Information card for entry 1100713

Structure parameters

• Formula: C40 H54 Ge Hf N2 O
• Calculated formula: C40 H54 Ge Hf N2 O
• SMILES: [Hf]12345678(O[Ge]9=N(=C(C=C(C)N9c9c(cccc9C(C)C)C(C)C)C)c9c(cccc9C(C)C)C(C)C)(C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides
• Authors of publication: Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3537 - 3540
• a: 9.323 ± 0.001 Å
• b: 10.474 ± 0.001 Å
• c: 20.2 ± 0.001 Å
• α: 89.13 ± 0.01°
• β: 89.87 ± 0.01°
• γ: 67.04 ± 0.01°
• Cell volume: 1816 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No