Information card for entry 2213189

Structure parameters

• Chemical name: (2^3^-<i>tert</i>-Butyl-5,10,15,20-tetraphenylazuliporphyrinato)palladium(II) dichloromethane solvate
• Formula: C55 H41 Cl2 N3 Pd
• Calculated formula: C55 H41 Cl2 N3 Pd
• SMILES: [Pd]123N4C5=C(C6=[N]2C(=C(c2c1c(C(=C1[N]3=C(C(=C4C=C5)c3ccccc3)C=C1)c1ccccc1)c1c2ccc(cc1)C(C)(C)C)c1ccccc1)C=C6)c1ccccc1.ClCCl
• Title of publication: (2^3^-<i>tert</i>-Butyl-5,10,15,20-tetraphenylazuliporphyrinato)palladium(II) dichloromethane solvate
• Authors of publication: Gregory M. Ferrence; Timothy D. Lash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1351 - m1353
• a: 9.4468 ± 0.001 Å
• b: 14.1354 ± 0.0015 Å
• c: 17.5228 ± 0.0019 Å
• α: 110.147 ± 0.0016°
• β: 98.3972 ± 0.0017°
• γ: 100.614 ± 0.0016°
• Cell volume: 2102.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes