Information card for entry 7107746

Structure parameters

• Formula: C88 H132 B4 Fe6 N52 O26
• Calculated formula: C88 H80 B4 Fe6 N52 O26
• SMILES: [BH]12n3ccc[n]3[Fe]3(C#N)([n]4n1ccc4)([n]1n2ccc1)C#[N][Fe]12([N]#C[Fe]45(C#[N][Fe]67([N]#C3)([n]3ccn(C)c3C(=O)c3[n]6ccn3C)[n]3ccn(C)c3C(=O)c3[n]7ccn3C)(C#N)[n]3cccn3[BH](n3[n]4ccc3)n3ccc[n]53)([n]3ccn(C)c3C(=O)c3[n]1ccn3C)[n]1ccn(C)c1C(=O)c1[n]2ccn1C.C(#N)[Fe]12(C#N)(C#N)[n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21.CO.CO.O.O.O.O.O.O.O.O.O.[BH]12n3ccc[n]3[Fe](C#N)(C#N)(C#N)([n]3cccn13)[n]1cccn21.CO.CO.O.O.O.O.O.O.O.O.O
• Title of publication: Photomagnetic effect in a mixed-valence {Fe II/2 Fe III/2} cyanide-bridged molecular square.
• Authors of publication: Abhishake Mondal; Yanling Li; Patrick Herson; Mannan Seuleiman; Marie-Laure Boillot; Eric Riviere; Miguel Julve; Lionel Rechignat; Azzedine Bousseksou; Rodrigue Lescouezec
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5653
• a: 13.1932 ± 0.0004 Å
• b: 13.2686 ± 0.0004 Å
• c: 20.6938 ± 0.0008 Å
• α: 96.856 ± 0.002°
• β: 102.91 ± 0.002°
• γ: 113.861 ± 0.001°
• Cell volume: 3138.52 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections: 0.1975
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9607
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No