Information card for entry 4500676

Structure parameters

• Formula: C28 H24 N6
• Calculated formula: C28 H24 N6
• SMILES: c1(c2ccncc2)n(c2c(cccc2)n1)CCCCn1c(c2ccncc2)nc2c1cccc2
• 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: 8.9954 ± 0.0008 Å
• b: 9.7521 ± 0.0005 Å
• c: 14.1574 ± 0.001 Å
• α: 74.025 ± 0.006°
• β: 75.373 ± 0.007°
• γ: 80.65 ± 0.006°
• Cell volume: 1149.5 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No