Information card for entry 7239349

Structure parameters

• Formula: C78.4 H94.6 Cl8 N16 Ni4 O6.9
• Calculated formula: C78.4 H94.6 Cl8 N16 Ni4 O6.9
• 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: 11.916 ± 0.0015 Å
• b: 12.3755 ± 0.0014 Å
• c: 15.7457 ± 0.0019 Å
• α: 77.888 ± 0.004°
• β: 73.973 ± 0.003°
• γ: 83.045 ± 0.003°
• Cell volume: 2177.1 ± 0.5 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 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: 0.1397
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No