Information card for entry 7035406

Structure parameters

• Formula: C8 H14 Fe N Ni O12
• Calculated formula: C8 H14.0016 Fe1.002 N1.0002 Ni0.997 O12
• Title of publication: Synthesis and characterization of novel niccolites [(CH3)2NH2][Fe(III)M(II)(HCOO)6] (M(II) = Zn, Ni, Cu).
• Authors of publication: Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Ptak, Maciej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13234 - 13241
• a: 8.1856 ± 0.0007 Å
• b: 8.1856 ± 0.0007 Å
• c: 13.6517 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 792.17 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No