Information card for entry 7112065

Structure parameters

• Common name: crmpp0214
• Formula: C48 H45 Cl N4 O2 Zr
• Calculated formula: C48 H45 Cl N4 O2 Zr
• 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: 12.6629 ± 0.0009 Å
• b: 14.2309 ± 0.001 Å
• c: 14.4202 ± 0.0011 Å
• α: 62.452 ± 0.004°
• β: 66.032 ± 0.004°
• γ: 88.472 ± 0.004°
• Cell volume: 2063.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No