Information card for entry 7107877

Structure parameters

• Formula: C98 H80 Cl2 N4 O11
• Calculated formula: C92 H64 Cl2 N4 O8
• 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: 15.0586 ± 0.0016 Å
• b: 15.905 ± 0.0018 Å
• c: 18.483 ± 0.002 Å
• α: 96.275 ± 0.002°
• β: 98.087 ± 0.001°
• γ: 109.431 ± 0.001°
• Cell volume: 4075 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No