Information card for entry 4338317

Structure parameters

• Chemical name: tetrakis(imidazole)bis[imidazoleoxidodiperoxidovanadato(V)]cadmium
• Formula: C18 H24 Cu N12 O10 V2
• Calculated formula: C18 H24 Cu N12 O10 V2
• SMILES: [O](=[V]12(OO2)([n]2c[nH]cc2)OO1)[Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)(O=[V]12(OO1)(OO2)[n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[nH]cc1
• Title of publication: Peroxido Complexes of Vanadium(V) as Ligands. Crystal Structures of [Cd(NH3)6][{VO(O2)2(OH)}2{μ-Cd(NH3)4}] and [{VO(O2)2(Im)}2{μ-Cu(Im)4}] (Im = Imidazole).
• Authors of publication: Bystrický, Roman; Antal, Peter; Tatiersky, Jozef; Schwendt, Peter; Gyepes, Róbert; Zák, Zdirad
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5037 - 5043
• a: 8.3596 ± 0.0003 Å
• b: 8.9885 ± 0.0003 Å
• c: 9.9801 ± 0.0003 Å
• α: 87.287 ± 0.002°
• β: 66.7094 ± 0.0016°
• γ: 88.053 ± 0.002°
• Cell volume: 687.93 ± 0.04 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No