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Information card for entry 7048748
Preview
Coordinates | 7048748.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H10 K N6 O Re S4 |
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Calculated formula | C12 H10 K N6 O Re S4 |
Title of publication | Comparison of molybdenum and rhenium oxo bis-pyrazine-dithiolene complexes - in search of an alternative metal centre for molybdenum cofactor models. |
Authors of publication | Chrysochos, Nicolas; Ahmadi, Mohsen; Wahlefeld, Stefan; Rippers, Yvonne; Zebger, Ingo; Mroginski, Maria Andrea; Schulzke, Carola |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 8 |
Pages of publication | 2701 - 2714 |
a | 26.04 ± 0.005 Å |
b | 7.551 ± 0.0015 Å |
c | 9.56 ± 0.0019 Å |
α | 90° |
β | 92.54 ± 0.03° |
γ | 90° |
Cell volume | 1877.9 ± 0.6 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 7 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7048748.html
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Users of the data should acknowledge the original authors of the
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