Information card for entry 4320700

Structure parameters

• Formula: C27 H36 Cl2 Cr Fe N9 O11
• Calculated formula: C27 H36 Cl2 Cr Fe N9 O11
• SMILES: [Cr]1234(O[N]5[Fe]67([n]8c(cccc8)C=5)([N](O1)=Cc1[n]6cccc1)[N](O2)=Cc1[n]7cccc1)[N]1(CC[N]3(CC[N]4(CC1)C)C)C.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: 12.078 ± 0.003 Å
• b: 12.38 ± 0.003 Å
• c: 12.708 ± 0.003 Å
• α: 99.8 ± 0.03°
• β: 98.94 ± 0.03°
• γ: 113.27 ± 0.03°
• Cell volume: 1667.3 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.098
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No