Information card for entry 7058252

Structure parameters

• Formula: C30 H20 Fe Ho N10 O8
• Calculated formula: C30 H20 Fe Ho N10 O8
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Ho]2([n]13)([N]#C[Fe](C#N)(C#N)(C#[N][Ho]13([n]4cccc5c4c4c(cc5)ccc[n]14)([OH2])([n]1cccc4c1c1c(cc4)ccc[n]31)([N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N)[OH2])(C#N)C#N)([OH2])([n]1cccc3c1c1c(cc3)ccc[n]21)[OH2].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Syntheses, structures and magnetic properties of cyano-bridged one-dimensional Ln3±-Fe3+ (Ln = La, Dy, Ho and Yb) coordination polymers
• Authors of publication: Pal, Souvik; Dey, Kartick; Benmansour, Samia; Gómez-García, Carlos J.; Nayek, Hari Pada
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6228
• a: 23.6159 ± 0.0009 Å
• b: 12.3991 ± 0.0005 Å
• c: 15.1656 ± 0.0008 Å
• α: 90°
• β: 116.836 ± 0.006°
• γ: 90°
• Cell volume: 3962.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No