Information card for entry 1551826

Structure parameters

• Formula: C194 H201 Cl8 N27 O54 Zn4
• Calculated formula: C194 H201 Cl8 N27 O54 Zn4
• SMILES: [Zn]1234([n]5c(c6[n]4cc(c4cc7[n]8[Zn]9%10([n]%11c(c%12[n]%10cc(c%10cc%13[n]%14[Zn]%15%16([n]%17c(c%18[n]%16cc(c%16cc%19[n]%20[Zn]%21%22([O](Cc%20c%16)Cc%16ccc(cc%16)COCCOCCOCc%16ccc(cc%16)C[O]%21C%19)([n]%16cc(c%19cc%20[n]3c(c%19)C[O]1Cc1ccc(cc1)COCCOCCOCc1ccc(cc1)C[O]2C%20)ccc%16c1[n]%22cc(cc1)c1ccc(N)cc1)[N]#CC)cc%18)ccc(c%17)c1ccc(N)cc1)([O](Cc%14c%10)Cc1ccc(cc1)COCCOCCOCc1ccc(cc1)C[O]%15C%13)[OH2])cc%12)ccc(c%11)c1ccc(N)cc1)([O](Cc8c4)Cc1ccc(cc1)COCCOCCOCc1ccc(cc1)C[O]9C7)[OH2])cc6)ccc(c5)c1ccc(N)cc1)[N]#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles
• Authors of publication: Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 9
• Pages of publication: 128 - 134
• a: 20.5708 ± 0.0008 Å
• b: 21.4332 ± 0.0008 Å
• c: 24.3151 ± 0.0008 Å
• α: 92.087 ± 0.003°
• β: 91.4 ± 0.003°
• γ: 112.299 ± 0.004°
• Cell volume: 9903.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.2255
• Residual factor for significantly intense reflections: 0.133
• Weighted residual factors for significantly intense reflections: 0.3079
• Weighted residual factors for all reflections included in the refinement: 0.3727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No