Information card for entry 7051895

Structure parameters

• Formula: C62 H96 Cl2 In2 N6
• Calculated formula: C62 H96 Cl2 In2 N6
• SMILES: [In]1(Cl)([N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[In]1(Cl)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)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: 14.424 ± 0.003 Å
• b: 22.313 ± 0.005 Å
• c: 22.538 ± 0.005 Å
• α: 116.69 ± 0.03°
• β: 97.26 ± 0.03°
• γ: 96.81 ± 0.03°
• Cell volume: 6302 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1398
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2252
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No