Information card for entry 4300164

Structure parameters

• Chemical name: tris(acetonitrile)-(hydrogen tris(pyrazol-1-yl)borate)-ruthenium(ii) hexafluorophosphate dichloromethane/diethylether solvate
• Formula: C15 H19 B F6 N9 P Ru
• Calculated formula: C23.0833 H19 B F4 N9 P0.666667 Ru
• Title of publication: Comparing the Isoelectronic Complexes [RuTp(CH3CN)3]PF6 (Tp = Hydridotris(pyrazolyl)borate) and [RuCp(CH3CN)3]PF6. Structure and Acetonitrile Exchange Kinetics
• Authors of publication: Eva Rüba; Walter Simanko; Kurt Mereiter; Roland Schmid; Karl Kirchner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 382 - 384
• a: 18.726 ± 0.008 Å
• b: 18.726 ± 0.008 Å
• c: 13.944 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4235 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 188
• Hermann-Mauguin space group symbol: P -6 c 2
• Hall space group symbol: P -6c 2
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No