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Information card for entry 7017602
Preview
Coordinates | 7017602.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 B2 F8 Fe N2 P2 S2 |
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Calculated formula | C40 H40 B2 F8 Fe N2 P2 S2 |
SMILES | [B](F)(F)(F)[F-].c12ccccc1[S]1CC[P]([Fe]341([NH2]2)[NH2]c1ccccc1[S]3CC[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
Title of publication | Hemilabile and reversible carbon monoxide binding properties of iron(II), cobalt(II) and nickel(II) complexes containing a new tridentate P-S-N ligand. |
Authors of publication | Tate, Christopher W.; deMello, Andrew; Gee, Antony D.; Kealey, Steven; Vilar, Ramon; White, Andrew J. P.; Long, Nicholas J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 1 |
Pages of publication | 83 - 89 |
a | 11.8126 ± 0.0007 Å |
b | 13.2594 ± 0.0006 Å |
c | 12.5685 ± 0.0005 Å |
α | 90° |
β | 96.625 ± 0.004° |
γ | 90° |
Cell volume | 1955.43 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0794 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1259 |
Weighted residual factors for all reflections included in the refinement | 0.1458 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
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/7017602.html
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