Information card for entry 4315724

Structure parameters

• Formula: C32 H30 B2 F8 N10 Pd
• Calculated formula: C32 H30 B2 F8 N10 Pd
• SMILES: [B](F)(F)(F)[F-].CC#N.[n]12nc(c3ccccc3)cn2Cc2cccc[n]2[Pd]21[n]1n(Cc3cccc[n]23)cc(n1)c1ccccc1.[B](F)(F)(F)[F-].CC#N
• Title of publication: Click-Triazole N2 Coordination to Transition-Metal Ions Is Assisted by a Pendant Pyridine Substituent
• Authors of publication: Damijana Urankar; Balazs Pinter; Andrej Pevec; Frank De Proft; Iztok Turel; Janez Košmrlj
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4820 - 4829
• a: 9.5792 ± 0.0003 Å
• b: 9.6228 ± 0.0002 Å
• c: 11.0935 ± 0.0003 Å
• α: 67.954 ± 0.002°
• β: 67.976 ± 0.001°
• γ: 73.081 ± 0.002°
• Cell volume: 865.11 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0338
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No