Information card for entry 7003099

Structure parameters

• Common name: Fe(Pmd)2(Cu(CN)2)2
• Chemical name: Fe(Pmd)2[Cu(CN)2]2
• Formula: C12 H8 Cu2 Fe N8
• Calculated formula: C12 H8 Cu2 Fe N8
• Title of publication: Thermal, pressure and light induced spin transition in the two-dimensional coordination polymer {Fe(pmd)2[Cu(CN)2]2}
• Authors of publication: Agustí, Gloria; Thompson, Amber L.; Gaspar, Ana B.; Muñoz, M. Carmen; Goeta, Andrés E.; Rodríguez-Velamazán, José Alberto; Castro, Miguel; Burriel, Ramón; Real, José Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 642 - 649
• a: 6.7584 ± 0.0012 Å
• b: 8.0796 ± 0.0015 Å
• c: 7.9862 ± 0.0015 Å
• α: 110.102 ± 0.003°
• β: 108.5 ± 0.004°
• γ: 99.272 ± 0.004°
• Cell volume: 370.06 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No