Information card for entry 7013360

Structure parameters

• Formula: C3 H12 Ga P
• Calculated formula: C3 H12 Ga P
• SMILES: C[P](C)([GaH3])C
• Title of publication: Molecular structure of trimethylphosphine?gallane, Me3P�GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studiesElectronic supplementary information (ESI) available: Cartesian coordinates and least squares correlation matrix for Me3P�GaH3. See http://www.rsc.org/suppdata/dt/b3/b306736j/
• Authors of publication: Tang, Christina Y.; Coxall, Robert A.; Downs, Anthony J.; Greene, Tim M.; Kettle, Lorna; Parsons, Simon; Rankin, David W. H.; Robertson, Heather E.; Turner, Andrew R.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3526
• a: 5.8848 ± 0.0015 Å
• b: 9.212 ± 0.002 Å
• c: 7.0781 ± 0.0018 Å
• α: 90°
• β: 113.879 ± 0.004°
• γ: 90°
• Cell volume: 350.86 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for all reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0359
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No