Information card for entry 4083493

Structure parameters

• Formula: C43 H67 B Cl N2 Os P
• Calculated formula: C43 H67 B Cl N2 Os P
• SMILES: [OsH]12([H][B]2([H]1)Cc1ccccc1)(Cl)([P](C(C)C)(C(C)C)C(C)C)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Unprecedented Addition of Tetrahydroborate to an Osmium‒Carbon Triple Bond
• Authors of publication: Buil, María L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2689
• a: 10.0674 ± 0.0008 Å
• b: 10.9113 ± 0.0008 Å
• c: 19.9851 ± 0.0015 Å
• α: 102.171 ± 0.001°
• β: 98.025 ± 0.001°
• γ: 99.289 ± 0.001°
• Cell volume: 2083.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No