Information card for entry 2240052

Structure parameters

• Chemical name: Diammonium hexaphosphitopentaferrate(II)
• Formula: Fe5 H14 N2 O18 P6
• Calculated formula: Fe5 H6 N2.0004 O18 P6
• Title of publication: Crystal structure of (NH~4~)~2~[Fe^II^~5~(HPO~3~)~6~], a new open-framework phosphite
• Authors of publication: Berrocal, Teresa; Mesa, Jose Luis; Larrea, Edurne; Arrieta, Juan Manuel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 309 - 311
• a: 10.3862 ± 0.0015 Å
• b: 10.3862 ± 0.0015 Å
• c: 9.2089 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 860.3 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes