Information card for entry 2231371

Structure parameters

• Chemical name: (2,3,7,8,12,13,17,18-Octaethyl-5-phenyl-porphyrinato)platinum(II)
• Formula: C42 H48 N4 Pt
• Calculated formula: C42 H48 N4 Pt
• SMILES: [Pt]123n4c5=Cc6[n]3c(=Cc3n2c(C=c2[n]1c(C(=c4c(c5CC)CC)c1ccccc1)c(c2CC)CC)c(c3CC)CC)c(c6CC)CC
• Title of publication: (2,3,7,8,12,13,17,18-Octaethyl-5-phenylporphyrinato)platinum(II)
• Authors of publication: Senge, Mathias O.; Richter, Julia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1077
• a: 17.1661 ± 0.0006 Å
• b: 8.9301 ± 0.0003 Å
• c: 22.8471 ± 0.0008 Å
• α: 90°
• β: 99.367 ± 0.001°
• γ: 90°
• Cell volume: 3455.6 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.032
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes