Information card for entry 4330733

Structure parameters

• Formula: C8 H4 Fe N6 Pd S4
• Calculated formula: C8 Fe N6 Pd S4
• Title of publication: Heterobimetallic MOFs Containing Tetrathiocyanometallate Building Blocks: Pressure-Induced Spin Crossover in the Porous {FeII(pz)[PdII(SCN)4]} 3D Coordination Polymer
• Authors of publication: Francisco J. Muñoz-Lara; Zulema Arcís-Castillo; M. Carmen Muñoz; J. Alberto Rodríguez-Velamazán; Ana B. Gaspar; José A. Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11126 - 11132
• a: 8.673 ± 0.0011 Å
• b: 8.673 ± 0.0011 Å
• c: 7.201 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 541.67 ± 0.11 ų
• Cell temperature: 230 ± 1 K
• Ambient diffraction temperature: 230 ± 1 K
• Number of distinct elements: 6
• Space group number: 83
• Hermann-Mauguin space group symbol: P 4/m
• Hall space group symbol: -P 4
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No