Information card for entry 2216087

Structure parameters

• Chemical name: [5,10,15,20-Tetrakis(2,6-dimethoxyphenyl)porphyrinato]nickel(II)‒toluene‒ dichloromethane (3/2/4)
• Formula: C58 H52 Cl2.67 N4 Ni O8
• Calculated formula: C58 H52 Cl2.66667 N4 Ni O8
• Title of publication: [5,10,15,20-Tetrakis(2,6-dimethoxyphenyl)porphyrinato]nickel(II)‒toluene‒dichloromethane (3/2/4):a mixed solvate
• Authors of publication: Diane Conrad; Jennifer DeCoskey; Christopher Yeisley; Matthias Zeller; Allen D. Hunter; Edward P. Zovinka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2824 - m2824
• a: 16.8286 ± 0.001 Å
• b: 26.1041 ± 0.0015 Å
• c: 17.6845 ± 0.001 Å
• α: 90°
• β: 92.813 ± 0.001°
• γ: 90°
• Cell volume: 7759.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes