Information card for entry 4518445

Structure parameters

• Formula: C7 H28 Fe9 N7 S10
• Calculated formula: C7 H28 Fe9 N7 S10
• Title of publication: Non-innocent Intercalation of Diamines into Tetragonal FeS Superconductor
• Authors of publication: Harmer, Colin P.; Pak, Chongin; Greenfield, Joshua T.; Adeyemi, Adedoyin N.; Gamage, Eranga H.; Kovnir, Kirill
• Journal of publication: ACS Applied Energy Materials
• Year of publication: 2021
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 42 - 46
• a: 8.3684 ± 0.0005 Å
• b: 33.246 ± 0.002 Å
• c: 20.5563 ± 0.0012 Å
• α: 90°
• β: 90.112 ± 0.001°
• γ: 90°
• Cell volume: 5719.1 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No