Information card for entry 7052712

Structure parameters

• Formula: C64 H76 Cl10 In2 N4
• Calculated formula: C62 H72 Cl6 In2 N4
• SMILES: C12C(c3c4c1ccc1c4c(C4C1=[N](c1c(cccc1C(C)C)C(C)C)[In]([N]=4c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)Cl)cc3)=[N](c1c(cccc1C(C)C)C(C)C)[In]([N]=2c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)Cl
• Title of publication: New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand
• Authors of publication: Vasudevan, Kalyan V.; Cowley, Alan H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2043
• a: 11.676 ± 0.005 Å
• b: 17.25 ± 0.005 Å
• c: 18.117 ± 0.005 Å
• α: 90°
• β: 91.994 ± 0.005°
• γ: 90°
• Cell volume: 3647 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No