Information card for entry 4304130

Structure parameters

• Formula: C57 H95 N6 O P4 Si8 Zr2
• Calculated formula: C57 H95 N6 O P4 Si8 Zr2
• Title of publication: Side-On Bound Dinitrogen Complex of Zirconium Supported by a P2N2 Macrocyclic Ligand
• Authors of publication: Lara Morello; Maria João Ferreira; Brian O. Patrick; Michael D. Fryzuk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1319 - 1323
• a: 12.0869 ± 0.0009 Å
• b: 13.8986 ± 0.001 Å
• c: 22.8739 ± 0.0015 Å
• α: 88.319 ± 0.003°
• β: 75.924 ± 0.003°
• γ: 72.351 ± 0.002°
• Cell volume: 3547.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No