Information card for entry 4316259

Structure parameters

• Formula: C23 H32 N4 O2
• Calculated formula: C23 H32 N4 O2
• SMILES: O(c1c(C(n2nc(cc2)C(C)(C)C)n2nc(cc2)C(C)(C)C)cc(OC)cc1)C
• Title of publication: Para-Quinone-Containing Bis(pyrazol-1-yl)methane Ligands: Coordination Behavior Toward CoII and a C-H Activation Reaction with CeIV
• Authors of publication: Florian Blasberg; Jan W. Bats; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7435 - 7445
• a: 9.591 ± 0.0018 Å
• b: 11.048 ± 0.002 Å
• c: 12.917 ± 0.004 Å
• α: 71.396 ± 0.011°
• β: 71.334 ± 0.016°
• γ: 65.837 ± 0.013°
• Cell volume: 1154.8 ± 0.5 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No