Information card for entry 1550322

Structure parameters

• Formula: C69 H89.27 Co Ga N4 O P5
• Calculated formula: C69 H90.16 Co Ga N4 O P5
• SMILES: [Ga]12(N(C(=CC(=[N]2c2c(C(C)C)cccc2C(C)C)C)C)c2c(C(C)C)cccc2C(C)C)[P]2[Co]345([P](=[P]13P(C(C)C)C(C)C)[P]=24)[N](c1c(cc(cc1C)C)C)=C1C(=[N]5c2c(C)cc(cc2C)C)c2c3c1cccc3ccc2.O1CCCC1
• 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: 12.5761 ± 0.0004 Å
• b: 16.9742 ± 0.0004 Å
• c: 17.4872 ± 0.0004 Å
• α: 97.67 ± 0.002°
• β: 101.165 ± 0.002°
• γ: 94.952 ± 0.002°
• Cell volume: 3605.33 ± 0.17 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No