Information card for entry 4075699

Structure parameters

• Formula: C53 H54 Cl2 N2 P Zr
• Calculated formula: C53 H53 Cl2 N2 P Zr
• 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: 44.638 ± 0.002 Å
• b: 10.8958 ± 0.0005 Å
• c: 19.4505 ± 0.0009 Å
• α: 90°
• β: 94.334 ± 0.002°
• γ: 90°
• Cell volume: 9433 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No