Information card for entry 4326232

Structure parameters

• Formula: C45 H79 Ga N4 O5 Si Zr
• Calculated formula: C45 H79 Ga N4 O5 Si Zr
• SMILES: [Zr]1(O[Si](O[Ga]2(O1)[N](=C(C)C=C(N2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(OC(C)(C)C)OC(C)(C)C)(N(CC)CC)N(CC)CC
• 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: 11.112 ± 0.002 Å
• b: 14.274 ± 0.002 Å
• c: 17.383 ± 0.003 Å
• α: 83.13 ± 0.02°
• β: 73.95 ± 0.03°
• γ: 67.71 ± 0.02°
• Cell volume: 2451.4 ± 0.9 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: 0.0369
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No