Information card for entry 2202042

Structure parameters

• Chemical name: Cyclopentadienylmangenesetricarbonyl
• Formula: C26 H42 K Mn N2 O9
• Calculated formula: C26 H42 K Mn N2 O9
• SMILES: [Mn](C#[O])(C#[O])(C#[O])([cH]12)([cH]13)([cH]21)[cH]1c3.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9
• Title of publication: A potassium cryptate-2,2,2 salt of tricarbonyl(η^4^-cyclopentadiene)manganese
• Authors of publication: Shao, Li; Geib, Steven J.; Cooper, N. John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m69 - m71
• a: 11.5443 ± 0.0005 Å
• b: 11.7528 ± 0.0005 Å
• c: 12.5534 ± 0.0006 Å
• α: 110.307 ± 0.001°
• β: 109.523 ± 0.001°
• γ: 91.279 ± 0.001°
• Cell volume: 1486.98 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes