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Information card for entry 4339282
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Coordinates | 4339282.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H95.78 Co Gd N9 O30.89 P |
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Calculated formula | C39 H61.3333 Co Gd N9 O31.1 P |
Title of publication | Structural, kinetic, and thermodynamic characterization of the interconverting isomers of MS-325, a gadolinium(III)-based magnetic resonance angiography contrast agent. |
Authors of publication | Tyeklar, Zoltan; Dunham, Stephen U.; Midelfort, Katarina; Scott, Daniel M.; Sajiki, Hirano; Ong, Karen; Lauffer, Randall B.; Caravan, Peter; McMurry, Thomas J. |
Journal of publication | Inorganic chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Journal issue | 16 |
Pages of publication | 6621 - 6631 |
a | 41.7541 ± 0.0003 Å |
b | 41.7541 ± 0.0003 Å |
c | 9.4252 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 14230.5 ± 0.2 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
Space group number | 145 |
Hermann-Mauguin space group symbol | P 32 |
Hall space group symbol | P 32 |
Residual factor for all reflections | 0.0717 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for all reflections | 0.1088 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Goodness-of-fit parameter for all reflections | 1.084 |
Goodness-of-fit parameter for significantly intense reflections | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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