Information card for entry 4065845

Structure parameters

• Formula: C41 H71 Cd2 I4 Li N2 O3
• Calculated formula: C41 H71 Cd2 I4 Li N2 O3
• SMILES: I[Cd]12[N](=C(C)C([Cd]([I]1)([I][Li]([O](CC)CC)([O](CC)CC)[O](CC)CC)I)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)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: 12.198 ± 0.002 Å
• b: 31.144 ± 0.006 Å
• c: 14.723 ± 0.003 Å
• α: 90°
• β: 114.25 ± 0.03°
• γ: 90°
• Cell volume: 5100 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No