Information card for entry 7241568

Structure parameters

• Formula: C72 H114 N20 Ni12 O78 P2 W18
• Calculated formula: C72 N20 Ni12 O78 P2 W18
• Title of publication: Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties
• Authors of publication: Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 21.851 ± 0.002 Å
• b: 21.0544 ± 0.0019 Å
• c: 16.796 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7727.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No