Information card for entry 4130791

Structure parameters

• Chemical name: ammonium strontium hexacyanoferrate(II) dihydrate
• Formula: C6 H12 Fe N8 O2 Sr
• Calculated formula: C6 H12 Fe N8 O2 Sr
• SMILES: C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.[Sr+2].[NH4+].O.[NH4+]
• Title of publication: Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue.
• Authors of publication: Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 35
• Pages of publication: 11121 - 11123
• a: 12.2629 ± 0.0006 Å
• b: 7.4837 ± 0.0003 Å
• c: 15.1106 ± 0.0007 Å
• α: 90°
• β: 106.601 ± 0.005°
• γ: 90°
• Cell volume: 1328.93 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0228
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for all reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No