Information card for entry 7038049

Structure parameters

• Formula: C46 H82 Li4 N2 P4
• Calculated formula: C46 H82 Li4 N2 P4
• SMILES: c1(cccc([n]12)C=P1(C(C)(C)C)C(C)(C)C)C=P(C(C)(C)C)(C(C)(C)C)[Li]12.[Li+]
• 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: 16.4117 ± 0.0013 Å
• b: 8.6059 ± 0.0006 Å
• c: 22.4415 ± 0.0014 Å
• α: 90°
• β: 125.229 ± 0.004°
• γ: 90°
• Cell volume: 2589.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No