Information card for entry 7229554

Structure parameters

• Chemical name: [Ni2.5(TCPP)(u-O)(H2O)2].nD
• Formula: C96 H48 N8 Ni5 O21
• Calculated formula: C96 H48 N8 Ni5 O21
• Title of publication: Highly thermally stable heterogeneous catalysts: study of 0D and 3D porphyrinic MOFs
• Authors of publication: Amayuelas López, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Arriortua, María Isabel
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 17.64 ± 0.004 Å
• b: 33.509 ± 0.002 Å
• c: 16.6141 ± 0.0017 Å
• α: 90°
• β: 103.793 ± 0.014°
• γ: 90°
• Cell volume: 9537 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2522
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No