Information card for entry 4336854

Structure parameters

• Common name: Ni(ANG)2(Cl)2(H2O)2
• Chemical name: Bis(3-amino-1-nitroguanidine)nickel(II) chloride dihydrate
• Formula: C2 H14 Cl2 N10 Ni O6
• Calculated formula: C2 H14 Cl2 N10 Ni O6
• SMILES: [N]1(N(=O)=O)[Ni]2([NH2]NC=1N)([NH2]NC(N)=[N]2N(=O)=O)(Cl)Cl.O.O
• Title of publication: Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties
• Authors of publication: Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13791 - 13802
• a: 7.7086 ± 0.0002 Å
• b: 13.0721 ± 0.0003 Å
• c: 7.8241 ± 0.0002 Å
• α: 90°
• β: 119.253 ± 0.004°
• γ: 90°
• Cell volume: 687.87 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0188
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No