Information card for entry 4331085

Structure parameters

• Formula: C43 H59 B Cl8 N4 Si2 Zr
• Calculated formula: C43 H59 B Cl8 N4 Si2 Zr
• 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: 24.293 ± 0.002 Å
• b: 24.293 ± 0.002 Å
• c: 34.827 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20553 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No