Information card for entry 7715737

Structure parameters

• Common name: jpd4064
• Formula: C72 H162 Fe Ge2 O26 Si6
• Calculated formula: C72 H162 Fe Ge2 O26 Si6
• SMILES: CC(C)(C)[O]1[Si](O[Ge](O[Fe]1O[Ge](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: M-Ge-Si thermolytic molecular precursors and models for germanium-doped transition metal sites on silica.
• Authors of publication: Dombrowski, James P.; Kalendra, Vidmantas; Ziegler, Micah S.; Lakshmi, K. V.; Bell, Alexis T.; Tilley, T. Don
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7340 - 7349
• a: 13.0028 ± 0.0008 Å
• b: 13.4308 ± 0.0008 Å
• c: 17.3272 ± 0.001 Å
• α: 92.082 ± 0.003°
• β: 110.355 ± 0.003°
• γ: 114.958 ± 0.003°
• Cell volume: 2511.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No