Information card for entry 7021588

Structure parameters

• Formula: C22 H30 Cl4 N4 Pd
• Calculated formula: C22 H30 Cl4 N4 Pd
• SMILES: [Pd](=C(n1ncc2ccccc12)NC1CCCCC1)(Cl)(Cl)C#[N]C1CCCCC1.ClCCl
• Title of publication: Metal-mediated coupling of a coordinated isocyanide and indazoles.
• Authors of publication: Kinzhalov, Mikhail A.; Boyarskiy, Vadim P.; Luzyanin, Konstantin V.; Dolgushin, Fedor M.; Kukushkin, Vadim Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10394 - 10397
• a: 7.9854 ± 0.0005 Å
• b: 22.7479 ± 0.0013 Å
• c: 14.3669 ± 0.0008 Å
• α: 90°
• β: 105.057 ± 0.001°
• γ: 90°
• Cell volume: 2520.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No