Information card for entry 2010134

Structure parameters

• Chemical name: eq-tert-butylnitrile-1κN-nonacarbonyl-1κ^4^C,2κ^5^C-manganeserhenium(Mn-Re)
• Formula: C14 H9 Mn N O9 Re
• Calculated formula: C14 Mn N O9 Re
• SMILES: [Re]([Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[N]#CC(C)(C)C
• Title of publication: Nonacarbonyl-1κ^4^<i>C</i>,2κ^5^<i>C</i>-pivalonitrile-1κ<i>N</i>-manganeserhenium(<i>Mn</i>‒<i>Re</i>): unsymmetrical distortions of equatorial carbonyl ligands
• Authors of publication: Beckers, Hans-Günther; Flörke, Ulrich; Haupt, Hans-Jürgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1671 - 1673
• a: 12.226 ± 0.003 Å
• b: 16.873 ± 0.003 Å
• c: 18.401 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3795.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1492
• Weighted residual factors for significantly intense reflections: 0.1223
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No