Information card for entry 7027129

Structure parameters

• Chemical name: 1.1'-Bis[(pyridylmethlyamino)carbonyl]ferrocene
• Formula: C24 H22 Fe N4 O2
• Calculated formula: C24 H22 Fe N4 O2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)NCc1ncccc1)[c]1([cH]8[cH]7[cH]6[cH]51)C(=O)NCc1ncccc1
• Title of publication: The effect of protonation on the spectroscopic and redox properties of a series of ferrocenoyl derivatives
• Authors of publication: Carr, Jonathan D.; Coles, Simon J.; Hassan, William W.; Hursthouse, Michael B.; Malik, K. M. Abdul; Tucker, James H. R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 57
• a: 8.894 ± 0.002 Å
• b: 9.855 ± 0.002 Å
• c: 13.892 ± 0.003 Å
• α: 106.01 ± 0.03°
• β: 98.8 ± 0.03°
• γ: 113.58 ± 0.03°
• Cell volume: 1023.6 ± 0.6 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: 0.0558
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.0955
• Goodness-of-fit parameter for all reflections: 0.723
• Goodness-of-fit parameter for significantly intense reflections: 0.831
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No