Information card for entry 4325449

Structure parameters

• Formula: C45 H63 F3 Ga O3 Rh S n2
• Calculated formula: C45 H63 F3 Ga N2 O3 Rh S
• SMILES: [Rh]123456([Ga]7(OS(=O)(=O)C(F)(F)F)N(C(=CC(=[N]7c7c(cccc7C(C)C)C(C)C)C)C)c7c(cccc7C(C)C)C(C)C)([cH]7[cH]1[cH]2[c]3([cH]4[cH]57)C)[CH]1CCCCCC[CH]6=1
• Title of publication: Homoleptic Hexa and Penta Gallylene Coordinated Complexes of Molybdenum and Rhodium
• Authors of publication: Timo Bollermann; Thomas Cadenbach; Christian Gemel; Kerstin Freitag; Mariusz Molon; Vanessa Gwildies; Roland A. Fischer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5808 - 5814
• a: 11.581 ± 0.0005 Å
• b: 21.9442 ± 0.001 Å
• c: 18.6298 ± 0.0009 Å
• α: 90°
• β: 96.623 ± 0.004°
• γ: 90°
• Cell volume: 4702.9 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• 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: 0.0819
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No