Information card for entry 7210397

Structure parameters

• Common name: [Cu5]
• Formula: C32 H40 Cl2 Cu5 N8 O21
• Calculated formula: C32 H40 Cl2 Cu5 N8 O20.99
• 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: 11.064 ± 0.0003 Å
• b: 12.275 ± 0.0004 Å
• c: 17.2399 ± 0.0006 Å
• α: 110.321 ± 0.003°
• β: 96.075 ± 0.003°
• γ: 96.316 ± 0.002°
• Cell volume: 2156.1 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0456
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No