Information card for entry 2300358

Structure parameters

• Formula: C6 H24 N8 Ni O6
• Calculated formula: C6 H24 N8 Ni O6
• SMILES: C1[NH2][Ni]23([NH2]CC[NH2]3)([NH2]CC[NH2]2)[NH2]C1.N(=O)(=O)[O-].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: 8.8647 ± 0.0003 Å
• b: 8.8647 ± 0.0003 Å
• c: 11.3595 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 773.07 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No