Information card for entry 4343282

Structure parameters

• Formula: C55 H81 Ga I N2 O2
• Calculated formula: C55 H81 Ga I N2 O2
• Title of publication: Indirect Magnetic Exchange between o-Iminosemiquinonate Ligands Controlled by Apical Substituent in Pentacoordinated Gallium(III) Complexes.
• Authors of publication: Piskunov, Alexander V.; Ershova, Irina V.; Bogomyakov, Artem S.; Starikov, Andrey G.; Fukin, Georgy K.; Cherkasov, Vladimir K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6090 - 6099
• a: 20.0651 ± 0.0012 Å
• b: 21.6846 ± 0.0012 Å
• c: 25.8774 ± 0.0015 Å
• α: 90°
• β: 106.41 ± 0.0011°
• γ: 90°
• Cell volume: 10800.7 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No