Information card for entry 2219973

Structure parameters

• Chemical name: (Benzophenone imine-κ<i>N</i>)chlorido(hydridotripyrazolylborato) (triphenylphosphine)ruthenium(II) diethyl ether solvate
• Formula: C44 H46 B Cl N7 O P Ru
• Calculated formula: C44 H46 B Cl N7 O P Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)[NH]=C(c1ccccc1)c1ccccc1.O(CC)CC
• Title of publication: (Benzophenone imine-κ<i>N</i>)chlorido(hydridotripyrazolylborato)(triphenylphosphine)ruthenium(II) diethyl ether solvate
• Authors of publication: Tong, Hung-Chun; Hsu, Chih-Yung Chen; Lo, Yih-Hsing; Lin, Chia-Her; Wang, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1453
• a: 9.3768 ± 0.0001 Å
• b: 30.1803 ± 0.0005 Å
• c: 14.9092 ± 0.0002 Å
• α: 90°
• β: 96.126 ± 0.001°
• γ: 90°
• Cell volume: 4195.13 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes