Information card for entry 7013503

Structure parameters

• Formula: C41 H67 Cu4 N8 O26.5 P2
• Calculated formula: C41 H32 Cu4 N8 O26.5 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: 14.25 ± 0.009 Å
• b: 18.493 ± 0.012 Å
• c: 21.397 ± 0.014 Å
• α: 90°
• β: 99.3 ± 0.02°
• γ: 90°
• Cell volume: 5565 ± 6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No