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Information card for entry 7037824
Preview
Coordinates | 7037824.cif |
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Original paper (by DOI) | HTML |
Formula | C116 H195 N14 O20.5 P4 |
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Calculated formula | C116 H195 N14 O20.5 P4 |
Title of publication | Fluorescent asymmetric bis-ureas for pyrophosphate recognition in pure water. |
Authors of publication | Casula, Arianna; Bazzicalupi, Carla; Bettoschi, Alexandre; Cadoni, Enzo; Coles, Simon J.; Horton, Peter N.; Isaia, Francesco; Lippolis, Vito; Mapp, Lucy K.; Marini, Giada M.; Montis, Riccardo; Scorciapino, Mariano Andrea; Caltagirone, Claudia |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 7 |
Pages of publication | 3078 - 3085 |
a | 16.1474 ± 0.0007 Å |
b | 28.4487 ± 0.0012 Å |
c | 26.504 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12175.2 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0602 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1288 |
Weighted residual factors for all reflections included in the refinement | 0.1355 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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