Information card for entry 7012703

Structure parameters

• Formula: C48 H59 Cl N3 O3 P Pd2
• Calculated formula: C48 H59 Cl N3 O3 P Pd2
• SMILES: [Pd]12([P](c3ccccc3)([C@H]([Pd]3(Cl)[N](C)(C)Cc4c3cccc4)C3OC[C@H]([N]1=3)c1ccccc1)c1ccccc1)[N](C)(Cc1ccccc21)C.O1CCCC1.O1CCCC1
• Title of publication: New phosphino-oxazoline and related phosphino-iminolate palladium complexes; structure of an unusual zwitterionic dinuclear Pd(ii) complex
• Authors of publication: Apfelbacher, Andreas; Braunstein, Pierre; Brissieux, Luc; Welter, Richard
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1669
• a: 10.545 ± 0.001 Å
• b: 17.361 ± 0.001 Å
• c: 24.694 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4520.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No