Information card for entry 7050428

Structure parameters

• Chemical name: 1,2-bis(1H-benzimidazolonium-2-yl)ethane tetrachloromanganate(II)
• Formula: C16 H16 Cl4 Mn N4
• Calculated formula: C16 H16 Cl4 Mn N4
• SMILES: c1(CCc2[nH]c3ccccc3[nH+]2)[nH]c2ccccc2[nH+]1.Cl[Mn](Cl)([Cl-])[Cl-]
• 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: 10.6142 ± 0.0006 Å
• b: 10.2541 ± 0.0009 Å
• c: 18.4091 ± 0.0011 Å
• α: 90°
• β: 105.005 ± 0.007°
• γ: 90°
• Cell volume: 1935.3 ± 0.2 ų
• Cell temperature: 250 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.463
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No