Information card for entry 4087694

Structure parameters

• Formula: C26 H25 Fe N3 O5 Pd
• Calculated formula: C26 H25 Fe N3 O5 Pd
• SMILES: [Pd]12([n]3cccc4cccc(N1C(=O)[c]15[Fe]6789%10%11%12([cH]1[cH]6[cH]%11[c]257)[cH]1[cH]9[cH]%10[cH]8[cH]%121)c34)[N]#CC.O=C(O)C.O=C(O)C
• Title of publication: Palladacycles Based on 8-Aminoquinoline Carboxamides of Cobalt and Iron Sandwich Compounds and a New Method to α-Alkylate Cp Rings of Metal Sandwich Carboxamides
• Authors of publication: Singh, Jatinder; Deb, Mayukh; Elias, Anil J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4946
• a: 10.3479 ± 0.0017 Å
• b: 11.5253 ± 0.0019 Å
• c: 11.7635 ± 0.0019 Å
• α: 90.541 ± 0.003°
• β: 97.093 ± 0.003°
• γ: 114.789 ± 0.003°
• Cell volume: 1261 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No