Information card for entry 7128194

Structure parameters

• Chemical name: FeNi_AQDS_H2O_100K
• Formula: C29 H48 Fe N14 Ni2 O11 S
• Calculated formula: C29 H48 Fe N14 Ni2 O11 S
• Title of publication: Guest-selective and reversible magnetic phase switching in a pseudo-pillared-layer porous magnet.
• Authors of publication: Yoshino, Haruka; Tomokage, Narumi; Mishima, Akio; Le Ouay, Benjamin; Ohtani, Ryo; Kosaka, Wataru; Miyasaka, Hitoshi; Ohba, Masaaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 42
• Pages of publication: 5211 - 5214
• a: 14.2047 ± 0.0015 Å
• b: 21.812 ± 0.002 Å
• c: 14.6944 ± 0.0015 Å
• α: 90°
• β: 90.464 ± 0.001°
• γ: 90°
• Cell volume: 4552.7 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No