Information card for entry 7244635

Structure parameters

• Formula: C54 H104 Cl2 Cu3 Mo48 N24 O166 P4
• Calculated formula: C54 H104 Cl2 Cu3 Mo48 N24 O166 P4
• Title of publication: Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties
• Authors of publication: Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 19.1589 ± 0.0006 Å
• b: 25.1934 ± 0.0008 Å
• c: 21.8895 ± 0.0007 Å
• α: 90°
• β: 94.505 ± 0.001°
• γ: 90°
• Cell volume: 10532.9 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• 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: 0.1216
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1301
• 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: No
• Has Fobs: No