Information card for entry 7110485

Structure parameters

• Formula: C26 H36 Cl2 N4 Ni O12
• Calculated formula: C26 H32 Cl2 N4 Ni O12
• SMILES: [Ni]123(Oc4c5cc(C)cc4C=NCCCN=Cc4cc(C)cc(c4O1)C=[N]2CCC[N]3=C5)([OH]C)[OH]C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A heterodinuclear macrocyclic complex containing both nickel(II) and palladium(II) ions
• Authors of publication: Starynowicz, Przemysław; Lisowski, Jerzy
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 9
• Pages of publication: 769
• a: 9.789 ± 0.002 Å
• b: 11.737 ± 0.002 Å
• c: 14.795 ± 0.003 Å
• α: 92.05 ± 0.03°
• β: 99.19 ± 0.03°
• γ: 107 ± 0.03°
• Cell volume: 1598.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1352
• Goodness-of-fit parameter for significantly intense reflections: 6.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No