Information card for entry 4072771

Structure parameters

• Common name: [Cp*Os(PCy3)H4][BF4]
• Formula: C28 H52 B F4 Os P
• Calculated formula: C28 H52 B F4 Os P
• SMILES: [OsH2]12345([H][H]1)([c]1([c]5([c]4([c]3([c]21C)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: 8.9295 ± 0.0002 Å
• b: 9.7179 ± 0.0001 Å
• c: 17.1819 ± 0.0001 Å
• α: 94.114 ± 0.001°
• β: 90.034 ± 0.001°
• γ: 101.369 ± 0.001°
• Cell volume: 1457.79 ± 0.04 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No