Information card for entry 1561144

Structure parameters

• Formula: C8 H14 Cr Mn N O13
• Calculated formula: C8 H6 Cr Mn N0.9999 O13.0002
• Title of publication: Magnetic, optical and phonon properties of novel heterometallic formates [NH3CH2CH2OH][MIIIMII(HCOO)6] (MIII = Fe, Cr; MII = Mn, Ni, Co)
• Authors of publication: Mączka, Mirosław; Janczak, Jan; Hermanowicz, Krzysztof; Pikul, Adam; Hanuza, Jerzy
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 260
• Pages of publication: 7 - 15
• a: 8.2876 ± 0.0005 Å
• b: 8.2876 ± 0.0005 Å
• c: 14.1138 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 839.52 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No