Information card for entry 4331873

Structure parameters

• Formula: C41 H57 Ga N2 O Zr
• Calculated formula: C41 H57 Ga N2 O Zr
• SMILES: [Zr]12345678(O[Ga]9([N](=C(C)C=C(N9c9c(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)C
• Title of publication: Synthesis, Characterization, and X-ray Crystal Structure of a Gallium Monohydroxide and a Hetero-bimetallic Gallium Zirconium Oxide
• Authors of publication: Singh, Sanjay; Jancik, Vojtech; Roesky, Herbert W.; Herbst-Irmer, Regine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 949 - 951
• a: 10.056 ± 0.002 Å
• b: 18.586 ± 0.003 Å
• c: 20.013 ± 0.003 Å
• α: 90°
• β: 90.2 ± 0.02°
• γ: 90°
• Cell volume: 3740.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0222
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No