Information card for entry 8102227

Structure parameters

• Chemical name: [1,4,8,11,15,18,22,25-octahydro-1,4:8,11:15,18:22,25-tetraethano-29H,31H- tetrabenzo[b,g,l,q]porphinato(2-)-κN29,κN30,κN31,κN32]-copper(II) N-methylpyrrolidone trisolvate
• Formula: C59 H63 Cu N7 O3
• Calculated formula: C59 H63 Cu N7 O3
• Title of publication: Crystal structure of [1,4,8,11,15,18,22,25-octahydro-1,4:8,11:15,18:22,25-tetraethano-29H,31H-tetrabenzo[b,g,l,q]porphinato-κN29,κN30,κN31,κN32]-copper(II) N-methylpyrrolidone trisolvate, Cu(C44H36N4) · 3C5H9NO
• Authors of publication: Shinji Aramaki; Yoshimasa Sakai; Hiroyuki Yanagisawa; Jin Mizuguchi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 69
• a: 32.215 ± 0.003 Å
• b: 7.0289 ± 0.0008 Å
• c: 25.735 ± 0.003 Å
• α: 90°
• β: 125.23 ± 0.006°
• γ: 90°
• Cell volume: 4760 ± 1 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No