Information card for entry 1550325

Structure parameters

• Formula: C67 H89 Co Ga K N4 O4 P4
• Calculated formula: C67 H89 Co Ga K N4 O4 P4
• SMILES: [Ga]12(P3[Co]456(P3P4P15)[N](=C1C(=[N]6c3c(cc(cc3C)C)C)c3cccc4cccc1c34)c1c(cc(cc1C)C)C)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.[K]12([O](C)CC[O]1C)[O](CC[O]2C)C
• 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: 15.4512 ± 0.0003 Å
• b: 16.1163 ± 0.0004 Å
• c: 16.5636 ± 0.0003 Å
• α: 94.7947 ± 0.0016°
• β: 103.148 ± 0.0016°
• γ: 98.1715 ± 0.0018°
• Cell volume: 3946.85 ± 0.15 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No