Information card for entry 2200762

Structure parameters

• Formula: C68 H50 N4 O2 Sn
• Calculated formula: C68 H50 N4 O2 Sn
• SMILES: C1(=c2ccc3=C(c4ccc5=C(c6ccc7n6[Sn](n23)([n]2c(=C7c3ccc(cc3)C)ccc12)([n]45)(Oc1cc2ccccc2cc1)Oc1cc2ccccc2cc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Bis(2-naphthoxy)[5,10,15,20-tetra-<i>p</i>-tolylporphyrinato]tin(IV)
• Authors of publication: Fallon, Gary D.; Lee, Marcia A.-P.; Langford, Steven J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m564 - m565
• a: 11.166 ± 0.001 Å
• b: 11.409 ± 0.001 Å
• c: 11.724 ± 0.001 Å
• α: 107.63 ± 0.01°
• β: 110.44 ± 0.01°
• γ: 96.68 ± 0.01°
• Cell volume: 1291.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes