Information card for entry 4339865

Structure parameters

• Formula: C31 H47 Al Ge N2 Se2
• Calculated formula: C31 H47 Al Ge N2 Se2
• SMILES: [Al]12([Se][Ge]([Se]1)(C)C)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and characterization of well-defined aluminum-containing heterobimetallic selenides.
• Authors of publication: Yang, Zhi; Ma, Xiaoli; Roesky, Herbert W.; Yang, Ying; Magull, Jörg; Ringe, Arne
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7093 - 7096
• a: 11.9939 ± 0.001 Å
• b: 17.4552 ± 0.0009 Å
• c: 16.0281 ± 0.0013 Å
• α: 90°
• β: 90.686 ± 0.006°
• γ: 90°
• Cell volume: 3355.3 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No