Information card for entry 7239350

Structure parameters

• Formula: C73 H79 Cl8 Cu4 N16 O4.5
• Calculated formula: C73 H79 Cl8 Cu4 N16 O4.5
• Title of publication: Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand
• Authors of publication: Gobeze, Worku A.; Brooker, Sally
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 46
• Pages of publication: 24307
• a: 12.727 ± 0.004 Å
• b: 13.733 ± 0.002 Å
• c: 13.977 ± 0.002 Å
• α: 118.696 ± 0.008°
• β: 99.214 ± 0.012°
• γ: 98.49 ± 0.012°
• Cell volume: 2042.9 ± 0.8 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No