Information card for entry 2012141

Structure parameters

• Chemical name: Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-diaminoethane (1/1)
• Formula: C38 H38 Fe N2 O2
• Calculated formula: C38 H37.744 Fe N2 O2
• Title of publication: Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane
• Authors of publication: Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 914 - 917
• a: 9.8551 ± 0.0002 Å
• b: 11.7183 ± 0.0002 Å
• c: 27.681 ± 0.0005 Å
• α: 82.3495 ± 0.0008°
• β: 84.4918 ± 0.0008°
• γ: 73.4846 ± 0.0008°
• Cell volume: 3031.88 ± 0.1 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: 0.1148
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes