Information card for entry 2230613

Structure parameters

• Chemical name: bis[(cyanato-κ<i>O</i>)/hydroxido(0.5/0.5)](5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)tin(IV)
• Formula: C45 H29 N5 O2 Sn
• Calculated formula: C45 H29 N5 O2 Sn
• Title of publication: Substitutional disorder in bis[(cyanato-κ<i>O</i>)/hydroxido(0.5/0.5)](5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)tin(IV)
• Authors of publication: Ben Moussa, Imen; Belkhiria, Mohamed Salah; Najmudin, Shabir; Bonifacio, Cecilia; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m903 - m904
• a: 11.2943 ± 0.0006 Å
• b: 12.6972 ± 0.0007 Å
• c: 13.0711 ± 0.0007 Å
• α: 90°
• β: 114.251 ± 0.002°
• γ: 90°
• Cell volume: 1709.06 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes