Information card for entry 7241318

Structure parameters

• Formula: C48 H56 N3 Na Ni4 O19 P3
• Calculated formula: C48 H56 N3 Na Ni4 O19 P3
• Title of publication: Octanuclear nickel phosphonate core forming extended and molecular structures
• Authors of publication: Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 15.476 ± 0.001 Å
• b: 24.1101 ± 0.0017 Å
• c: 18.3598 ± 0.0013 Å
• α: 90°
• β: 113.266 ± 0.002°
• γ: 90°
• Cell volume: 6293.5 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0893
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No