Information card for entry 7037258

Structure parameters

• Formula: C27 H25 Cr N O3 Pd
• Calculated formula: C27 H25 Cr N O3 Pd
• SMILES: [Pd]12([Cr]34567([c]89[C@H]2C(=C[c]79[cH]6[cH]5[cH]4[cH]38)C)(C#[O])(C#[O])C#[O])[N]([C@@H](c2c1ccc1ccccc21)C)(C)C
• Title of publication: New Pd(ii) hemichelates devoid of incipient bridging COPd interactions.
• Authors of publication: Werlé, Christophe; Anstine, Dylan M.; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 607 - 617
• a: 10.346 ± 0.001 Å
• b: 10.356 ± 0.001 Å
• c: 10.67 ± 0.001 Å
• α: 90°
• β: 90.978 ± 0.001°
• γ: 90°
• Cell volume: 1143.05 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No