Information card for entry 7110284

Structure parameters

• Common name: (dotrikonta(mu3-hydroxy)penta(mu-hydroxy)tri(mu-methoxy) tetrachloro-octakis-(N,N-bis-(2-carboxyethyl)glycinato)-tetraaquo- hexatrikontacopper(ii))(hendecachlorotriaquo pentapotassiumdicopper(i)) 22(methanol) solvate
• Chemical name: [dotrikonta(μ3-hydroxy)penta(μ-hydroxy)tri(μ-methoxy) tetrachloro-octakis-{N,N-bis-(2-carboxyethyl)glycinato}- tetraaquo-hexatrikontacopper(II)][hendecachlorotriaquo pentapotassiumdicopper(I)] 22(methanol) solvate
• Formula: C89 H228 Cl15 Cu38 K5 N8 O117
• Calculated formula: C79 H128 Cl15 Cu38 K5 N8 O118
• Title of publication: A new type of oxygen bridged CuII36 aggregate formed around a central {KCl6}5? unitElectronic supplementary information (ESI) available: magnetic data as ? versus T and EPR data. See http://www.rsc.org/suppdata/cc/b4/b403735a/
• Authors of publication: Murugesu, Muralee; Cl�rac, Rodolphe; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 14
• Pages of publication: 1598 - 1599
• a: 17.2684 ± 0.0013 Å
• b: 17.3396 ± 0.0013 Å
• c: 18.421 ± 0.0013 Å
• α: 75.531 ± 0.001°
• β: 70.208 ± 0.001°
• γ: 79.806 ± 0.001°
• Cell volume: 4999.4 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No