Information card for entry 4330732

Structure parameters

• Formula: C5 H6 Fe0.5 N3 O Pd0.5 S2
• Calculated formula: C5 H6 Fe0.5 N3 O Pd0.5 S2
• 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: 7.5717 ± 0.0002 Å
• b: 7.7015 ± 0.001 Å
• c: 8.5073 ± 0.0006 Å
• α: 86.851 ± 0.002°
• β: 87.601 ± 0.009°
• γ: 69.575 ± 0.001°
• Cell volume: 464.06 ± 0.07 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No