Information card for entry 7119966

Structure parameters

• Formula: C131 H102 Cl4 N44 Ni11 O9
• Calculated formula: C131 H102 Cl4 N44 Ni11 O9
• Title of publication: A ligand design with a modified naphthyridylamide for achieving the longest EMACs: the 1st single-molecule conductance of an undeca-nickel metal string.
• Authors of publication: Chen, Po-Jung; Sigrist, Marc; Horng, Er-Chien; Lin, Geng-Min; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 34
• Pages of publication: 4673 - 4676
• a: 16.3756 ± 0.0008 Å
• b: 17.1876 ± 0.0008 Å
• c: 26.5639 ± 0.0013 Å
• α: 74.3715 ± 0.0014°
• β: 74.7034 ± 0.0014°
• γ: 86.5878 ± 0.0015°
• Cell volume: 6944.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1338
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No