Information card for entry 4303993

Structure parameters

• Common name: eispd04
• Formula: C51 H35 Cl2 N3 Pt
• Calculated formula: C51 H35 Cl N3 Pt
• SMILES: [Pt]12(Cl)[n]3ccccc3c3[n]1c(cc(c3)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1cccc[n]21
• Title of publication: Synthesis and Structural Characterization of a New Vapochromic Pt(II) Complex Based on the 1-Terpyridyl-2,3,4,5,6-pentaphenylbenzene (TPPPB) Ligand
• Authors of publication: Pingwu Du; Jacob Schneider; William W. Brennessel; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 69 - 77
• a: 29.85 ± 0.009 Å
• b: 21.834 ± 0.007 Å
• c: 44.023 ± 0.013 Å
• α: 90°
• β: 93.795 ± 0.004°
• γ: 90°
• Cell volume: 28629 ± 15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1991
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2334
• Weighted residual factors for all reflections included in the refinement: 0.2671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No