Information card for entry 7710441

Structure parameters

• Chemical name: 1_250
• Formula: C44 H32 Fe3 N18 O3 Pt3
• Calculated formula: C44 H32 Fe3 N18 O3 Pt3
• Title of publication: Co-existence of five- and six-coordinate iron(ii) species captured in a geometrically strained spin-crossover Hofmann framework
• Authors of publication: Xu, Luonan; Xie, Zixi; Zenere, Katrina A.; Clegg, Jack K.; Kenny, Elise; Rijs, Nicole J.; Jameson, Guy N. L.; Kepert, Cameron J.; Powell, Benjamin J.; Neville, Suzanne M.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.398 ± 0.004 Å
• b: 13.352 ± 0.009 Å
• c: 14.812 ± 0.007 Å
• α: 96.57 ± 0.03°
• β: 102.935 ± 0.016°
• γ: 103.22 ± 0.03°
• Cell volume: 1366.9 ± 1.4 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No