Information card for entry 2300406

Structure parameters

• Formula: C16 H18 Cl2 N2 Pd
• Calculated formula: C16 H18 Cl2 N2 Pd
• SMILES: [Pd]1([n]2c(C(=[N]1CC(C)C)c1ccccc1)cccc2)(Cl)Cl
• Title of publication: Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
• Authors of publication: Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2011
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 213 - 215
• a: 8.5305 ± 0.0011 Å
• b: 9.6211 ± 0.0014 Å
• c: 10.988 ± 0.0016 Å
• α: 72.593 ± 0.004°
• β: 78.78 ± 0.005°
• γ: 83.039 ± 0.004°
• Cell volume: 842.2 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2300316
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No