Information card for entry 2012454

Structure parameters

• Chemical name: Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-bis(4'-pyridyl)ethene (1/1)
• Formula: C48 H40 Fe N2 O2
• Calculated formula: C48 H40 Fe N2 O2
• Title of publication: Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane
• Authors of publication: Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m1 - m4
• a: 9.6393 ± 0.0004 Å
• b: 11.4219 ± 0.0005 Å
• c: 17.7338 ± 0.001 Å
• α: 76.768 ± 0.0018°
• β: 87.458 ± 0.0017°
• γ: 74.064 ± 0.003°
• Cell volume: 1827.24 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes