Information card for entry 4328666

Structure parameters

• Formula: C48 H61 B2 F12 N15 P2 Ru2 S6
• Calculated formula: C48 H61 B2 F12 N15 P2 Ru2 S6
• Title of publication: Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands
• Authors of publication: Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3677 - 3689
• a: 10.0598 ± 0.0003 Å
• b: 16.6932 ± 0.0004 Å
• c: 19.9429 ± 0.0005 Å
• α: 76.356 ± 0.001°
• β: 85.925 ± 0.001°
• γ: 75.842 ± 0.001°
• Cell volume: 3155.33 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No