Information card for entry 7107878

Structure parameters

• Formula: C107 H103 Cl2 N4 O18.5
• Calculated formula: C94 H64 Cl2 N4 O12
• Title of publication: Porphyrin nanochannels reinforced by hydrogen bonding
• Authors of publication: Tomoya Ishizuka; Muniappan Sankar; Yusuke Yamada; Shunichi Fukuzumi; Takahiko Kojima
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6481
• a: 20.917 ± 0.004 Å
• b: 21.983 ± 0.004 Å
• c: 22.099 ± 0.004 Å
• α: 90°
• β: 115.546 ± 0.002°
• γ: 90°
• Cell volume: 9168 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1114
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No