Information card for entry 7021728

Structure parameters

• Formula: C12 H57 Cu Mo16 N3 Na5 O76 V2
• Calculated formula: C12 H30 Cu0.09 Mo16 N3 Na1.01 O71.01 V2
• Title of publication: 3D pure inorganic framework based on polymolybdovanadate possessing photoelectric properties.
• Authors of publication: Li, Fengyan; Meng, Fanzhi; Ma, Lifang; Xu, Lin; Sun, Zhixia; Gao, Qiao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12079 - 12082
• a: 37.0306 ± 0.0007 Å
• b: 37.0306 ± 0.0007 Å
• c: 18.3039 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21736.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No