Information card for entry 7051891

Structure parameters

• Formula: C64 H96 Cl2 In2 N6
• Calculated formula: C64 H96 Cl2 In2 N6
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[In](N1c1c(cccc1C(C)C)C(C)C)(Cl)[In]1([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(cccc1C(C)C)C(C)C)N1[C@@H](CCC[C@@H]1C)C)Cl)N1[C@H](CCC[C@H]1C)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: 11.518 ± 0.002 Å
• b: 19.205 ± 0.004 Å
• c: 14.668 ± 0.003 Å
• α: 90°
• β: 103.02 ± 0.03°
• γ: 90°
• Cell volume: 3161.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No