Information card for entry 7212598

Structure parameters

• Formula: C72 H66 Fe4 Ho2 N30 O20
• Calculated formula: C72 H38 Fe4 Ho2 N30 O20
• SMILES: c1[n]2[Ho]([N]#C[Fe]3(C#N)(C#N)(C#N)[n]4cccc5c4c4c(cc5)ccc[n]34)([N]#C[Fe]3(C#N)(C#N)([n]4cccc5ccc6ccc[n]3c6c45)C#N)(ON(=O)=O)([OH2])([OH2])([OH2])[n]3ccc[n]4c3c2[n](cc1)[Ho]4([N]#C[Fe]1(C#N)(C#N)(C#N)[n]2cccc3c2c2c(cc3)ccc[n]12)([N]#C[Fe]1(C#N)(C#N)(C#N)[n]2cccc3c2c2c(cc3)ccc[n]12)(ON(=O)=O)([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: [Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)
• Authors of publication: Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2454
• a: 10.045 ± 0.0009 Å
• b: 15.013 ± 0.001 Å
• c: 16.629 ± 0.0015 Å
• α: 95.024 ± 0.004°
• β: 104.536 ± 0.004°
• γ: 92.254 ± 0.005°
• Cell volume: 2413.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No