Information card for entry 7033334

Structure parameters

• Formula: C22 H15 Br Cl2 N2 O Sn
• Calculated formula: C22 H15 Br Cl2 N2 O Sn
• SMILES: [Sn]12(Cl)(Cl)(Oc3ccc(cc3C=[N]1c1cccc3ccc[n]2c13)Br)c1ccccc1
• Title of publication: Sn(iv) Schiff base complexes: triplet photosensitizers for photoredox reactions.
• Authors of publication: Grusenmeyer, Tod A.; King, Albert W.; Mague, Joel T.; Rack, Jeffrey J.; Schmehl, Russell H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 47
• Pages of publication: 17754 - 17765
• a: 23.2013 ± 0.0008 Å
• b: 10.828 ± 0.0004 Å
• c: 28.3103 ± 0.0009 Å
• α: 90°
• β: 98.767 ± 0.002°
• γ: 90°
• Cell volume: 7029.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No