Information card for entry 4350263

Structure parameters

• Formula: C28 H16 Cu2 Fe N12
• Calculated formula: C28 H16 Cu2 Fe N12
• Title of publication: {Fe(3CNpy)2[Cu(3CNpy)(mu-CN)2]2}: a one-dimensional cyanide-based spin-crossover coordination polymer.
• Authors of publication: Galet, Ana; Muñoz, M Carmen; Real, José Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4583 - 4585
• a: 6.849 ± 0.0003 Å
• b: 7.78 ± 0.0004 Å
• c: 13.726 ± 0.0008 Å
• α: 73.765 ± 0.002°
• β: 84.77 ± 0.002°
• γ: 80.681 ± 0.002°
• Cell volume: 692.15 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No