Information card for entry 7052399

Structure parameters

• Formula: C41.2 H41.2 Cl3.6 Cu4 N14 O22
• Calculated formula: C41.2 H41.2 Cl3.6 Cu4 N14 O22
• Title of publication: Synthesis of pyridazinyl ligands for multimetallic complexes
• Authors of publication: Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 1498
• a: 8.43 ± 0.002 Å
• b: 10.588 ± 0.003 Å
• c: 16.58 ± 0.004 Å
• α: 85.393 ± 0.004°
• β: 81.475 ± 0.004°
• γ: 84.808 ± 0.004°
• Cell volume: 1454.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.6906 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No