Information card for entry 4320703

Structure parameters

• Formula: C27 H35 Cl2 Cr N9 Ni O12 P
• Calculated formula: C27 H35 Cl2 Cr N9 Ni O12 P
• SMILES: [Ni]12345[n]6c7P8c9[n]2c(ccc9)C=[N]3O[Cr]23(O[N]1=Cc6ccc7)(O[N]5=Cc1[n]4c8ccc1)[N]1(CC[N]2(CC[N]3(CC1)C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=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: 11.989 ± 0.001 Å
• b: 12.429 ± 0.002 Å
• c: 13.292 ± 0.002 Å
• α: 102.55 ± 0.02°
• β: 107.54 ± 0.02°
• γ: 104 ± 0.02°
• Cell volume: 1740 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.1007
• Goodness-of-fit parameter for all reflections: 0.995
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No