Information card for entry 7008853

Structure parameters

• Formula: C40 H64 N8 O30 P4 Zn4
• Calculated formula: C40 H64 N8 O30 P4 Zn4
• SMILES: P12(=O)O[Zn]3([OH2])(OP(=O)(O2)O[Zn]24([O]1[Zn]15([n]6c(c7cccc[n]17)cccc6)[O]4P1(=O)O[Zn]4([n]6ccccc6c6cccc[n]46)([OH2])OP(=O)(O1)O5)[n]1ccccc1c1cccc[n]21)[n]1c(c2cccc[n]32)cccc1.O.O.O.O.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: 10.038 ± 0.0011 Å
• b: 21.299 ± 0.002 Å
• c: 13.6812 ± 0.0015 Å
• α: 90°
• β: 93.068 ± 0.002°
• γ: 90°
• Cell volume: 2920.8 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No