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Information card for entry 7013701
Preview
Coordinates | 7013701.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H28 Co N8 O10 |
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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 Å3 |
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 |
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