Information card for entry 4340045

Structure parameters

• Formula: C62 H88 Hf N4 O4
• Calculated formula: C62 H88 Hf N4 O4
• Title of publication: Redox and luminescent properties of robust and air-stable N-heterocyclic carbene group 4 metal complexes.
• Authors of publication: Romain, Charles; Choua, Sylvie; Collin, Jean-Paul; Heinrich, Martine; Bailly, Corinne; Karmazin-Brelot, Lydia; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7371 - 7376
• a: 14.026 ± 0.002 Å
• b: 15.162 ± 0.002 Å
• c: 17.507 ± 0.002 Å
• α: 110.934 ± 0.003°
• β: 101.302 ± 0.003°
• γ: 102.785 ± 0.003°
• Cell volume: 3232.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No