

Structure parameters

• Formula: C125 H58 Au Cl4 P
• Calculated formula: C125 H58 Au Cl4 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)C12C3=C4C5=C1C1(c6c7C2(c2c8C3(c3c9C4(c4c%10C5(c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1c1c6c2c3c41)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C.Clc1c(Cl)cccc1.Clc1c(Cl)cccc1
• Title of publication: Gold(I) Triphenylphosphine Complexes Incorporating Pentaarylfulleride Ligands
• Authors of publication: Merissa Halim; Robert D. Kennedy; Saeed I. Khan; Yves Rubin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3974 - 3976
• a: 15.9259 ± 0.0014 Å
• b: 16.3684 ± 0.0014 Å
• c: 18.8575 ± 0.0016 Å
• α: 89.774 ± 0.001°
• β: 69.31 ± 0.001°
• γ: 63.885 ± 0.001°
• Cell volume: 4061.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1164
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No