Information card for entry 4130792

Structure parameters

• Chemical name: ammonium strontium hexacyanoferrate(II)
• Formula: C6 H8 Fe N8 Sr
• Calculated formula: C6 H8 Fe N8 Sr
• SMILES: C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.[Sr+2].[NH4+].[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: 7.4087 ± 0.0004 Å
• b: 7.5926 ± 0.0004 Å
• c: 10.7605 ± 0.0006 Å
• α: 90°
• β: 90.336 ± 0.005°
• γ: 90°
• Cell volume: 605.28 ± 0.06 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300.01 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.1154
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No