Information card for entry 4065838

Structure parameters

• Formula: C68 H114 Ba Ga2 N8 O
• Calculated formula: C68 H114 Ba Ga2 N8 O
• SMILES: [Ba]12([Ga]3N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)([Ga]3N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)([N](C)(C)CC[N]1(C)C)[N](C)(C)CC[N]2(C)C.O(CC)CC
• 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: 18.122 ± 0.004 Å
• b: 18.522 ± 0.004 Å
• c: 21.842 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7331 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No