Information card for entry 1559906

Structure parameters

• Chemical name: (μ-cyano)-tetracyano-nitrosyl-(3,3'-(piperazine-1,4-diyl) dipropan-1-amine)-iron(ii)-copper(ii)
• Formula: C15 H24 Cu Fe N10 O
• Calculated formula: C15 H24 Cu Fe N10 O
• SMILES: [Cu]123([N]4(CC[N]1(CC4)CCC[NH2]2)CCC[NH2]3)[N]#C[Fe](N=O)(C#N)(C#N)(C#N)C#N
• Title of publication: Structure and magnetic properties of binuclear [Cu(amppz) (μ-NC)Fe(CN)4NO] (amppz = 1,4-bis(3-aminopropyl) piperazine)
• Authors of publication: Smékal, Zdeněk; Maris, Thierry; Korabik, Maria
• Journal of publication: Journal of coordination chemistry
• Year of publication: 2014
• Journal volume: 67
• Pages of publication: 3167 - 3175
• a: 10.5603 ± 0.0005 Å
• b: 10.7805 ± 0.0005 Å
• c: 18.3122 ± 0.0008 Å
• α: 90°
• β: 95.561 ± 0.002°
• γ: 90°
• Cell volume: 2074.95 ± 0.16 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No