Information card for entry 7013504

Structure parameters

• Formula: C49 H79 Cu4 N8 O32.5 P2
• Calculated formula: C49 H32 Cu4 N8 O32.5 P2
• Title of publication: Synthesis and structural and magnetic characterisation of tetranuclear Cu(ii) complexes possessing novel [Cu4(�4-PO4)2(�2-CO3)] butterfly cores that exhibit supramolecular isomerismElectronic supplementary information (ESI) available: Figs. S1?3: Selected views of the 3D H-bonded water networks encapsulating 1, 1a and 2 showing oxygen?oxygen close contacts. See http://www.rsc.org/suppdata/dt/b3/b309275e/
• Authors of publication: Doyle, Robert P.; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.; Nieuwenhuyzen, Mark
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4230
• a: 12.481 ± 0.0017 Å
• b: 14.7144 ± 0.0018 Å
• c: 20.655 ± 0.003 Å
• α: 97.999 ± 0.01°
• β: 100.838 ± 0.01°
• γ: 114.495 ± 0.01°
• Cell volume: 3288.8 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.1104
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No