Information card for entry 7009246

Structure parameters

• Common name: compound 4(Ni)
• Formula: C26 H54 Co2 Ni O19 P6
• Calculated formula: C26 H54 Co2 Ni O19 P6
• SMILES: [P]1(O[Ni]234(O[P](OC)([Co]56781([P](O2)(OC)OC)[cH]1[cH]5[cH]6[cH]7[cH]81)OC)O[P]([Co]1256([P](O3)(OC)OC)([P](O4)(OC)OC)[cH]3[cH]1[cH]2[cH]5[cH]63)(OC)OC)(OC)OC.C1OCCC1
• Title of publication: An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X)
• Authors of publication: De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1123 - 1134
• a: 19.497 ± 0.008 Å
• b: 11.9703 ± 0.0018 Å
• c: 17.705 ± 0.007 Å
• α: 90°
• β: 98.32 ± 0.04°
• γ: 90°
• Cell volume: 4089 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.663
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No