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Information card for entry 4321145
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Coordinates | 4321145.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | cyanocobalamin bis(lithiumchloride) solvated |
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Formula | C63 H108.4 Cl2 Co Li2 N14 O24.2 P |
Calculated formula | C63 H98 Cl2 Co Li2 N14 O24.2 P |
Title of publication | Similarities and Differences between Cobalamins and Cobaloximes. Accurate Structural Determination of Methylcobalamin and of LiCl- and KCl-Containing Cyanocobalamins by Synchrotron Radiation |
Authors of publication | Lucio Randaccio; Michela Furlan; Silvano Geremia; Miroslav Šlouf; Ivana Srnova; Daniele Toffoli |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 3403 - 3413 |
a | 15.36 ± 0.001 Å |
b | 22.493 ± 0.001 Å |
c | 23.83 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8233.1 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.1247 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.8 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4321145.html
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