Information card for entry 2016367

Structure parameters

• Chemical name: bis{μ-3-[2-(dimethylamino)ethylimino]-1-phenylpropan-2-one oximato}dinickel(II) bis(perchlorate)
• Formula: C26 H36 Cl2 N6 Ni2 O10
• Calculated formula: C26 H36 Cl2 N6 Ni2 O10
• SMILES: C1[N](C)(C)[Ni]23[N](=C(C(c4ccccc4)=[N]2C1)C)O[Ni]12[N](=C(C(c4ccccc4)=[N]1CC[N]2(C)C)C)O3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Two new oximate-bridged square-planar dinuclear nickel(II) complexes
• Authors of publication: Bera, Manindranath; Noll, Bruce C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m553 - m556
• a: 12.5432 ± 0.0005 Å
• b: 8.9714 ± 0.0004 Å
• c: 13.7277 ± 0.0005 Å
• α: 90°
• β: 93.745 ± 0.002°
• γ: 90°
• Cell volume: 1541.48 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes