Information card for entry 7703519

Structure parameters

• Formula: C33 H27 Cl3 N2 O4 Pd2
• Calculated formula: C33 H27 Cl3 N2 O4 Pd2
• SMILES: [Pd]123[Cl][Pd]4([O]=C(O2)C)[n]2c(c5cccc(c6[n]3c(c3c1cc(OC)cc3)ccc6)c5)cccc2c1ccc(OC)cc41.ClCCl
• Title of publication: Open clamshell dinuclear palladium(ii) complexes possessing out-of-plane anisotropy.
• Authors of publication: Yamamoto, Koji; Higuchi, Kazuki; Kuwata, Shigeki; Hayashi, Yoshihiro; Kawauchi, Susumu; Takata, Toshikazu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 2781 - 2785
• a: 17.065 ± 0.011 Å
• b: 17.488 ± 0.011 Å
• c: 20.605 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6149 ± 7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No