Information card for entry 7042716

Structure parameters

• Common name: Mn(BiCl2)(CO)3(CNArDipp2)2
• Formula: C73 H89 Bi Cl2 Mn N2 O5
• Calculated formula: C73 H89 Bi Cl2 Mn N2 O5
• SMILES: [Bi]([Mn](C#[N]c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(C(C)C)cccc1C(C)C)(C#[O])(C#[O])C#[O])(Cl)Cl.O1CCCC1.O1CCCC1
• Title of publication: Comparison of Nucleophilic- and Radical-Based Routes to the Formation of Manganese-Main Group Element Single Bonds
• Authors of publication: Figueroa, Joshua S.; Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 17.0881 ± 0.001 Å
• b: 16.5315 ± 0.0009 Å
• c: 24.8358 ± 0.0014 Å
• α: 90°
• β: 105.362 ± 0.001°
• γ: 90°
• Cell volume: 6765.2 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No