Information card for entry 2216788

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,N')(4'-ferrocenyl-2,2':6',2''-terpyridine- κ^3^<i>N</i>,N',N'')copper(II) bis(tetrafluoridoborate)
• Formula: C35 H27 B2 Cu F8 Fe N5
• Calculated formula: C35 H27 B2 Cu F8 Fe N5
• SMILES: [Cu]123([n]4ccccc4c4[n]1c(cc(c4)[c]14[Fe]56789%10%11([cH]1[cH]5[cH]6[cH]47)[cH]1[cH]8[cH]9[cH]%10[cH]%111)c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II) bis(tetrafluoridoborate)
• Authors of publication: Tang, Si-Ping; Kuang, Dai-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3007 - m3007
• a: 14.078 ± 0.0008 Å
• b: 14.2074 ± 0.0008 Å
• c: 16.9442 ± 0.001 Å
• α: 90°
• β: 95.488 ± 0.001°
• γ: 90°
• Cell volume: 3373.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes