Information card for entry 4308045

Structure parameters

• Formula: C68 H84 B2 Cl2 Ga2 N8 O6
• Calculated formula: C68 H84 B2 Cl2 Ga2 N8 O6
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1C[N]23CC[NH2][Ga]43([NH2]1)([NH2]CC2)Oc1c(O4)c(c2c(c1Cl)O[Ga]134([NH2]CC[N]4(CC[NH2]1)CC[NH2]3)O2)Cl.CO.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.CO
• Title of publication: Spin Exchange Effects on the Physicochemical Properties of Tetraoxolene-Bridged Bimetallic Complexes
• Authors of publication: Dong Guo; James K. McCusker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3257 - 3274
• a: 13.6041 ± 0.0017 Å
• b: 9.6219 ± 0.0012 Å
• c: 25.158 ± 0.003 Å
• α: 90°
• β: 96.093 ± 0.002°
• γ: 90°
• Cell volume: 3274.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.096
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No