Information card for entry 4119091

Structure parameters

• Formula: C41 H46 N4 O5 Pd2
• Calculated formula: C41 H46 N4 O5 Pd2
• SMILES: [Pd]123Oc4ccccc4C=[N]2CCCCC[N]2[Pd]4(Oc5ccccc5C=2)Oc2c(cccc2)C=[N]4CCCCC[N]3=Cc2c(cccc2)O1.O=C(C)C
• Title of publication: Molecules That Assemble by Sound: An Application to the Instant Gelation of Stable Organic Fluids
• Authors of publication: Naota, Takeshi; Koori, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9324 - 9325
• a: 17.5075 ± 0.0005 Å
• b: 12.4366 ± 0.0004 Å
• c: 36.567 ± 0.001 Å
• α: 90°
• β: 100.724 ± 0.001°
• γ: 90°
• Cell volume: 7822.8 ± 0.4 ų
• Cell temperature: 120.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No