Information card for entry 1100712

Structure parameters

• Formula: C40 H54 Ge N2 O Zr
• Calculated formula: C40 H54 Ge N2 O Zr
• SMILES: [Zr]12345678(O[Ge]9N(C(=CC(C)=[N]9c9c(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]5[cH]6[cH]7[cH]81
• 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: 9.444 ± 0.001 Å
• b: 10.522 ± 0.001 Å
• c: 19.75 ± 0.001 Å
• α: 88.64 ± 0.01°
• β: 89.6 ± 0.01°
• γ: 67.44 ± 0.01°
• Cell volume: 1811.9 ± 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: 0.0297
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No