Information card for entry 4502730

Structure parameters

• Formula: C8 H4 B F4 Mn N2 O3
• Calculated formula: C8 H4 Mn N2 O3
• SMILES: C([Mn]1234(C#[O])([CH]5=[CH]2[C]4(=N#N)[CH]3=[CH]15)C#[O])#[O]
• Title of publication: Organometallic electrodes: modification of electrode surfaces through cathodic reduction of cyclopentadienyldiazonium complexes of cobalt and manganese.
• Authors of publication: Laws, Derek R.; Sheats, John; Rheingold, Arnold L.; Geiger, William E.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2010
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 15010 - 15021
• a: 12.0967 ± 0.001 Å
• b: 7.3951 ± 0.0006 Å
• c: 12.8488 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1149.41 ± 0.16 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No