Information card for entry 4314345

Structure parameters

• Formula: C67 H71 B Co N4 O2
• Calculated formula: C67 H71 B Co N4 O2
• Title of publication: Temperature-Induced Solid-State Valence Tautomeric Interconversion in Two Cobalt-Schiff Base Diquinone Complexes
• Authors of publication: Olivier Cador; Françoise Chabre; Andrea Dei; Claudio Sangregorio; Joris Van Slageren; Maria G. F. Vaz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6432 - 6440
• a: 41.396 ± 0.002 Å
• b: 14.383 ± 0.001 Å
• c: 20.626 ± 0.001 Å
• α: 90 ± 0.002°
• β: 90 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 12280.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No