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Information card for entry 2102238
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Coordinates | 2102238.cif |
---|---|
Original IUCr paper | HTML |
Formula | C20 H42 Ba N10 O15 S2 |
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Calculated formula | C20 H42 Ba N10 O15 S2 |
Title of publication | Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding |
Authors of publication | Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 1 |
Pages of publication | 46 - 64 |
a | 21.6978 ± 0.0002 Å |
b | 21.6978 ± 0.0002 Å |
c | 7.4057 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3486.56 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 78 |
Hermann-Mauguin space group symbol | P 43 |
Hall space group symbol | P 4cw |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0864 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/2102238.html
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