Information card for entry 7102534

Structure parameters

• Common name: (hexakis-(N-(carboxymethyl)-N-(2-carboxyphenyl)glycinato)- tris(methanol)-nonacopper(ii)) hexamehanol solvate
• Chemical name: [hexakis-{N-(carboxymethyl)-N- (2-carboxyphenyl)glycinato}-tris(methanol)-nonacopper(II)] hexamehanol solvate
• Formula: C78 H96 Cu9 N6 O48
• Calculated formula: C78 H66 Cu9 N6 O48
• Title of publication: A novel nonanuclear CuII carboxylate-bridged cluster aggregate with an S= 7/2 ground spin state.
• Authors of publication: Murugesu, Muralee; King, Philippa; Clérac, Rodolphe; Anson, Christopher E; Powell, Annie K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 740 - 741
• a: 12.6762 ± 0.0009 Å
• b: 17.3686 ± 0.0011 Å
• c: 21.368 ± 0.0018 Å
• α: 90°
• β: 95.453 ± 0.009°
• γ: 90°
• Cell volume: 4683.3 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No