Information card for entry 1550362

Structure parameters

• Chemical name: [2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyaninato]zinc(II) bis[(5,10,15,20-tetraphenylporphyrinato)zinc(II)] chloroform tetrasolvate
• Formula: C188 H140 Cl12 N16 O8 Zn3
• Calculated formula: C188 H140 Cl12 N16 O8 Zn3
• Title of publication: Construction of a supramolecule comprising [2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyaninato]zinc(II) and (5,10,15,20-tetraphenylporphyrinato)zinc(II)
• Authors of publication: Makino, Masatomo; Matsubayashi, Kazuhiko; Kodama-Oda, Yukiko; Imawaka, Naoto; Mizuno, Nobuhiro; Kumasaka, Takashi; Yoshino, Katsumi
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: x181741
• a: 20.216 ± 0.004 Å
• b: 21.275 ± 0.002 Å
• c: 20.821 ± 0.0017 Å
• α: 90°
• β: 115.414 ± 0.013°
• γ: 90°
• Cell volume: 8088 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes