Information card for entry 7210394

Structure parameters

• Common name: [Cu5(L)4(4,4-bpy)3](ClO4)2.H2O
• Formula: C66 H64 Cl2 Cu5 N14 O17
• Calculated formula: C66 H64 Cl2 Cu5 N14 O17
• Title of publication: Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks
• Authors of publication: McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 6672
• a: 11.3776 ± 0.0007 Å
• b: 12.6211 ± 0.0009 Å
• c: 12.6793 ± 0.0008 Å
• α: 90.229 ± 0.006°
• β: 107.558 ± 0.006°
• γ: 104.589 ± 0.006°
• Cell volume: 1673.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No