Information card for entry 4311700

Structure parameters

• Formula: C37 H41 B F4 N2 O6 P3 Ru2
• Calculated formula: C37 H42 B F4 N2 O6 P3 Ru2
• SMILES: C(#[O])[Ru]1234(C#[O])[N](O[Ru]3([H]4)(C#[O])(C#[O])([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P]2(C(C)(C)C)C(C)(C)C)=NO.[B](F)(F)(F)[F-]
• Title of publication: Reaction Properties of the trans-Hyponitrite Complex [Ru2(CO)4(μ-H)(μ-PBut2)(μ-Ph2PCH2PPh2)(μ-η2-ONNO)]
• Authors of publication: Hans-Christian Böttcher; Christoph Wagner; Karl Kirchner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6294 - 6299
• a: 17.25 ± 0.003 Å
• b: 12.404 ± 0.002 Å
• c: 19.829 ± 0.004 Å
• α: 90°
• β: 96.18 ± 0.02°
• γ: 90°
• Cell volume: 4218.1 ± 1.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 8
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No