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Information card for entry 4301397
Preview
Coordinates | 4301397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H25 Fe N7 Na2 O9 |
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Calculated formula | C10 H25 Fe N7 Na2 O9 |
SMILES | c1c[n+](cc[n]1[Fe](C#[N]1[Na]2([OH2][Na]1([OH2])([OH2])([OH2])[OH2]2)([OH2])[OH2])(C#N)(C#N)(C#N)C#N)C.O.O |
Title of publication | Nonlinear Optical and Related Properties of Iron(II) Pentacyanide Complexes with Quaternary Nitrogen Electron Acceptor Units |
Authors of publication | Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; James Raftery; Rachel Shaw; Catherine A. Swanson; Inge Asselberghs; Koen Clays; Bruce S. Brunschwig; Anthony G. Fitch |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 1370 - 1379 |
a | 7.955 ± 0.0014 Å |
b | 11.154 ± 0.0019 Å |
c | 12.618 ± 0.002 Å |
α | 90° |
β | 97.897 ± 0.003° |
γ | 90° |
Cell volume | 1109 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0632 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0614 |
Weighted residual factors for all reflections included in the refinement | 0.0659 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.763 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4301397.html
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