Information card for entry 4073463

Structure parameters

• Formula: C47 H60 Cu Ga N4
• Calculated formula: C47 H60 Cu Ga N4
• SMILES: [Ga]1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Cu]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Group 9 and 11 Metal(I) Gallyl Complexes Stabilized by N-Heterocyclic Carbene Coordination: First Structural Characterization of Ga-M (M = Cu or Ag) Bonds
• Authors of publication: Green, Shaun P.; Jones, Cameron; Mills, David P.; Stasch, Andreas
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3424
• a: 23.502 ± 0.005 Å
• b: 13.04 ± 0.003 Å
• c: 29.209 ± 0.006 Å
• α: 90°
• β: 90.26 ± 0.03°
• γ: 90°
• Cell volume: 8951 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No