Information card for entry 7112062

Structure parameters

• Common name: MP0229
• Formula: C44 H37 Cl Hf N4 O
• Calculated formula: C44 H37 Cl1.005 Hf N4 O
• Title of publication: Synthesis, structure and reactivity of group 4 corrole complexes
• Authors of publication: Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2922
• a: 30.972 ± 0.003 Å
• b: 15.6087 ± 0.0011 Å
• c: 18.9592 ± 0.0013 Å
• α: 90°
• β: 93.149 ± 0.004°
• γ: 90°
• Cell volume: 9151.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No