Information card for entry 2200634

Structure parameters

• Chemical name: 5,15-bis(4-pyridyl)-2,8,12,18-tetra-n-butyl-3,7,13,17- tetramethylporphyrinato zinc(II) chloroform solvate
• Formula: C51 H59 Cl3 N6 Zn
• Calculated formula: C51 H59 Cl3 N6 Zn
• Title of publication: [5,15-Bis(4-pyridyl)-2,8,12,18-tetra-<i>n</i>-butyl-3,7,13,17-tetramethylporphyrinato]zinc(II) chloroform solvate
• Authors of publication: Wild, Kirstie Y.; Therrien, Bruno; Plieger, Paul G.; Officer, David L.; Burrell, Anthony K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m478 - m479
• a: 17.8146 ± 0.0002 Å
• b: 13.165 ± 0.0002 Å
• c: 20.2171 ± 0.0004 Å
• α: 90°
• β: 90.84 ± 0.01°
• γ: 90°
• Cell volume: 4740.99 ± 0.13 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.124
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes