Information card for entry 7003081

Structure parameters

• Common name: ethylenediimine-bis(1-ferrocenyl-1,3-butanedionate)nickel(ii)
• Chemical name: ethylenediimine-bis(1-ferrocenyl-1,3-butanedionate)nickel(II)
• Formula: C30 H30 Fe2 N2 Ni O2
• Calculated formula: C30 H30 Fe2 N2 Ni O2
• SMILES: [Ni]123[N](=C(C=C(O2)[c]24[cH]5[Fe]6789%10%112([cH]2[cH]6[cH]7[cH]8[cH]92)[cH]5[cH]%10[cH]4%11)C)CC[N]1=C(C)C=C(O3)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: Theoretical and electrochemical studies on organometallic symmetrical Schiff base complexes of Zn(ii), Cu(ii), Ni(ii) and Co(ii)
• Authors of publication: Fuentealba, Mauricio; Garland, María Teresa; Carrillo, David; Manzur, Carolina; Hamon, Jean-René; Saillard, Jean-Yves
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 77
• a: 36.668 ± 0.003 Å
• b: 7.5346 ± 0.0007 Å
• c: 23.5074 ± 0.0019 Å
• α: 90°
• β: 125.882 ± 0.001°
• γ: 90°
• Cell volume: 5262.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.2261
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No