Information card for entry 7107504

Structure parameters

• Formula: C407 H627 Cu12 Mn8 N32 O95 S20
• Calculated formula: C407 H621 Cu12 Mn8 N32 O95 S20
• Title of publication: Ligand effects on the dimensionality of oxamato-bridged mixed-metal open-framework magnets
• Authors of publication: Jesus Ferrando-Soria; Thais Grancha; Miguel Julve; Joan Cano; Francesc Lloret; Yves Journaux; Jorge Pasan; Catalina Ruiz-Perez; Emilio Pardo
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3539
• a: 16.861 ± 0.003 Å
• b: 18.896 ± 0.004 Å
• c: 42.547 ± 0.009 Å
• α: 88.032 ± 0.009°
• β: 88.979 ± 0.01°
• γ: 66.792 ± 0.009°
• Cell volume: 12451 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1707
• Residual factor for significantly intense reflections: 0.1457
• Weighted residual factors for significantly intense reflections: 0.4283
• Weighted residual factors for all reflections included in the refinement: 0.4484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.774
• Diffraction radiation wavelength: 0.7385 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No