Information card for entry 4111174

Structure parameters

• Common name: [LZn2Y(OAc)2(NO3)(MeOH)](MeOH)
• Formula: C34 H40 N5 O19 Y Zn2
• Calculated formula: C34 H40 N5 O19 Y Zn2
• SMILES: [Y]1234567[O]8[Zn]9%10([O]1c1c(cccc1[O]2C)C=[N]1OCCO[N]9=Cc2c(c9c(cc2)C=[N]2[Zn]1([O]59)([N](OCCO2)=Cc1c8c(ccc1)[O]7C)([O]=C(O3)C)ON(=O)=O)[O]4%10)[O]=C(O6)C.OC.OC
• Title of publication: Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes
• Authors of publication: Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15765 - 15774
• a: 12.38 ± 0.005 Å
• b: 12.893 ± 0.006 Å
• c: 13.2 ± 0.007 Å
• α: 88.92 ± 0.014°
• β: 85.99 ± 0.016°
• γ: 67.455 ± 0.01°
• Cell volume: 1941.1 ± 1.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No