Information card for entry 7013701

Structure parameters

• Formula: C20 H28 Co N8 O10
• Calculated formula: C20 H28 Co N8 O10
• SMILES: C(=O)(c1cc(C(=O)[O-])ccc1)[O-].[Co]12([n]3c(c4[n]1cc[nH]4)[nH]cc3)([OH2])([n]1c(c3[nH]cc[n]23)[nH]cc1)[OH2].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: 14.483 ± 0.003 Å
• b: 7.97 ± 0.0016 Å
• c: 22.541 ± 0.005 Å
• α: 90°
• β: 91.4 ± 0.03°
• γ: 90°
• Cell volume: 2601.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No