Information card for entry 7009252

Structure parameters

• Common name: compound 7c(Ni)
• Formula: C36 H58 Cl4 Co2 N2 Ni2 O24 P6
• Calculated formula: C36 H58 Cl4 Co2 N2 Ni2 O24 P6
• SMILES: N1(=O)c2c(cccc2)[O]2[Ni]34(O[P]([Co]5678([P](O3)(OC)OC)([cH]3[cH]6[cH]7[cH]8[cH]53)[P](O4)(OC)OC)(OC)OC)([O]=1)[O](c1c(N(=[O]3)=O)cccc1)[Ni]1342O[P]([Co]2356([P](O1)(OC)OC)([P](O4)(OC)OC)[cH]1[cH]2[cH]6[cH]3[cH]51)(OC)OC.C(Cl)Cl.C(Cl)Cl
• 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: 24.196 ± 0.004 Å
• b: 24.838 ± 0.003 Å
• c: 10.667 ± 0.002 Å
• α: 90°
• β: 100.374 ± 0.003°
• γ: 90°
• Cell volume: 6305.9 ± 1.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.799
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No