Information card for entry 2234250

Structure parameters

• Chemical name: [<i>meso</i>-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II)
• Formula: C36 H16 Br4 N4 Ni S4
• Calculated formula: C36 H16 Br4 N4 Ni S4
• Title of publication: [<i>meso</i>-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II)
• Authors of publication: Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m471 - m472
• a: 21.9367 ± 0.0009 Å
• b: 19.009 ± 0.0009 Å
• c: 16.1742 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6744.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes