Information card for entry 7103290

Structure parameters

• Formula: C17 H18 Fe N2 O3
• Calculated formula: C16 H14 Fe N2 O2
• SMILES: n1c(=O)[nH]cc(c1)C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.O
• Title of publication: Electrochemically and photochemically active Palladium(II) heterotopic metallacalix[3]arenes.
• Authors of publication: Galindo, Miguel A; Houlton, Andrew; Clegg, William; Harrington, Ross W; Dobado, José; Santoyo-Gonzalez, Francisco; Linares, Fatima; Romero, M Angustias; Navarro, Jorge A R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 32
• Pages of publication: 3735 - 3737
• a: 6.022 ± 0.004 Å
• b: 9.912 ± 0.006 Å
• c: 12.964 ± 0.008 Å
• α: 78.772 ± 0.007°
• β: 77.213 ± 0.006°
• γ: 77.793 ± 0.006°
• Cell volume: 728.6 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.6751 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No