Information card for entry 7050430

Structure parameters

• Chemical name: 1,2-bis(1H-benzimidazolonium-2-yl)propane tetrachlorocobaltate(II)
• Formula: C17 H18 Cl4 Co N4
• Calculated formula: C17 H18 Cl4 Co N4
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[nH]1c([nH+]c2c1cccc2)CCCc1[nH]c2ccccc2[nH+]1
• Title of publication: Molecular bricklaying: the protonated benzimidazole moiety as a synthon for crystal engineering
• Authors of publication: Matthews, Craig J.; Broughton, Vanessa; Bernardinelli, Gérald; Melich, Xavier; Brand, Guy; Willis, Anthony C.; Williams, Alan F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 354
• a: 7.6181 ± 0.0005 Å
• b: 14.6719 ± 0.0007 Å
• c: 18.3996 ± 0.0013 Å
• α: 90°
• β: 93.294 ± 0.008°
• γ: 90°
• Cell volume: 2053.2 ± 0.2 ų
• Cell temperature: 293 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: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No