Information card for entry 4325117

Structure parameters

• Formula: C51 H90 Cl Co Hf I0.02 N4.97 O1.5 P3
• Calculated formula: C51 H90 Cl Co Hf I0.0153 N4.9694 O1.5 P3
• Title of publication: Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt
• Authors of publication: Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4647 - 4655
• a: 27.9112 ± 0.0011 Å
• b: 15.4306 ± 0.0006 Å
• c: 26.3171 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11334.4 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No