Information card for entry 7023147

Structure parameters

• Formula: C68 H78 Cl3 N5 O9 P2 Pd Pt
• Calculated formula: C68 H78 Cl3 N5 O9 P2 Pd Pt
• SMILES: [Pt]12([P](c3ccccc3)(c3ccccc3)CCOCCOCCOCCN3[Pd]4([n]5c(C3=O)cccc5C(=O)N4CCOCCOCCOCC[P]1(c1ccccc1)c1ccccc1)[n]1ccc(C#C2)cc1)C#Cc1ccncc1.C(Cl)(Cl)Cl.C(C)(C)OC(C)C
• Title of publication: A platinum turnstile with a palladium lock.
• Authors of publication: Zigon, Nicolas; Guenet, Aurélie; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9740 - 9745
• a: 7.9136 ± 0.0002 Å
• b: 18.605 ± 0.0004 Å
• c: 23.804 ± 0.0005 Å
• α: 96.72 ± 0.001°
• β: 90.62 ± 0.001°
• γ: 96.471 ± 0.001°
• Cell volume: 3457.45 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No