Information card for entry 4303594

Structure parameters

• Common name: [L2Zn6(OAc)2]_2MeOH
• Formula: C86 H96 N8 O36 Zn6
• Calculated formula: C86 H96 N8 O36 Zn6
• SMILES: c12c(c(ccc1)OC)[O]1[Zn]34([N](=C2)OCCO[N]3=Cc2c3[O]4[Zn]4561[O](c3ccc2)CCOCC[O]1c2c3[O]7[Zn]89([N](=Cc%10c(c(OC)ccc%10)[O]9[Zn]9%1017[O]1c7c(cccc7OC)C=[N]7OCCO[N]%11=Cc%12c([O]9[Zn]17%11OC(=O)C)c([O]%10CCOCC[O]4c1c4[O]6[Zn]76([N](=Cc4ccc1)OCCO[N]7=Cc1c(c(ccc1)OC)[O]56)OC(=O)C)ccc%12)OCCO[N]8=Cc3ccc2)OC(=O)C)OC(=O)C.CO.CO
• Title of publication: Multiple Folding Structures Mediated by Metal Coordination of Acyclic Multidentate Ligand
• Authors of publication: Shigehisa Akine; Yoko Morita; Fumihiko Utsuno; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10670 - 10678
• a: 9.595 ± 0.003 Å
• b: 12.418 ± 0.003 Å
• c: 18.678 ± 0.006 Å
• α: 92.155 ± 0.011°
• β: 96.393 ± 0.012°
• γ: 90.151 ± 0.01°
• Cell volume: 2210 ± 1.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3237
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No