Information card for entry 1514822

Structure parameters

• Common name: [(NO2)Ni(Medoen)Zn(Me3TACN)]ClO4
• Formula: C19 H37 Cl N8 Ni O8 Zn
• Calculated formula: C19 H37 Cl N8 Ni O8 Zn
• SMILES: [Zn]1234(O[N]5[Ni]67([N](O2)=C(C(=[N]6CC[N]7=C(C=5C)C)C)C)[N](=O)O3)[N]2(CC[N]1(CC[N]4(CC2)C)C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Access to formally Ni(i) states in a heterobimetallic NiZn system
• Authors of publication: Uyeda, Christopher; Peters, Jonas C.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 157
• a: 8.5274 ± 0.0004 Å
• b: 12.4106 ± 0.0005 Å
• c: 13.0776 ± 0.0005 Å
• α: 98.754 ± 0.001°
• β: 96.004 ± 0.001°
• γ: 90.074 ± 0.002°
• Cell volume: 1360.17 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No