Information card for entry 7128081

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: [OsH4]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-]
• Title of publication: Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.
• Authors of publication: Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 30
• Pages of publication: 3652 - 3655
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6518
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No