Information card for entry 7026465

Structure parameters

• Formula: C42 H60 Cl8 Fe In2 N12
• Calculated formula: C42 H60 Cl8 Fe In2 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: 10.9464 ± 0.0005 Å
• b: 15.9076 ± 0.0007 Å
• c: 16.1604 ± 0.0007 Å
• α: 89.592 ± 0.002°
• β: 89.682 ± 0.002°
• γ: 86.288 ± 0.002°
• Cell volume: 2808 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0445
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No