Information card for entry 4335765

Structure parameters

• Formula: C14 H22 Cl N3 Sn
• Calculated formula: C14 H22 Cl N3 Sn
• SMILES: [Sn]12(Cl)n3c(ccc3C[N]31CCCC3)C[N]12CCCC1
• Title of publication: Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand
• Authors of publication: Christian Maaß; Diego M. Andrada; Ricardo A. Mata; Regine Herbst-Irmer; Dietmar Stalke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9539 - 9548
• a: 11.645 ± 0.002 Å
• b: 14.595 ± 0.003 Å
• c: 9.281 ± 0.002 Å
• α: 90°
• β: 99.28 ± 0.02°
• γ: 90°
• Cell volume: 1556.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes