Information card for entry 7112623

Structure parameters

• Formula: C43 H45 N5 O10 Pd
• Calculated formula: C43 H45 N5 O10 Pd
• SMILES: [Pd]123[N]#Cc4ccc(c5c6cc(c7ccc(C#N)cc7)c(c5)OCCOCCOCCOCCN3C(=O)c3cccc(C(=O)N1CCOCCOCCOCCO6)[n]23)cc4
• Title of publication: Optical reading of the open and closed states of a molecular turnstile
• Authors of publication: Nicolas Zigon; Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakas; Mir Wais Hosseini
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5040
• a: 8.444 ± 0.0004 Å
• b: 17.3203 ± 0.0006 Å
• c: 27.1664 ± 0.0011 Å
• α: 90°
• β: 95.788 ± 0.002°
• γ: 90°
• Cell volume: 3952.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No