Information card for entry 4079799

Structure parameters

• Formula: C37 H29 Au Mn2 O9 P2
• Calculated formula: C37 H29 Au Mn2 O9 P2
• SMILES: [Au]1([Mn]2([Mn]1([P@@]12[C@]2(C(C(=C([C@]2(C1=O)C)C)C)=C)C)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Au]1([Mn]2([Mn]1([P@]12[C@@]2(C(C(=C([C@@]2(C1=O)C)C)C)=C)C)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Transformation of a Phosphorus-Bound Cp* Moiety in the Coordination Sphere of Manganese Carbonyl Complexes
• Authors of publication: Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Virovets, Alexander V.; Scheer, Manfred
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 770
• a: 18.947 ± 0.004 Å
• b: 12.731 ± 0.003 Å
• c: 16.313 ± 0.003 Å
• α: 90°
• β: 108.04 ± 0.03°
• γ: 90°
• Cell volume: 3741.5 ± 1.5 ų
• Cell temperature: 203 ± 0.2 K
• Ambient diffraction temperature: 203 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.1442
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No