Information card for entry 2232860

Structure parameters

• Chemical name: {5,10,15,20-Tetrakis[4-(octyloxy)phenyl]porphyrinato}copper(II)
• Formula: C76 H92 Cu N4 O4
• Calculated formula: C76 H92 Cu N4 O4
• Title of publication: {5,10,15,20-Tetrakis[4-(octyloxy)phenyl]porphyrinato}copper(II)
• Authors of publication: Yang, De-Liang; Zhao, Hong-Bin; Liao, Jun-Xu; Chen, Liang; Wang, Bang-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1673
• a: 16.0521 ± 0.0016 Å
• b: 19.2628 ± 0.0018 Å
• c: 10.4767 ± 0.001 Å
• α: 90°
• β: 90.024 ± 0.002°
• γ: 90°
• Cell volume: 3239.5 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes