Information card for entry 1550321

Structure parameters

• Formula: C77 H111 Co Ga K N4 O6 P4
• Calculated formula: C77 H111 Co Ga K N4 O6 P4
• SMILES: [Ga]12([P]3[Co]456([P]3[P]4[P]15)[N](=C1C(=[N]6c3c(C(C)C)cccc3C(C)C)c3cccc4cccc1c34)c1c(cccc1C(C)C)C(C)C)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.[K]1([O](C)CC[O]1C)[O](C)CCOC.O(C)CCOC
• 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: 13.84854 ± 0.00012 Å
• b: 21.0014 ± 0.0002 Å
• c: 27.3815 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7963.6 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No