Information card for entry 7713058

Structure parameters

• Formula: C53 H60 N8 O13 P4 Pd
• Calculated formula: C53 H60 N8 O13 P4 Pd
• Title of publication: An Anionic Porphyrinylphosphonate‐Based Hydrogen-Bonded Organic Framework: Optimization of the Proton Conductivity through the Exchange of Counterions
• Authors of publication: Zhigileva, Ekaterina A.; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Chernyshev, Vladimir V.; Senchikhin, Ivan N.; Kovalenko, Konstantin A.; Stenina, Irina A.; Yaroslavtsev, Andrey B.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.0985 ± 0.0007 Å
• b: 13.8588 ± 0.0007 Å
• c: 17.855 ± 0.0009 Å
• α: 70.315 ± 0.002°
• β: 82.445 ± 0.002°
• γ: 78.492 ± 0.002°
• Cell volume: 2983.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No