Information card for entry 7110283

Structure parameters

• Common name: Tetra(methanol)tetrapotassium (dotrikonta(\3-hydroxy)tetra(\- hydroxy) tetra(\-methoxy)dodecachlorooctakis-(N,N-bis-(2- carboxyethyl)glycinato)-pentaaquohexatrikontacopper(ii)potassium) chloride 16(methanol) solvate
• Chemical name: Tetra(methanol)tetrapotassium [dotrikonta(\3-hydroxy)tetra(\-hydroxy) tetra(\-methoxy)dodecachlorooctakis-{N,N-bis-(2-carboxyethyl)glycinato}- pentaaquohexatrikontacopper(II)potassium] chloride 16(methanol) solvate
• Formula: C88 H202 Cl13 Cu36 K5 N8 O113
• Calculated formula: C84 H116 Cl13 Cu36 K5 N8 O120
• 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: 28.678 ± 0.003 Å
• b: 20.6184 ± 0.0013 Å
• c: 16.8709 ± 0.0016 Å
• α: 90°
• β: 105.883 ± 0.011°
• γ: 90°
• Cell volume: 9594.8 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1862
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.2612
• Weighted residual factors for all reflections included in the refinement: 0.3338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No