Information card for entry 7013703

Structure parameters

• Formula: C26 H34 N8 Ni O16
• Calculated formula: C26 H34 N8 Ni O16
• SMILES: C(=O)([O-])c1cc(c(c(c1)O)O)O.[Ni]12([n]3c(c4[n]1cc[nH]4)[nH]cc3)([n]1c(c3[nH]cc[n]23)[nH]cc1)([OH2])[OH2].O.O.C(=O)(c1cc(c(c(c1)O)O)O)[O-].O.O
• Title of publication: Robust hydrogen-bonded self-assemblies from biimidazole complexes. Synthesis and structural characterization of [M(biimidazole)2(OH2)2]2+ (M = Co2+, Ni2+) complexes and carboxylate modules.
• Authors of publication: Atencio, Reinaldo; Chacón, Mirbel; González, Teresa; Briceño, Alexander; Agrifoglio, Giuseppe; Sierraalta, Anibal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 505 - 513
• a: 12.135 ± 0.005 Å
• b: 9.265 ± 0.004 Å
• c: 13.992 ± 0.004 Å
• α: 90°
• β: 98.08 ± 0.03°
• γ: 90°
• Cell volume: 1557.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1217
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No