Information card for entry 7200720

Structure parameters

• Formula: C18 H24 Cl2 N4 O2
• Calculated formula: C18 H24 Cl2 N4 O2
• SMILES: C(Cc1[nH]c2ccccc2[nH+]1)CCc1[nH]c2ccccc2[nH+]1.[Cl-].O.[Cl-].O
• Title of publication: Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts
• Authors of publication: Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1416
• a: 7.0599 ± 0.0011 Å
• b: 8.7225 ± 0.0014 Å
• c: 8.8705 ± 0.0015 Å
• α: 68.766 ± 0.018°
• β: 78.791 ± 0.019°
• γ: 69.544 ± 0.018°
• Cell volume: 475.61 ± 0.15 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No