Information card for entry 7005136

Structure parameters

• Formula: C11 H11 Fe N O
• Calculated formula: C11 H11 Fe N O
• SMILES: C(=O)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)N
• Title of publication: Arranging up to six ferrocene carboxamides around metal centres.
• Authors of publication: Salazar-Mendoza, Domingo; Baudron, Stéphane A; Hosseini, Mir Wais; Kyritsakas, Nathalie; De Cian, André
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 565 - 569
• a: 5.6124 ± 0.0003 Å
• b: 13.1456 ± 0.0007 Å
• c: 12.61 ± 0.0007 Å
• α: 90°
• β: 95.721 ± 0.002°
• γ: 90°
• Cell volume: 925.71 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No