Information card for entry 7208484

Structure parameters

• Formula: C18 H16 Cl5 Cu N5
• Calculated formula: C18 H16 Cl5 Cu N5
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[Cl-].[nH]1c(nc(c1c1cc[nH+]cc1)c1cc[nH+]cc1)c1cc[nH+]cc1
• Title of publication: Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole
• Authors of publication: Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6146
• a: 6.9399 ± 0.0008 Å
• b: 14.5758 ± 0.0017 Å
• c: 21.126 ± 0.003 Å
• α: 90°
• β: 92.407 ± 0.002°
• γ: 90°
• Cell volume: 2135.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No