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Information card for entry 7007478
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Coordinates | 7007478.cif |
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Original paper (by DOI) | HTML |
Common name | (Gd.DOTAPh)Br!3$ |
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Chemical name | [Gd.DOTAPh]Br~3~ |
Formula | C48 H66 Br3 Gd N8 O5 |
Calculated formula | C48 H66 Br3 Gd N8 O5 |
Title of publication | On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes. |
Authors of publication | Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 47 |
Pages of publication | 5605 - 5616 |
a | 19.0018 ± 0.0011 Å |
b | 19.0018 ± 0.0011 Å |
c | 14.7698 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5332.9 ± 0.6 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 6 |
Space group number | 94 |
Hermann-Mauguin space group symbol | P 42 21 2 |
Hall space group symbol | P 4n 2n |
Residual factor for all reflections | 0.0848 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1188 |
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/7007478.html
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