Information card for entry 7015037

Structure parameters

• Formula: C33 H48 F6 N2 O2 Pd Sb
• Calculated formula: C33 H48 F6 N2 O2 Pd Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Pd]123Oc4c(cc(cc4C=[N]2CCC[N]3=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)C(C)(C)C)C(C)(C)C
• Title of publication: Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes
• Authors of publication: Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2469
• a: 11.6784 ± 0.0005 Å
• b: 17.5605 ± 0.0006 Å
• c: 18.3113 ± 0.0009 Å
• α: 90°
• β: 109.816 ± 0.002°
• γ: 90°
• Cell volume: 3532.9 ± 0.3 ų
• Cell temperature: 133.2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.882
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No