Information card for entry 7038050

Structure parameters

• Formula: C46 H82 Cl2 Cr3 N2 P4
• Calculated formula: C46 H82 Cl2 Cr3 N2 P4
• Title of publication: Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents.
• Authors of publication: Simler, Thomas; Frison, Gilles; Braunstein, Pierre; Danopoulos, Andreas A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2800 - 2804
• a: 17.0266 ± 0.0014 Å
• b: 18.1629 ± 0.0015 Å
• c: 19.1642 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5926.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No