Information card for entry 7003097

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: 6.71 ± 0.04 Å
• b: 8.15 ± 0.11 Å
• c: 7.98 ± 0.07 Å
• α: 110.6 ± 1.1°
• β: 108.1 ± 1.3°
• γ: 99.2 ± 1°
• Cell volume: 370 ± 9 ų
• Cell temperature: 30 ± 2 K
• Ambient diffraction temperature: 30 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No