Information card for entry 7119965

Structure parameters

• Formula: C136 H84 Cl4 F12 N44 Ni11 O14 P2
• Calculated formula: C136 H84 Cl4 F12 N44 Ni11 O14 P2
• 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: 26.2902 ± 0.0008 Å
• b: 26.2902 ± 0.0008 Å
• c: 45.5256 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31466.1 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No