Information card for entry 7227265

Structure parameters

• Formula: C384 H324 N12 O12 Zn2
• Calculated formula: C384 H324 N12 O12 Zn2
• Title of publication: Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative
• Authors of publication: Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2016
• a: 23.4161 ± 0.0015 Å
• b: 37.487 ± 0.002 Å
• c: 32.528 ± 0.002 Å
• α: 90°
• β: 92.683 ± 0.003°
• γ: 90°
• Cell volume: 28522 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2956
• Weighted residual factors for all reflections included in the refinement: 0.3372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No