Information card for entry 7203700

Structure parameters

• Common name: N,N-bis(2-hydroxyethyl)ferrocene carboxamide
• Chemical name: N,N-bis(2-hydroxyethyl)ferrocene carboxamide
• Formula: C15 H19 Fe N O3
• Calculated formula: C15 H19 Fe N O3
• 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: 12.697 ± 0.0002 Å
• b: 10.017 ± 0.0002 Å
• c: 22.015 ± 0.0003 Å
• α: 90°
• β: 92.601 ± 0.001°
• γ: 90°
• Cell volume: 2797.11 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No