Information card for entry 1518683

Structure parameters

• Formula: H12 N2 Ni O12
• Calculated formula: H12 N2 Ni O12
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation
• Authors of publication: Breternitz, Joachim; Farrugia, Louis J.; Godula-Jopek, Agata; Saremi-Yarahmadi, Sina; Malka, Iwona E.; Hoang, Tuan K.A.; Gregory, Duncan H.
• Journal of publication: Journal of Crystal Growth
• Year of publication: 2015
• Journal volume: 412
• Pages of publication: 1
• a: 5.7531 ± 0.0003 Å
• b: 7.6604 ± 0.0004 Å
• c: 11.4876 ± 0.0006 Å
• α: 106.347 ± 0.002°
• β: 98.45 ± 0.002°
• γ: 101.538 ± 0.002°
• Cell volume: 464.73 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No