Information card for entry 4319995

Structure parameters

• Chemical name: bis(m-1,8-naphthalenediyl)bis-(chloroindium(III)) tetrakis(pyridine)
• Formula: C50 H42 Cl2 In2 N6
• Calculated formula: C50 H42 Cl2 In2 N6
• SMILES: [n]1(ccccc1)[In]12(Cl)(c3cccc4cccc(c34)[In]2(c2cccc3cccc1c23)([n]1ccccc1)([n]1ccccc1)Cl)[n]1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Synthesis of a Diindacycle by Transmetalation of 1,8-Bis(trimethylstannyl)naphthalene with InCl3
• Authors of publication: James D. Hoefelmeyer; Marcus Schulte; François P. Gabbaï
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3833 - 3834
• a: 11.2709 ± 0.0007 Å
• b: 16.7712 ± 0.001 Å
• c: 22.9421 ± 0.0014 Å
• α: 90°
• β: 99.268 ± 0.001°
• γ: 90°
• Cell volume: 4280.1 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No