Information card for entry 7027182

Structure parameters

• Formula: C12 H14 Cl2 N2 Pd
• Calculated formula: C12 H14 Cl2 N2 Pd
• SMILES: [Pd](Cl)(Cl)([n]1c(cccc1)C)[n]1c(cccc1)C
• 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: 8.603 ± 0.005 Å
• b: 10.786 ± 0.007 Å
• c: 8.286 ± 0.005 Å
• α: 91.17 ± 0.02°
• β: 116.37 ± 0.02°
• γ: 91.54 ± 0.02°
• Cell volume: 688.2 ± 0.7 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: 0.0648
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No