Information card for entry 4309006

Structure parameters

• Formula: C32 H84 Cu2 N4 O26 V8
• Calculated formula: C32 H80 Cu2 N4 O26 V8
• Title of publication: Cyclic Polyvanadates Incorporating Template Transition Metal Cationic Species: Synthesis and Structures of Hexavanadate [PdV6O18]4-, Octavanadate [Cu2V8O24]4-, and Decavanadate [Ni4V10O30(OH)2(H2O)6]4-
• Authors of publication: Taisei Kurata; Akira Uehara; Yoshihito Hayashi; Kiyoshi Isobe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2524 - 2530
• a: 13.7401 ± 0.0011 Å
• b: 22.488 ± 0.002 Å
• c: 18.5046 ± 0.0015 Å
• α: 90°
• β: 94.058 ± 0.002°
• γ: 90°
• Cell volume: 5703.4 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections: 0.833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No