Information card for entry 4088541

Structure parameters

• Formula: C42 H56 Ge2 Mn2 N4 O8
• Calculated formula: C42 H56 Ge2 Mn2 N4 O8
• SMILES: CC(C)[N]1=C(c2ccccc2)N(C(C)C)[Ge]1(C(C)(C)C)[Mn](C#[O])(C#[O])(C#[O])(C#[O])[Mn](C#[O])(C#[O])(C#[O])(C#[O])[Ge]1([N](C(C)C)=C(c2ccccc2)N1C(C)C)C(C)(C)C
• Title of publication: [MnBrL(CO)4] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions
• Authors of publication: Cabeza, Javier A.; García-Álvarez, Pablo; Gobetto, Roberto; González-Álvarez, Laura; Nervi, Carlo; Pérez-Carreño, Enrique; Polo, Diego
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1761
• a: 16.1948 ± 0.0005 Å
• b: 16.3153 ± 0.0004 Å
• c: 17.6171 ± 0.0003 Å
• α: 90°
• β: 91.417 ± 0.002°
• γ: 90°
• Cell volume: 4653.4 ± 0.2 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No