Information card for entry 7042462

Structure parameters

• Formula: C14 H34 B2 N2 Zr
• Calculated formula: C14 H34 B2 N2 Zr
• SMILES: C[N]1(C)[BH2][H][ZrH]2345671([c]1([c]3([c]4([c]5([c]21C)C)C)C)C)[H][BH]([N]7(C)C)[H]6
• Title of publication: Isolable zirconium hydride species in the reaction of amido complexes with amine-boranes.
• Authors of publication: Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5138 - 5142
• a: 8.6408 ± 0.0005 Å
• b: 26.1286 ± 0.0012 Å
• c: 8.6899 ± 0.0005 Å
• α: 90°
• β: 111.81 ± 0.005°
• γ: 90°
• Cell volume: 1821.5 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0903
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No