Information card for entry 7105797

Structure parameters

• Common name: (Cl2(CH3)Si)Mn(CO)3(CNArDipp2)2
• Formula: C66 H77 Cl2 Mn N2 O3 Si
• Calculated formula: C66 H77 Cl2 Mn N2 O3 Si
• SMILES: [Mn]([Si](Cl)(Cl)C)(C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides
• Authors of publication: Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 406
• a: 10.625 ± 0.003 Å
• b: 23.786 ± 0.007 Å
• c: 25.576 ± 0.008 Å
• α: 78.096 ± 0.004°
• β: 78.251 ± 0.004°
• γ: 84.842 ± 0.004°
• Cell volume: 6184 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1622
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No