Information card for entry 4335294

Structure parameters

• Formula: C46 H58 Cl2 Ga2 N4 O
• Calculated formula: C46 H58 Cl2 Ga2 N4 O
• SMILES: CC1=[N](c2c(cc(cc2C)C)C)[Ga](N(C(=C1)C)c1c(cc(cc1C)C)C)(O[Ga]1(N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)Cl)Cl
• Title of publication: A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds
• Authors of publication: Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6944 - 6950
• a: 20.539 ± 0.003 Å
• b: 47.199 ± 0.005 Å
• c: 9.343 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9057 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No