Information card for entry 7050178

Structure parameters

• Formula: C32 H31 F6 Fe2 N2 P
• Calculated formula: C32 H31 F6 Fe2 N2 P
• SMILES: [Fe]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[c]1([cH]5[cH]6[c]7([cH]8[cH]91)C)NN=C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[c]1([cH]6[cH]7[cH]8[cH]91)/C=C/c1ccc(cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Preparation, characterization and electrochemical and X-ray structural studies of new conjugated 1,1'-ferrocenediyl-ended [CpFe-arylhydrazone]+ salts
• Authors of publication: Carolina Manzur; César Zúñiga; Lorena Millán; Mauricio Fuentealba; Jose A. Mata; Jean-René Hamon; David Carrillo
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 134 - 144
• a: 10.612 ± 0.003 Å
• b: 11.147 ± 0.003 Å
• c: 13.521 ± 0.004 Å
• α: 85.155 ± 0.007°
• β: 74.476 ± 0.007°
• γ: 77.999 ± 0.007°
• Cell volume: 1506.7 ± 0.7 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No