Information card for entry 4116277

Structure parameters

• Formula: C83 H59 Cl11 N28 Ni7
• Calculated formula: C83 H59 Cl11 N28 Ni7
• SMILES: [Ni]1234([Ni]5678[Ni]9%10%11%12[Ni]%13%14%15%16[Ni]%17%18%19%20[Ni]%21%22%23%24[Ni](Cl)([n]%25c(N%21c%21[n]%17c(N%13c%13[n]9c(N5c5[n]1cccc5)ccc%13)ccc%21)cccc%25)([n]1c(N%22c5[n]%18c(N%14c9[n]%10c(N6c6[n]2cccc6)ccc9)ccc5)cccc1)([n]1c(N%23c2[n]%19c(N%15c5[n]%11c(N7c6[n]3cccc6)ccc5)ccc2)cccc1)[n]1c(N%24c2[n]%20c(N%16c3[n]%12c(N8c5[n]4cccc5)ccc3)ccc2)cccc1)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Metal String Complexes: Synthesis and Crystal Structure of [Ni4(μ4-phdpda)4] and [Ni7(μ7-teptra)4Cl2] (H2phdpda = N-Phenyldipyridyldiamine and H3teptra = Tetrapyridyltriamine)
• Authors of publication: Shie-Yang Lai; Tzu-Wei Lin; Yu-Hua Chen; Chih-Chieh Wang; Gene-Hsiang Lee; Ming-hwa Yang; Man-kit Leung; Shie-Ming Peng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 250 - 251
• a: 19.7542 ± 0.0007 Å
• b: 16.9432 ± 0.0005 Å
• c: 28.5946 ± 0.0009 Å
• α: 90°
• β: 95.868 ± 0.001°
• γ: 90°
• Cell volume: 9520.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections: 0.302
• Weighted residual factors for significantly intense reflections: 0.246
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No