Information card for entry 7027181

Structure parameters

• Formula: C14 H18 Cl2 N2 Pd
• Calculated formula: C14 H18 Cl2 N2 Pd
• SMILES: [n]1(c(cccc1)CC)[Pd](Cl)([n]1c(cccc1)CC)Cl
• Title of publication: Chirality in mononuclear square planar complexes
• Authors of publication: Biagini, Marina Cingi; Ferrari, Maura; Lanfranchi, Maurizio; Marchiò, Luciano; Pellinghelli, Maria Angela
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 1575
• a: 7.453 ± 0.005 Å
• b: 7.522 ± 0.005 Å
• c: 8.423 ± 0.006 Å
• α: 97.36 ± 0.02°
• β: 114.85 ± 0.02°
• γ: 107.97 ± 0.02°
• Cell volume: 389 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No