Information card for entry 7200725

Structure parameters

• Formula: C25 H40 Cl2 N4 O3
• Calculated formula: C25 H36 Cl2 N4 O3
• 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: 9.2924 ± 0.0008 Å
• b: 10.5151 ± 0.0006 Å
• c: 14.2154 ± 0.0013 Å
• α: 90°
• β: 98.103 ± 0.01°
• γ: 90°
• Cell volume: 1375.13 ± 0.19 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No