Information card for entry 7003542

Structure parameters

• Formula: C63 H76.5 Cl6 Ga N3.5 O3
• Calculated formula: C63 H76.5 Cl6 Ga N3.5 O3
• Title of publication: Effect of the substituents on the spin coupling between iminosemiquinone π-radicals mediated by diamagnetic metal ions: l.s. Co(iii) vs Ga(iii)
• Authors of publication: Chaudhuri, Phalguni; Wagner, Rita; Pieper, Ulrich; Biswas, Biplab; Weyhermüller, Thomas
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1286 - 1288
• a: 18.2999 ± 0.0009 Å
• b: 19.7567 ± 0.0009 Å
• c: 35.0963 ± 0.0015 Å
• α: 90°
• β: 93.22 ± 0.01°
• γ: 90°
• Cell volume: 12668.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.2896
• Weighted residual factors for all reflections included in the refinement: 0.2994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No