Information card for entry 4066789

Structure parameters

• Formula: C16 H26 B10 Cl2 N2 Pd
• Calculated formula: C16 H26 B10 Cl2 N2 Pd
• SMILES: c1cccc(C[NH]2C([C]3456[C]789(C)[BH]%10%113[BH]3%124[BH]4%135[BH]567[BH]67%13[BH]%13%124[BH]4%113[BH]38%10[BH]956[BH]7%1343)c3cccc[n]3[Pd]2(Cl)Cl)c1
• Title of publication: closo-o-Carboranylmethylamine−Pyridine Associations: Synthesis, Characterization, and First Complexation Studies
• Authors of publication: Terrasson, Vincent; Planas, José Giner; Viñas, Clara; Teixidor, Francesc; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4130
• a: 8.9577 ± 0.0003 Å
• b: 14.3902 ± 0.0003 Å
• c: 18.5339 ± 0.0007 Å
• α: 90°
• β: 102.028 ± 0.002°
• γ: 90°
• Cell volume: 2336.63 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No