Information card for entry 4503124

Structure parameters

• Formula: C54 H80 Cl12 Mn2 N12 Nb6 O10
• Calculated formula: C54 H28 Cl12 Mn2 N12 Nb6 O10
• Title of publication: Metal‒Ligand Directed Assembly of Layered Cluster-Based Coordination Polymer and Its Solvent-Mediated Structural Transformations
• Authors of publication: Zhang, Jian-Jun; Zhao, Yue; Gamboa, Sergio Aarón; Lachgar, Abdessadek
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 172
• a: 13.381 ± 0.002 Å
• b: 20.966 ± 0.004 Å
• c: 13.915 ± 0.002 Å
• α: 90°
• β: 91.546 ± 0.003°
• γ: 90°
• Cell volume: 3902.4 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No