Information card for entry 7102077

Structure parameters

• Formula: C39 H31 N5 O9 Zn2
• Calculated formula: C36 H24 N4 O8 Zn2
• Title of publication: Selective guest sorption in an interdigitated porous framework with hydrophobic pore surfaces
• Authors of publication: Horike, Satoshi; Tanaka, Daisuke; Nakagawa, Keiji; Kitagawa, Susumu
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3395 - 3397
• a: 10.082 ± 0.005 Å
• b: 11.384 ± 0.005 Å
• c: 15.744 ± 0.008 Å
• α: 90°
• β: 103.917 ± 0.008°
• γ: 90°
• Cell volume: 1753.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No