Information card for entry 4320699

Structure parameters

• Formula: C27 H36 Cl2 Cr Mn N9 O11
• Calculated formula: C27 H36 Cl2 Cr Mn N9 O11
• SMILES: [Mn]12345[N](O[Cr]67(O[N]2=Cc2[n]3cccc2)(O[N]4=Cc2[n]5cccc2)[N]2(CC[N]6(CC[N]7(CC2)C)C)C)=Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Tris(pyridinealdoximato)metal Complexes as Ligands for the Synthesis of Asymmetric Heterodinuclear CrIIIM Species [M = Zn(II), Cu(II), Ni(II), Fe(II), Mn(II), Cr(II), Co(III)]: A Magneto-Structural Study
• Authors of publication: Sylvia Ross; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6656 - 6665
• a: 12.01 ± 0.002 Å
• b: 12.68 ± 0.003 Å
• c: 12.763 ± 0.003 Å
• α: 110.63 ± 0.03°
• β: 101.48 ± 0.03°
• γ: 101.17 ± 0.03°
• Cell volume: 1707.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.1047
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No