Information card for entry 7051892

Structure parameters

• Formula: C37 H56 Ga I2 N3
• Calculated formula: C37 H56 Ga I2 N3
• SMILES: I[Ga]1(I)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere
• Authors of publication: Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 835
• a: 12.5767 ± 0.0018 Å
• b: 12.5767 ± 0.0018 Å
• c: 23.27 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3680.7 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No