Information card for entry 4321604

Structure parameters

• Formula: C16 H18 B N6 Rh
• Calculated formula: C16 H18 B N6 Rh
• SMILES: [Rh]1234([n]5n([BH2]n6[n]1cc(c6)C#N)cc(c5)C#N)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Dihydrobis(4-cyanopyrazol-1-yl)borate, [Bp4CN], a Functionalized Heteroscorpionate Ligand with Cross-Linking Potential
• Authors of publication: Arnold L. Rheingold; Christopher D. Incarvito; Swiatoslaw Trofimenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5569 - 5571
• a: 16.606 ± 0.011 Å
• b: 7.615 ± 0.005 Å
• c: 14.99 ± 0.009 Å
• α: 90°
• β: 114.7 ± 0.04°
• γ: 90°
• Cell volume: 1722 ± 2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No