Information card for entry 4065844

Structure parameters

• Formula: C66 H108 Ba Ga2 N6 O2
• Calculated formula: C66 H108 Ba Ga2 N6 O2
• SMILES: [Ba]1([Ga]2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([O](CC)CC)([Ga]2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([O](CC)CC)[N](CC[N]1(C)C)(C)C
• Title of publication: Group 2 and 12 Metal Gallyl Complexes Containing Unsupported Ga−M Covalent Bonds (M = Mg, Ca, Sr, Ba, Zn, Cd)†
• Authors of publication: Bonello, Owen; Jones, Cameron; Stasch, Andreas; Woodul, William D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4914
• a: 19.341 ± 0.004 Å
• b: 18.414 ± 0.004 Å
• c: 39.322 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14004 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0823
• 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