Information card for entry 4313550

Structure parameters

• Formula: C39 H72 Ge3 Mo N6 O3
• Calculated formula: C39 H72 Ge3 Mo N6 O3
• SMILES: [Mo](=[Ge]1N(C=CN1CC(C)(C)C)CC(C)(C)C)(=[Ge]1N(C=CN1CC(C)(C)C)CC(C)(C)C)(=[Ge]1N(C=CN1CC(C)(C)C)CC(C)(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Formation and Structure of fac-[Mo(CO)3(C2H2[N(CH2But)]2Ge)3]: The First Structurally Characterized Group 6 Transition Metal Complex of an Unsaturated Diaminogermylene
• Authors of publication: Olaf Kühl; Peter Lönnecke; Joachim Heinicke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2836 - 2838
• a: 19.525 ± 0.003 Å
• b: 10.5325 ± 0.0017 Å
• c: 23.949 ± 0.004 Å
• α: 90°
• β: 96.398 ± 0.003°
• γ: 90°
• Cell volume: 4894.4 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.1387
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No