Information card for entry 4079833

Structure parameters

• Formula: C16 H44 Ga Na Si4
• Calculated formula: C16 H44 Ga Na Si4
• SMILES: [Ga](C[Si](C)(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.[Na+]
• 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: 28.189 ± 0.0006 Å
• b: 28.189 ± 0.0006 Å
• c: 12.7454 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10127.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No