Information card for entry 7106974

Structure parameters

• Formula: C24 H24 B Cl7 Cu N5 O3
• Calculated formula: C24 H24 B Cl7 Cu N5 O3
• Title of publication: 'Twisted' scorpionates: synthesis of a tris(2-pyridonyl)borate (Thp) ligand; lessons in the requirements for successful B(L2D)3 type ligands
• Authors of publication: Philip J. Bailey; Nicola L. Bell; Lim Li Gim; Tai Yucheng; Nicholas Funnell; Fraser White; Simon Parsons
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11659
• a: 8.5238 ± 0.0002 Å
• b: 16.9403 ± 0.0005 Å
• c: 21.7245 ± 0.0006 Å
• α: 90°
• β: 91.247 ± 0.003°
• γ: 90°
• Cell volume: 3136.18 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.1444
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No