Information card for entry 4315813

Structure parameters

• Formula: C54 H57.65 Cu3 N6 O8.82
• Calculated formula: C54 H56 Cu3 N6 O8.83
• Title of publication: Multidentate Ligands for the Synthesis of Multimetallic Complexes. 2. Formation of a Planar Cu4OH Motif
• Authors of publication: Abdullahi Mustapha; John Reglinski; Alan R. Kennedy; David R. Armstrong; Jörg Sassmannshausen; Mark Murrie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5350 - 5352
• a: 12.0221 ± 0.0007 Å
• b: 13.161 ± 0.0007 Å
• c: 16.4888 ± 0.0009 Å
• α: 77.887 ± 0.003°
• β: 86.083 ± 0.003°
• γ: 85.517 ± 0.003°
• Cell volume: 2539.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.6911 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No