Information card for entry 7250570

Structure parameters

• Formula: C23.3 H28.6 Cl0.6 Fe I2 N5 O2.5 S
• Calculated formula: C23.3 H28.6 Cl0.6 Fe I2 N5 O2.5 S
• Title of publication: Influence of a spin crossover iron(iii) complex on the detection of phenylenediamines of graphene-modified screen printed electrodes
• Authors of publication: Ali, Basharat; Boonprab, Theerapoom; Thammasangwan, Warisa; Kaewmorakot, Sittipong; Karuwan, Chanpen; Tuantranont, Adisorn; Chastanet, Guillaume; Harding, David J.; Harding, Phimphaka
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 20760 - 20769
• a: 9.9536 ± 0.0006 Å
• b: 28.9081 ± 0.0017 Å
• c: 10.6554 ± 0.0006 Å
• α: 90°
• β: 109.24 ± 0.003°
• γ: 90°
• Cell volume: 2894.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.094
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No