Information card for entry 1550327

Structure parameters

• Chemical name: [(MesBIAN)Co(? η4:η1 P5tBu)GaCl(nacnac)]
• Formula: C75 H88 Cl Co F2 Ga N4 P5
• Calculated formula: C75 H88 Cl Co F2 Ga N4 P5
• SMILES: [Ga]1(Cl)(P2[P]3([Co]456(P2P4P35)[N](=C2C(=[N]6c3c(cc(cc3C)C)C)c3c4c2cccc4ccc3)c2c(cc(cc2C)C)C)C(C)(C)C)N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C.Fc1ccccc1.Fc1ccccc1
• 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: 11.8741 ± 0.0003 Å
• b: 12.4783 ± 0.0003 Å
• c: 24.9702 ± 0.0006 Å
• α: 89.008 ± 0.002°
• β: 77.087 ± 0.002°
• γ: 78.673 ± 0.002°
• Cell volume: 3534.62 ± 0.15 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0461
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No