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Information card for entry 7042182
Preview
Coordinates | 7042182.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H12 Fe2 O6 P2 |
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Calculated formula | C18 H12 Fe2 O6 P2 |
SMILES | [Fe]12([Fe]([PH]1c1ccccc1)([PH]2c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts. |
Authors of publication | Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E.; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 10 |
Pages of publication | 3207 - 3222 |
a | 8.9932 ± 0.0004 Å |
b | 10.0403 ± 0.0004 Å |
c | 12.2463 ± 0.0005 Å |
α | 96.863 ± 0.003° |
β | 98.726 ± 0.003° |
γ | 111.771 ± 0.004° |
Cell volume | 996.23 ± 0.08 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 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 | 0.0267 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0592 |
Weighted residual factors for all reflections included in the refinement | 0.0611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/7042182.html
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