Information card for entry 7031576

Structure parameters

• Formula: C43.5 H32 Cl F23 N2 O5 P3 Ru S
• Calculated formula: C40 H21 Cl F23 N2 O3 P3 Ru S
• Title of publication: Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.
• Authors of publication: Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13410 - 13423
• a: 16.2162 ± 0.0006 Å
• b: 18.2514 ± 0.0007 Å
• c: 20.5416 ± 0.0007 Å
• α: 109.487 ± 0.001°
• β: 94.687 ± 0.001°
• γ: 113.298 ± 0.001°
• Cell volume: 5101.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No