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Information card for entry 7059911
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Coordinates | 7059911.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H102 N6 O7 |
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Calculated formula | C62 H102 N6 O7 |
Title of publication | Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies |
Authors of publication | Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 38 |
Pages of publication | 16294 - 16301 |
a | 10.0943 ± 0.0007 Å |
b | 16.7406 ± 0.001 Å |
c | 18.719 ± 0.0012 Å |
α | 90° |
β | 91.772 ± 0.006° |
γ | 90° |
Cell volume | 3161.7 ± 0.4 Å3 |
Cell temperature | 295 ± 1 K |
Ambient diffraction temperature | 295 ± 1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1075 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.1625 |
Weighted residual factors for all reflections included in the refinement | 0.1991 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7059911.html
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structural data.