Information card for entry 7219932

Structure parameters

• Formula: C62 H50 N4 O2 Sn
• Calculated formula: C62 H50 N4 O2 Sn
• SMILES: C1(=c2n3c(=C(c4[n]5c(=C(c6ccc(cc6)C)c6n7[Sn]35(Oc3c(cccc3)C)([n]3c1ccc3=C(c7cc6)c1ccc(cc1)C)Oc1c(cccc1)C)cc4)c1ccc(cc1)C)cc2)c1ccc(C)cc1
• Title of publication: Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates
• Authors of publication: Wang, Shuang; Forsyth, Craig; Langford, Steven J.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3060
• a: 36.528 ± 0.002 Å
• b: 36.528 ± 0.002 Å
• c: 10.5054 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12139.3 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1444
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No