Information card for entry 7204527

Structure parameters

• Common name: (4,4'-Biimidazole)-(4,4'-biimidazolium chloride)~2~ mixed complex
• Chemical name: (4,4'-Biimidazole)-(4,4'-biimidazolium chloride)~2~dihydrate
• Formula: C18 H24 Cl2 N12 O2
• Calculated formula: C18 H24 Cl2 N12 O2
• SMILES: c1[nH]c(c[nH+]1)c1c[nH]cn1.c1nc(c[nH]1)c1c[nH]cn1.O.[Cl-].c1[nH]c(c[nH+]1)c1c[nH]cn1.O.[Cl-]
• Title of publication: Novel building blocks for crystal engineering: the first synthesis of oligo(imidazole)sElectronic supplementary information (ESI) available: synthetic procedures and characterisation details for 2, 3, 4 and 5, and X-ray crystallographic data and packing views. See http://www.rsc.org/suppdata/p1/b2/b208777d/
• Authors of publication: Morita, Yasushi; Murata, Tsuyoshi; Yamada, Satoru; Tadokoro, Makoto; Ichimura, Akio; Nakasuji, Kazuhiro
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2598
• a: 23.445 ± 0.003 Å
• b: 6.949 ± 0.003 Å
• c: 15.974 ± 0.002 Å
• α: 90°
• β: 111.514 ± 0.007°
• γ: 90°
• Cell volume: 2421.2 ± 1.1 ų
• Cell temperature: 296.2 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: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No