Information card for entry 2300360

Structure parameters

• Formula: C6 H24 N8 Ni O6
• Calculated formula: C6 H24 N8 Ni O6
• SMILES: N(=O)(=O)[O-].[Ni]123([NH2]CC[NH2]2)([NH2]CC[NH2]1)[NH2]CC[NH2]3.N(=O)(=O)[O-]
• Title of publication: Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
• Authors of publication: Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2011
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 763 - 771
• a: 8.806 ± 0.005 Å
• b: 8.806 ± 0.005 Å
• c: 33.147 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 2226 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No