Information card for entry 7028807

Structure parameters

• Formula: C24 H16 Cl2 Cu2 N4 O36 V10
• Calculated formula: C24 H16 Cl2 Cu2 N4 O36 V10
• SMILES: c12c3[n]4cccc3ccc2ccc[n]1[Cu]4(Cl)([OH2])[OH2].O1[V]234([O]567[V]89([O]%10[V]%11%125(O[V]5%13(O[V]%14%15%10([O]8[V]8%10%166O[V]1(=O)(O9)O[V]17(=O)([O]8[V]6([O]%11%15%10[V](O5)(O%14)(O6)(=O)O%16)([O]%121)(O%13)=O)O3)=O)=O)O4)(O2)=O)=O.O.O.c12c3c4ccc[n]3[Cu]([n]2cccc1cc4)(Cl)([OH2])[OH2].O.O
• Title of publication: Ligand mediated valence fluctuation of copper in new hybrid materials constructed from decavanadate and a Cu(1,10-phenanthroline) complex.
• Authors of publication: Iyer, Abishek K.; Roy, Soumyabrata; Haridasan, Remesh; Sarkar, Sumanta; Peter, Sebastian C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2153 - 2160
• a: 8.3886 ± 0.0003 Å
• b: 10.4266 ± 0.0004 Å
• c: 13.586 ± 0.0005 Å
• α: 92.44 ± 0.002°
• β: 92.315 ± 0.002°
• γ: 98.16 ± 0.002°
• Cell volume: 1173.9 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No