Information card for entry 7203701

Structure parameters

• Common name: N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide
• Chemical name: N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide
• Formula: C20 H28 Fe N2 O6
• Calculated formula: C20 H28 Fe N2 O6
• SMILES: N(C(=O)[c]12[cH]3[Fe]4567891([c]1([cH]4[cH]6[cH]8[cH]91)C(=O)N(CCO)CCO)[cH]2[cH]5[cH]37)(CCO)CCO
• Title of publication: Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms
• Authors of publication: Petr Štěpnička; Ivana Císařová
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 37
• a: 21.35 ± 0.0003 Å
• b: 7.75 ± 0.0004 Å
• c: 15.596 ± 0.0005 Å
• α: 90°
• β: 130.317 ± 0.002°
• γ: 90°
• Cell volume: 1967.61 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No