Information card for entry 7202645

Structure parameters

• Common name: Trans dihydroxy (5,10,15,20-tetrakis(4-pyridyl)porphrynato) tin(IV) tetra hydrate
• Chemical name: Trans dihydroxy (5,10,15,20-tetrakis(4-pyridyl)porphrynato) tin(IV) tetra hydrate
• Formula: C40 H42 N8 O10 Sn
• Calculated formula: C40 H42 N8 O10 Sn
• SMILES: c12=C(c3ccc4C(=c5ccc6[n]5[Sn]5([n]2c(cc1)C(=c1ccc(=C6c2ccncc2)n51)c1ccncc1)(n34)(O)O)c1ccncc1)c1ccncc1.O.O.O.O.O.O.O.O
• Title of publication: Supramolecular self-assembly of dihydroxy tin(iv) porphyrin stabilized helical water chains
• Authors of publication: Langford, Steven J.; Woodward, Clint P.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 218
• a: 12.4391 ± 0.0006 Å
• b: 12.72 ± 0.0005 Å
• c: 13.2986 ± 0.0006 Å
• α: 90°
• β: 114.955 ± 0.001°
• γ: 90°
• Cell volume: 1907.73 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No