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Information card for entry 2229822
Preview
Coordinates | 2229822.cif |
---|---|
Structure factors | 2229822.hkl |
Original IUCr paper | HTML |
Chemical name | (μ-Ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>')bis[dicarbonyl(η^5^- cyclopentadienyl)iron(II)] bis(tetrafluoridoborate) |
---|---|
Formula | C16 H18 B2 F8 Fe2 N2 O4 |
Calculated formula | C16 H18 B2 F8 Fe2 N2 O4 |
SMILES | [B](F)(F)(F)[F-].[cH]12[cH]3[cH]4[Fe]513(C#[O])(C#[O])([cH]4[cH]25)[NH2]CC[NH2][Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].[B](F)(F)(F)[F-] |
Title of publication | (μ-Ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>')bis[dicarbonyl(η^5^-cyclopentadienyl)iron(II)] bis(tetrafluoridoborate) |
Authors of publication | M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Omondi, Bernard |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | m485 |
a | 11.5593 ± 0.0007 Å |
b | 15.5194 ± 0.0009 Å |
c | 12.4056 ± 0.0008 Å |
α | 90° |
β | 95.774 ± 0.001° |
γ | 90° |
Cell volume | 2214.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229822.html
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Users of the data should acknowledge the original authors of the
structural data.