Information card for entry 4087692

Structure parameters

• Formula: C43 H31 Co N2 O
• Calculated formula: C43 H31 Co N2 O
• SMILES: [Co]1234567([c]8([cH]1[cH]2[cH]3[cH]48)C(=O)Nc1cccc2cccnc12)[C]1(=[C]5([C]6(=[C]71c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• 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: 10.728 ± 0.005 Å
• b: 12.357 ± 0.006 Å
• c: 12.615 ± 0.006 Å
• α: 89.055 ± 0.008°
• β: 81.542 ± 0.008°
• γ: 79.494 ± 0.008°
• Cell volume: 1626.3 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No