Information card for entry 7704935

Structure parameters

• Formula: C28 H32 Mn N3 O6
• Calculated formula: C28 H32 Mn N3 O6
• SMILES: [Mn]1(n2c(N3C=CN(c4c(C(C)C)cccc4C(C)C)C=13)cccc2=O)(C#[O])(C#[O])(C#[O])C#[O].C(OCC)C
• Title of publication: Mn^I complex redox potential tunability by remote lewis acid interaction.
• Authors of publication: Srinivasan, Anandi; Campos, Jesús; Giraud, Nicolas; Robert, Marc; Rivada-Wheelaghan, Orestes
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16623 - 16626
• a: 18.495 ± 0.005 Å
• b: 18.495 ± 0.005 Å
• c: 17.89 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6120 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No