Information card for entry 7024142

Structure parameters

• Formula: C35 H35 B Cl6 N5 O P Ru S3
• Calculated formula: C35 H35 B Cl6 N5 O P Ru S3
• Title of publication: A new hybrid scorpionate ligand: a study of the metal-boron bond within metallaboratrane complexes.
• Authors of publication: Owen, Gareth R.; Gould, P. Hugh; Charmant, Jonathan P. H.; Hamilton, Alex; Saithong, Saowanit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 392 - 400
• a: 16.376 ± 0.003 Å
• b: 10.867 ± 0.002 Å
• c: 24.024 ± 0.005 Å
• α: 90°
• β: 106.38 ± 0.03°
• γ: 90°
• Cell volume: 4101.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.093
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No