Information card for entry 4326751

Structure parameters

• Formula: C44 H63 N4 P Zr
• Calculated formula: C44 H63 N4 P Zr
• Title of publication: New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex
• Authors of publication: Ting Zhu; Truman C. Wambach; Michael D. Fryzuk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11212 - 11221
• a: 10.9989 ± 0.0004 Å
• b: 17.8519 ± 0.0006 Å
• c: 21.476 ± 0.0009 Å
• α: 99.108 ± 0.002°
• β: 99.135 ± 0.002°
• γ: 90.293 ± 0.002°
• Cell volume: 4108.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No