Information card for entry 7027361

Structure parameters

• Formula: C106 H97 F12 N18 Ni O2.5 P2
• Calculated formula: C106 H97 F12 N18 Ni O2.5 P2
• Title of publication: Synthesis, structure and characterization of novel nickel(II) and iron(II) complexes with a 5,5′-bis[2-(2,2′-bipyridin-6-yl)-ethyl]-2,2′-bipyridine ligand
• Authors of publication: Shu, Mou-Hai; Duan, Chun-Ying; Sun, Wei-Yin; Fu, You-Jun; Zhang, Dao-Hua; Bai, Zhi-Ping; Tang, Wen-Xia
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 2317
• a: 22.705 ± 0.008 Å
• b: 16.855 ± 0.002 Å
• c: 25.917 ± 0.004 Å
• α: 90°
• β: 96.44 ± 0.02°
• γ: 90°
• Cell volume: 9856 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections: 0.2258
• Weighted residual factors for significantly intense reflections: 0.1735
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No