Information card for entry 4503122

Structure parameters

• Formula: C102 H88 Cl12 Mn4 N20 Nb6 O16
• Calculated formula: C102 H88 Cl12 Mn4 N20 Nb6 O16
• 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: 21.822 ± 0.004 Å
• b: 17.499 ± 0.003 Å
• c: 29.117 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11119 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No