Information card for entry 7028875

Structure parameters

• Formula: C42 H69 Br2 Co N3 P3 Zr
• Calculated formula: C42 H69 Br2 Co N3 P3 Zr
• SMILES: [Zr]1234([Br][Co]1(Br)([P](N4c1cc(cc(c1)C)C)(C(C)C)C(C)C)[P](N2c1cc(cc(c1)C)C)(C(C)C)C(C)C)[P](N3c1cc(cc(c1)C)C)(C(C)C)C(C)C
• Title of publication: Effect of ligand modification on the reactivity of phosphinoamide-bridged heterobimetallic Zr/Co complexes.
• Authors of publication: Zhou, Wen; Saper, Noam I.; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 1984 - 1989
• a: 12.0391 ± 0.0003 Å
• b: 19.7151 ± 0.0005 Å
• c: 21.9331 ± 0.0006 Å
• α: 90°
• β: 97.684 ± 0.001°
• γ: 90°
• Cell volume: 5159.1 ± 0.2 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 K
• Number of distinct elements: 7
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9491
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No