Information card for entry 4508857

Structure parameters

• Formula: C52 H90 Cl12 Mn3 N13 Nb6 O12
• Calculated formula: C52 H89 Cl12 Mn3 N13 Nb6 O12
• Title of publication: Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes
• Authors of publication: Zhou, Huajun; Lachgar, Abdessadek
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 2384
• a: 16.5475 ± 0.0013 Å
• b: 23.0453 ± 0.0018 Å
• c: 21.7704 ± 0.0017 Å
• α: 90°
• β: 96.904 ± 0.001°
• γ: 90°
• Cell volume: 8241.8 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No