Information card for entry 4309005

Structure parameters

• Formula: C34 H85 N5 O19 Pd V6
• Calculated formula: C34 H83 N5 O18 Pd V6
• SMILES: [Pd]123O[V]4(O[V](O1)(O[V](O[V](O2)(O[V](O3)(O[V](O4)(=O)=O)=O)=O)(=O)=O)=O)=O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
• 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: 29.952 ± 0.004 Å
• b: 12.911 ± 0.002 Å
• c: 13.678 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5289.4 ± 1.3 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No