Information card for entry 4331083

Structure parameters

• Formula: C102 H102 B2 F50 N8 Si Zr2
• Calculated formula: C102 H102 B2 F50 N8 Si Zr2
• Title of publication: Cationic Zirconium Hydrides Supported by an NNNN-Type Macrocyclic Ligand: Synthesis, Structure, and Reactivity
• Authors of publication: Heiko Kulinna; Thomas P. Spaniol; Laurent Maron; Jun Okuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12462 - 12472
• a: 24.6582 ± 0.0017 Å
• b: 18.4059 ± 0.0013 Å
• c: 25.2129 ± 0.0018 Å
• α: 90°
• β: 106.717 ± 0.002°
• γ: 90°
• Cell volume: 10959.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1221
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No