Information card for entry 4075698

Structure parameters

• Formula: C46 H55 Li2 N2 O2 P
• Calculated formula: C46 H55 Li2 N2 O2 P
• SMILES: [P]1(c2c([N]3(c4c(cc(cc4C)C)C)[Li]([O]4CCCC4)[N](c4c(cc(cc4C)C)C)(c4ccc(cc14)C)[Li]3[O]1CCCC1)ccc(c2)C)c1ccccc1
• Title of publication: A New Arene-Bridged Diamidophosphine Ligand and Its Coordination Chemistry with Zirconium(IV)
• Authors of publication: MacLachlan, Erin A.; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1112
• a: 12.0195 ± 0.0011 Å
• b: 24.292 ± 0.002 Å
• c: 14.2557 ± 0.0011 Å
• α: 90°
• β: 102.308 ± 0.004°
• γ: 90°
• Cell volume: 4066.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No