Information card for entry 1561579

Structure parameters

• Common name: NH4NiCl2(HCOO)
• Chemical name: NH4NiCl2(HCOO)
• Formula: C H5 Cl2 N Ni O2
• Calculated formula: C H5 Cl2 N Ni O2
• SMILES: [Ni]12(OC=O)([Cl][Ni]([Cl]2)OC=[O]1)(Cl)Cl.[NH4+].[NH4+]
• Title of publication: Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni)
• Authors of publication: Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 236
• Pages of publication: 222 - 229
• a: 7.598 ± 0.0015 Å
• b: 11.336 ± 0.002 Å
• c: 6.753 ± 0.0014 Å
• α: 90°
• β: 107.68 ± 0.03°
• γ: 90°
• Cell volume: 554.2 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No