Information card for entry 7210392

Structure parameters

• Common name: [Cu5(L)4(py)2](ClO4)2.py
• Formula: C51 H55 Cl2 Cu5 N11 O16
• Calculated formula: C51 H55 Cl2 Cu5 N11 O16
• 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: 11.283 ± 0.002 Å
• b: 11.482 ± 0.002 Å
• c: 13.688 ± 0.003 Å
• α: 72.42 ± 0.03°
• β: 80.58 ± 0.03°
• γ: 61.8 ± 0.03°
• Cell volume: 1489.4 ± 0.7 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: 0.045
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No