Information card for entry 4340422

Structure parameters

• Chemical name: Bis(ferrocenylmethyl)(2-pyrid-2-ylethyl)amine (compound 3)
• Formula: C29 H30 Fe2 N2
• Calculated formula: C29 H30 Fe2 N2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)CN(C[c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)CCc1ncccc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.
• Authors of publication: Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4136 - 4138
• a: 5.9958 ± 0.0001 Å
• b: 19.2378 ± 0.0003 Å
• c: 20.0839 ± 0.0004 Å
• α: 90°
• β: 90.7279 ± 0.0006°
• γ: 90°
• Cell volume: 2316.41 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No