Information card for entry 7239348

Structure parameters

• Formula: C73 H72 Cl8 Mn4 N16 O3
• Calculated formula: C73 H72 Cl8 Mn4 N16 O3
• 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: 9.65 ± 0.005 Å
• b: 12.313 ± 0.007 Å
• c: 17.436 ± 0.01 Å
• α: 87.08 ± 0.04°
• β: 76.79 ± 0.03°
• γ: 87.47 ± 0.03°
• Cell volume: 2013.2 ± 1.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.2197
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.2866
• Weighted residual factors for all reflections included in the refinement: 0.3486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No