Information card for entry 4074204

Structure parameters

• Formula: C15 H13 Mn N2 O4
• Calculated formula: C15 H13 Mn N2 O4
• SMILES: [Mn]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])COC
• Title of publication: Synthesis and Reactivity of New (Methoxy)methyl Complexes of Manganese(I) and Rhenium(I)
• Authors of publication: Hevia, Eva; Miguel, Daniel; Pérez, Julio; Riera, Víctor
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4909
• a: 6.9674 ± 0.0007 Å
• b: 8.5023 ± 0.0008 Å
• c: 14.1923 ± 0.0013 Å
• α: 74.046 ± 0.002°
• β: 81.882 ± 0.002°
• γ: 69.172 ± 0.002°
• Cell volume: 754.64 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No