Information card for entry 7026464

Structure parameters

• Formula: C16 H28 Cl8 Fe3 N8 O2
• Calculated formula: C16 H28 Cl8 Fe3 N8 O2
• Title of publication: Synthesis, structures and spin crossover properties of infinite 3D frameworks of iron(II) containing organodinitrile bridging ligands.
• Authors of publication: Chainok, Kittipong; Neville, Suzanne M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.; Forsyth, Craig M.; Cashion, John D.; Haller, Kenneth J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10900 - 10909
• a: 9.3413 ± 0.0002 Å
• b: 12.9995 ± 0.0003 Å
• c: 14.4027 ± 0.0004 Å
• α: 90°
• β: 97.479 ± 0.001°
• γ: 90°
• Cell volume: 1734.07 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0269
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No