Information card for entry 7004835

Structure parameters

• Formula: C47 H53 B F12 N8 P2 Ru S3
• Calculated formula: C47 H53 B F12 N8 P2 Ru S3
• Title of publication: Tripodal borate ligands from tris(dimethylamino)borane: the first synthesis of a chiral tris(methimazolyl)borate ligand, and the crystal structure of a single diastereomer pseudo-C3-symmetric Ru(II) complex.
• Authors of publication: Bailey, Philip J.; McCormack, Chiara; Parsons, Simon; Rudolphi, Felix; Perucha, Alejandro Sanchez; Wood, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 476 - 480
• a: 12.264 ± 0.0004 Å
• b: 13.959 ± 0.0005 Å
• c: 30.07 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5147.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No