Information card for entry 2214370

Structure parameters

• Chemical name: {μ-1,1'-[2-Cyano-2-(2-pyridyl)propane-1,3-
• Formula: C25 H16 Mn2 N2 O6
• Calculated formula: C25 H16 Mn2 N2 O6
• SMILES: [Mn]1234([cH]5[cH]2[cH]1[cH]3[c]45CC(C#N)(c1ncccc1)C[c]12[Mn]345([cH]([cH]24)[cH]5[cH]13)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: {μ-1,1'-[2-Cyano-2-(2-pyridyl)propane-1,3-diyl]di-η^5^-cyclopentadienyl}bis[tricarbonylmanganese(II)]
• Authors of publication: Duke, III, Charles B.; To, Tung T.; Ross, II, Charles R.; Burkey,Theodore J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1848 - m1849
• a: 12.3281 ± 0.0003 Å
• b: 14.9809 ± 0.0004 Å
• c: 12.7137 ± 0.0003 Å
• α: 90°
• β: 102.202 ± 0.001°
• γ: 90°
• Cell volume: 2295 ± 0.1 ų
• Cell temperature: 173 ± 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 significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes