Information card for entry 4315814

Structure parameters

• Formula: C62 H68 Br6 Cu4 N10 O12
• Calculated formula: C62 H67 Br6 Cu4 N10 O12
• 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: 20.2739 ± 0.0004 Å
• b: 12.87 ± 0.0002 Å
• c: 26.2491 ± 0.0006 Å
• α: 90°
• β: 98.759 ± 0.001°
• γ: 90°
• Cell volume: 6769.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1342
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No