Information card for entry 4344543

Structure parameters

• Common name: [LPd2]_2DMSO
• Formula: C44 H36 N4 O8 Pd2 S2
• Calculated formula: C44 H36 N4 O8 Pd2 S2
• SMILES: c12c3c(ccc1)C=[N]1c4ccccc4[N]4[Pd]1(O3)Oc1c(C=4)cccc1Oc1c3c(ccc1)C=[N]1c4ccccc4[N]4=Cc5c(O[Pd]14O3)c(O2)ccc5.S(=O)(C)C.O=S(C)C
• Title of publication: Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.
• Authors of publication: Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 810 - 821
• a: 10.7324 ± 0.0006 Å
• b: 15.3932 ± 0.0007 Å
• c: 11.6479 ± 0.0007 Å
• α: 90°
• β: 96.9893 ± 0.0017°
• γ: 90°
• Cell volume: 1910 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No