Information card for entry 7047156

Structure parameters

• Formula: C42 H38 Hf N2 O6
• Calculated formula: C42 H38 Hf N2 O6
• Title of publication: Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.
• Authors of publication: Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 11245 - 11252
• a: 10.117 ± 0.0002 Å
• b: 29.0237 ± 0.0007 Å
• c: 12.8277 ± 0.0003 Å
• α: 90°
• β: 106.436 ± 0.003°
• γ: 90°
• Cell volume: 3612.71 ± 0.15 ų
• Cell temperature: 99.99 ± 0.14 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No