Information card for entry 4313999

Structure parameters

• Formula: C16 H13 Cl3 In N5
• Calculated formula: C16 H13 Cl3 In N5
• SMILES: [In]12(Cl)(Cl)(Cl)[n]3ccccc3N=[N]1c1ccccc1[N]2=C1NC=CC=C1
• Title of publication: Syntheses and Structures of Zwitterionic Indium(III) and Di-zinc Compounds of an Extended Nitrogenous Ligand. Examples of Unusually Long Wavelength Transitions in d10-Metal Complexes
• Authors of publication: Srijit Das; Chen-Hsiung Hung; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5153 - 5157
• a: 10.1082 ± 0.0005 Å
• b: 13.7005 ± 0.0007 Å
• c: 13.2881 ± 0.0007 Å
• α: 90°
• β: 106.39 ± 0.001°
• γ: 90°
• Cell volume: 1765.45 ± 0.16 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No