Information card for entry 1557772

Structure parameters

• Formula: C95.93 H98.19 Cl12 N15 O2.74 Pd6
• Calculated formula: C96.016 H98.264 Cl12 N15 O2.752 Pd6
• Title of publication: Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions.
• Authors of publication: Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko
• Journal of publication: Faraday discussions
• Year of publication: 2021
• Journal volume: 225
• Pages of publication: 197 - 209
• a: 19.5269 ± 0.0016 Å
• b: 51.758 ± 0.004 Å
• c: 14.2813 ± 0.0012 Å
• α: 90°
• β: 91.0232 ± 0.001°
• γ: 90°
• Cell volume: 14431 ± 2 ų
• Cell temperature: 94 K
• Ambient diffraction temperature: 94 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1962
• Residual factor for significantly intense reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.322
• Weighted residual factors for all reflections included in the refinement: 0.3931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No