Information card for entry 7113582

Structure parameters

• Common name: (eta$5!-methylcyclopentadienyl)-bis(dimethylphosphino)ethane- vinyl-bis(triphenylstannyl)acetylide-manganese(i)
• Chemical name: (η^5^-methylcyclopentadienyl)-bis(dimethylphosphino)ethane-vinyl- bis(triphenylstannyl)acetylide-manganese(I)
• Formula: C52 H53 Mn P2 Sn2
• Calculated formula: C52 H53 Mn P2 Sn2
• SMILES: [Sn](C(=C=[Mn]12345([P](CC[P]1(C)C)(C)C)[cH]1[c]5([cH]4[cH]3[cH]21)C)C#C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A facile and novel route to unprecedented manganese C4 cumulenic complexes
• Authors of publication: Venkatesan, Koushik; Fernández, Francisco J.; Blacque, Olivier; Fox, Thomas; Alfonso, Montserrat; Schmalle, Helmut W.; Berke, Heinz
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 2006
• a: 11.1101 ± 0.0005 Å
• b: 16.0437 ± 0.0005 Å
• c: 26.504 ± 0.0005 Å
• α: 90°
• β: 96.074 ± 0.006°
• γ: 90°
• Cell volume: 4697.7 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.1146
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.612
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103832
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No