Information card for entry 7026462

Structure parameters

• Formula: C24 H36 Cl8 Fe3 N12
• Calculated formula: C24 H36 Cl8 Fe3 N12
• 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: 14.4521 ± 0.0002 Å
• b: 14.4521 ± 0.0002 Å
• c: 36.3458 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6574.3 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No