Information card for entry 4500680

Structure parameters

• Formula: C56 H50 Cu Mo8 N12 O26
• Calculated formula: C56 H50 Cu Mo8 N12 O26
• Title of publication: pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand
• Authors of publication: Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2920
• a: 10.9471 ± 0.0003 Å
• b: 11.5905 ± 0.0004 Å
• c: 14.5109 ± 0.0005 Å
• α: 104.956 ± 0.003°
• β: 95.054 ± 0.002°
• γ: 110.967 ± 0.003°
• Cell volume: 1627.46 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No