Information card for entry 4323286

Structure parameters

• Chemical name: μ-dicyclohexylphosphido-P,P-bis(triphenylphosphido-gold)- chloro-heptacarbonyl-dirhenium dichloromethane solvate
• Formula: C56 H54 Au2 Cl3 O7 P3 Re2
• Calculated formula: C56 H54 Au2 Cl3 O7 P3 Re2
• SMILES: [Au]12([Au]3([Re]41([Re]23([P]4(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O])(Cl)(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Stepwise Synthesis of the Functionalized Metallatetrahedron Re~2~(AuPPh~3~)~2~(μ-PCy~2~)(CO)~7~X (X = Cl, Br, I)
• Authors of publication: Hans-Jürgen Haupt; Meinhard Schwefer; Hans Egold; Ulrich Flörke
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 184 - 188
• a: 18.615 ± 0.005 Å
• b: 13.606 ± 0.002 Å
• c: 24.223 ± 0.006 Å
• α: 90°
• β: 105.14 ± 0.02°
• γ: 90°
• Cell volume: 5922 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1936
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections: 0.1596
• Weighted residual factors for significantly intense reflections: 0.1194
• Goodness-of-fit parameter for all reflections: 0.97
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No