Information card for entry 7013702

Structure parameters

• Formula: C24 H32 N10 Ni O10
• Calculated formula: C24 H32 N10 Ni O10
• SMILES: C(=O)([O-])c1ccncc1.c12c3[nH]cc[n]3[Ni]3([n]1cc[nH]2)([n]1c(c2[nH]cc[n]32)[nH]cc1)([OH2])[OH2].O.O.C(=O)(c1ccncc1)[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: 9.4143 ± 0.0016 Å
• b: 10.2573 ± 0.0018 Å
• c: 8.695 ± 0.0018 Å
• α: 100.789 ± 0.016°
• β: 107.753 ± 0.015°
• γ: 105.279 ± 0.014°
• Cell volume: 738 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No