Information card for entry 7000100

Structure parameters

• Formula: C4 H14 Ga N
• Calculated formula: C4 H14 Ga N
• SMILES: C(C)([NH2][GaH3])(C)C
• Title of publication: Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).
• Authors of publication: Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 20
• Pages of publication: 3281 - 3290
• a: 16.223 ± 0.002 Å
• b: 7.9767 ± 0.0011 Å
• c: 6.0427 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 781.96 ± 0.19 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8755
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No