Information card for entry 4079834

Structure parameters

• Formula: C28 H56 Ga K Si4
• Calculated formula: C28 H56 Ga K Si4
• SMILES: [Ga](C[Si](C)(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.[K+].c1ccccc1.c1ccccc1
• Title of publication: Co-complexation Syntheses, Structural Characterization, and DFT Studies of a Novel Series of Polymeric Alkali-Metal Tetraorganogallates
• Authors of publication: Armstrong, David R.; Brammer, Elanor; Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 480
• a: 10.7469 ± 0.0005 Å
• b: 17.2476 ± 0.0011 Å
• c: 19.5632 ± 0.001 Å
• α: 90°
• β: 91.103 ± 0.004°
• γ: 90°
• Cell volume: 3625.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No