Information card for entry 7016009

Structure parameters

• Common name: ((Fe((3,5- Me2pz)3CH))4(C6H2(CH2OCH2C(pz)3)4))(BF4)8(MeCN)4(CH3OC (CH3)3)2
• Chemical name: [{Fe((3,5-Me2pz)3CH)}4(C6H2(CH2OCH2C(pz)3]4)](BF4)8(MeCN)4(CH3OC (CH3)3)2
• Formula: C144 H190 B8 F32 Fe4 N56 O6
• Calculated formula: C144 H190 B8 F32 Fe4 N56 O6
• Title of publication: Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.
• Authors of publication: Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 6939 - 6951
• a: 15.3526 ± 0.0009 Å
• b: 17.5492 ± 0.0012 Å
• c: 32.453 ± 0.002 Å
• α: 90°
• β: 99.077 ± 0.002°
• γ: 90°
• Cell volume: 8634.2 ± 0.9 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• 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: 0.186
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2669
• Weighted residual factors for all reflections included in the refinement: 0.3275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No