Information card for entry 4125481

Structure parameters

• Common name: 1.(Et,H2O)
• Formula: C24 H16 Fe N12 O2 Pd
• Calculated formula: C24 H16 Fe N12 O2 Pd
• Title of publication: Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.
• Authors of publication: Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 3
• Pages of publication: 1330 - 1335
• a: 26.5335 ± 0.0009 Å
• b: 7.4453 ± 0.0003 Å
• c: 29.3511 ± 0.0009 Å
• α: 90°
• β: 110.036 ± 0.005°
• γ: 90°
• Cell volume: 5447.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No