Information card for entry 4072770

Structure parameters

• Common name: [Cp*Os(PPh3)H4][BF4]
• Formula: C28 H34 B F4 Os P
• Calculated formula: C28 H34 B F4 Os P
• SMILES: [OsH2]12345([H][H]1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and NMR Studies of [(C5Me5)Os(L)H2(H2)+] Complexes. Evidence of the Adoption of Different Structures by a Dihydrogen Complex in Solution and the Solid State
• Authors of publication: Gross, Christopher L.; Girolami, Gregory S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1658
• a: 10.5516 ± 0.0004 Å
• b: 27.6809 ± 0.001 Å
• c: 9.4129 ± 0.0004 Å
• α: 90°
• β: 99.062 ± 0.001°
• γ: 90°
• Cell volume: 2714.98 ± 0.18 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections: 1.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No