Information card for entry 4326231

Structure parameters

• Formula: C45 H79 Ga N4 O5 Si Ti
• Calculated formula: C45 H79 Ga N4 O5 Si Ti
• SMILES: [Ga]12(O[Ti](O[Si](O1)(OC(C)(C)C)OC(C)(C)C)(N(CC)CC)N(CC)CC)[N](=C(C)C=C(N2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives
• Authors of publication: Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8907 - 8917
• a: 11.136 ± 0.0008 Å
• b: 14.1617 ± 0.001 Å
• c: 17.3505 ± 0.0013 Å
• α: 82.718 ± 0.001°
• β: 73.453 ± 0.001°
• γ: 68.203 ± 0.001°
• Cell volume: 2434.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No