Information card for entry 4317033

Structure parameters

• Formula: C8 H14 Fe2 N O12
• Calculated formula: C8 H13.98 Fe2 N0.99 O12
• Title of publication: Magnetic Behavior Control in Niccolite Structural Metal Formate Frameworks [NH2(CH3)2][FeIIIMII(HCOO)6] (M = Fe, Mn, and Co) by Varying the Divalent Metal Ions
• Authors of publication: Jiong-Peng Zhao; Bo-Wen Hu; Francesc Lloret; Jun Tao; Qian Yang; Xiao-Feng Zhang; Xian-He Bu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10390 - 10399
• a: 8.2699 ± 0.0012 Å
• b: 8.2699 ± 0.0012 Å
• c: 13.93 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 825.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No