Information card for entry 1514818

Structure parameters

• Common name: [Ni(MedoenH)]ClO4
• Formula: C10 H17 Cl N4 Ni O6
• Calculated formula: C10 H17 Cl N4 Ni O6
• SMILES: [Ni]123[N](=C(C(=N1=O)C)C)CC[N]3=C(C(=[N]2O)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: 7.3309 ± 0.0002 Å
• b: 16.9368 ± 0.0005 Å
• c: 12.1796 ± 0.0004 Å
• α: 90°
• β: 95.441 ± 0.001°
• γ: 90°
• Cell volume: 1505.43 ± 0.08 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: 0.0632
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No