Information card for entry 2008044

Structure parameters

• Formula: C26 H14 Cl2 N8 Sn
• Calculated formula: C26 H14 Cl2 N8 Sn
• SMILES: c12=Nc3c4ccccc4c4n3[Sn]35(n6c(=Nc7cccc(=N4)[n]57)c4ccccc4c6=Nc(ccc1)[n]23)(Cl)Cl
• Title of publication: <i>trans</i>-Dichloro(hemiporphyrazinato)tin(IV)
• Authors of publication: Farris, Philip J.; Jacobs, Jude T.; Okonczac, Michael P.; Durfee, William S.; Noll, Bruce C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 32 - 33
• a: 7.6544 ± 0.0012 Å
• b: 15.351 ± 0.003 Å
• c: 10.287 ± 0.002 Å
• α: 90°
• β: 106.544 ± 0.008°
• γ: 90°
• Cell volume: 1158.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.1043
• Goodness-of-fit parameter for all reflections: 0.999
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No