Information card for entry 7052269

Structure parameters

• Formula: C22 H28 Cl4 Mn N4 O
• Calculated formula: C22 H28 Cl4 Mn N4 O
• SMILES: [nH]1c([n+](c2c1cccc2)C)[C@H]1C[C@H](CCC1)c1[nH]c2ccccc2[n+]1C.[Mn](Cl)(Cl)(Cl)Cl.O
• Title of publication: Conformational effects in molecular tectons containing protonated benzimidazole cations
• Authors of publication: Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 851
• a: 9.5492 ± 0.0008 Å
• b: 9.8088 ± 0.0009 Å
• c: 14.7179 ± 0.0013 Å
• α: 84.185 ± 0.01°
• β: 86.801 ± 0.01°
• γ: 65.969 ± 0.009°
• Cell volume: 1252.4 ± 0.2 ų
• Cell temperature: 200 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 significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No