Information card for entry 1550318

Structure parameters

• Formula: C39 H49 Co N2 P5
• Calculated formula: C39 H49 Co N2 P5
• SMILES: [Co]1234(P5P1P2P3[P+]5(C(C)C)C(C)C)[N](=C1C(=[N]4c2c(cc(cc2C)C)C)c2cccc3c2c1ccc3)c1c(C)cc(cc1C)C.CCCCCC
• Title of publication: Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt
• Authors of publication: Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 8.295 ± 0.0006 Å
• b: 10.3193 ± 0.0006 Å
• c: 23.1847 ± 0.0014 Å
• α: 84.114 ± 0.005°
• β: 82.677 ± 0.005°
• γ: 80.838 ± 0.006°
• Cell volume: 1936.4 ± 0.2 ų
• Cell temperature: 122.96 ± 0.18 K
• Ambient diffraction temperature: 122.96 ± 0.18 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: 0.0902
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No