Information card for entry 2238956

Structure parameters

• Chemical name: [<i>meso</i>-5,10,15,20-Tetrakis(3-methylthiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) benzene hemisolvate
• Formula: C43 H31 N4 Ni S4
• Calculated formula: C43 H31 N4 Ni S4
• Title of publication: [<i>meso</i>-5,10,15,20-Tetrakis(3-methylthiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) benzene hemisolvate
• Authors of publication: Prasath, R.; Bhavana, P.; Gupta, Sushil K.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m652 - m653
• a: 12.4854 ± 0.0006 Å
• b: 11.3906 ± 0.0005 Å
• c: 28.365 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4034 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1664
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No