Information card for entry 4327367

Structure parameters

• Formula: C62 H46 N4 O2 Sn
• Calculated formula: C62 H46 N4 O2 Sn
• SMILES: [Sn]123(C#Cc4ccccc4)(n4c5=C(c6ccc(=C(c7ccc(C(=c8ccc(C(=c4cc5)c4ccc(C)cc4)[n]18)c1ccc(C)cc1)n27)c1ccc(C)cc1)[n]36)c1ccc(C)cc1)Oc1ccccc1O
• Title of publication: Reaction of Tin Porphyrins with Vicinal Diols
• Authors of publication: Guodong Du; Arkady Ellern; L. Keith Woo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2379 - 2386
• a: 10.594 ± 0.003 Å
• b: 32.673 ± 0.009 Å
• c: 15.814 ± 0.004 Å
• α: 90°
• β: 98.477 ± 0.005°
• γ: 90°
• Cell volume: 5414 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1255
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No