Information card for entry 4340424

Structure parameters

• Chemical name: Dibromo[bis(2-{pyrid-2-yl}ethyl)(ferrocenylmethyl)amine]nickel(II) dichloromethane solvate (compound 5.CH~2~Cl~2~)
• Formula: C26 H29 Br2 Cl2 Fe N3 Ni
• Calculated formula: C26 H29 Br2 Cl2 Fe N3 Ni
• SMILES: [Ni]12(Br)(Br)[N](CCc3[n]1cccc3)(CCc1[n]2cccc1)C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91.C(Cl)Cl
• 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: 12.6712 ± 0.0002 Å
• b: 14.6662 ± 0.0003 Å
• c: 15.7818 ± 0.0004 Å
• α: 90°
• β: 112.327 ± 0.0009°
• γ: 90°
• Cell volume: 2712.99 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No