Information card for entry 7033331

Structure parameters

• Formula: C26 H18 Cl2 N2 O Sn
• Calculated formula: C26 H18 Cl2 N2 O Sn
• SMILES: [Sn]12(Cl)(Cl)(Oc3c(C=[N]2c2c4[n]1cccc4ccc2)c1ccccc1cc3)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: 12.2999 ± 0.0015 Å
• b: 10.4788 ± 0.0013 Å
• c: 17.361 ± 0.002 Å
• α: 90°
• β: 90.753 ± 0.002°
• γ: 90°
• Cell volume: 2237.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No