Information card for entry 4087695

Structure parameters

• Formula: C45 H35 Co N2 O
• Calculated formula: C45 H35 Co N2 O
• SMILES: [Co]1234567([c]8(C(=O)Nc9cccc%10cccnc9%10)[c]1([cH]2[cH]3[c]48C)C)[C]1(=[C]7([C]6(=[C]51c1ccccc1)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: 15.5428 ± 0.0016 Å
• b: 18.4081 ± 0.0019 Å
• c: 23.353 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6681.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.348
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No