Information card for entry 7008852

Structure parameters

• Formula: C10 H30 Cu N2 Na2 O18 P2
• Calculated formula: C10 H30 Cu N2 Na2 O18 P2
• SMILES: [Cu]12([n]3c(c4[n]1cccc4)cccc3)(OP(=O)(OP(=O)(O2)[O-])[O-])[OH2].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Polynuclear complexes with bridging pyrophosphate ligands: synthesis and characterisation of {[(bipy)Cu(H2O)(µ-P2O7)Na2(H2O)6]·4H2O}, {[(bipy)Zn-(H2O)(µ-P2O7)Zn(bipy)]2·14H2O} and {[(bipy)(VO)2]2(µ-P2O7)]·5H2O}
• Authors of publication: Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3745
• a: 7.0076 ± 0.0005 Å
• b: 11.0802 ± 0.0008 Å
• c: 16.0917 ± 0.0012 Å
• α: 91.725 ± 0.001°
• β: 97.82 ± 0.001°
• γ: 90.362 ± 0.001°
• Cell volume: 1237.2 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No