Information card for entry 7017581

Structure parameters

• Common name: (GaBr3(IMes))
• Formula: C21 H23 Br3 Ga N2
• Calculated formula: C21 H24 Br3 Ga N2
• SMILES: Br[Ga](Br)(Br)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Low valent and hydride complexes of NHC coordinated gallium and indium.
• Authors of publication: Ball, Graham E.; Cole, Marcus L.; McKay, Alasdair I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 946 - 952
• a: 16.4429 ± 0.0005 Å
• b: 16.6293 ± 0.0005 Å
• c: 17.4316 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4766.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1993
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No