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Information card for entry 4067459
Preview
Coordinates | 4067459.cif |
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Original paper (by DOI) | HTML |
Formula | C5 H9 B7 Fe O4 |
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Calculated formula | C5 H9 B7 Fe O4 |
SMILES | [C]123(O)[Fe]456([BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[CH]491)(C#[O])(C#[O])C#[O] |
Title of publication | Toward Supramolecular Assembly of 10-Vertex {closo-2,1,10-FeC2B7} Clusters: Intramolecular Imidate Formation and Polymetallic, Polycluster Species |
Authors of publication | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 10 |
Pages of publication | 2234 |
a | 7.4943 ± 0.0004 Å |
b | 11.5596 ± 0.0006 Å |
c | 19.5362 ± 0.001 Å |
α | 93.42 ± 0.002° |
β | 97.911 ± 0.002° |
γ | 90.151 ± 0.002° |
Cell volume | 1673.25 ± 0.15 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0594 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0843 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4067459.html
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