Information card for entry 7009257

Structure parameters

• Common name: compound 14
• Formula: C51 H64 B Co N3 Ni O10 P3
• Calculated formula: C51 H64 B Co N3 Ni O10 P3
• SMILES: [Ni]123(O[P]([Co]4567([P](O1)(OC)OC)([P](O2)(OC)OC)[cH]1[cH]4[cH]5[cH]6[cH]71)(OC)OC)([n]1ccccc1c1[n]3cccc1)[N]#CC.O(CC)CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.468 ± 0.002 Å
• b: 16.435 ± 0.003 Å
• c: 26.532 ± 0.012 Å
• α: 90°
• β: 96.85 ± 0.03°
• γ: 90°
• Cell volume: 5398 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.697
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No