Information card for entry 7124390

Structure parameters

• Chemical name: [Fe(3,5 Me2TPM)(TPM)][Fe(azp)2]ClO4 MeCN
• Formula: C52 H48 Cl Fe2 N17 O8
• Calculated formula: C52 H48 Cl Fe2 N17 O8
• Title of publication: Double Spin Crossovers: A New Double Salt Strategy to Improve Magnetic and Memory Properties
• Authors of publication: Murray, Keith S.; Phonsri, Wasinee; Jameson, Guy N. L.; Lewis, Barnaby
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.2993 ± 0.0008 Å
• b: 10.5858 ± 0.0004 Å
• c: 32.3862 ± 0.0014 Å
• α: 90°
• β: 101.594 ± 0.004°
• γ: 90°
• Cell volume: 5809.8 ± 0.4 ų
• Cell temperature: 370 ± 0.2 K
• Ambient diffraction temperature: 370 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2436
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No