Information card for entry 7244020

Structure parameters

• Formula: C52 H98 Cu N24 O128 Si3 W36
• Calculated formula: C52 H98 Cu N24 O128 Si3 W36
• Title of publication: A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties
• Authors of publication: Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 587 - 600
• a: 14.767 ± 0.003 Å
• b: 16.296 ± 0.003 Å
• c: 18.365 ± 0.003 Å
• α: 71.143 ± 0.004°
• β: 87.189 ± 0.004°
• γ: 84.839 ± 0.004°
• Cell volume: 4164.3 ± 1.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No