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Information card for entry 2312386
Preview
Coordinates | 2312386.cif |
---|---|
Structure factors | 2312386.hkl |
Original IUCr paper | HTML |
Chemical name | <i>cis</i>-Bis[bis(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i>^1^)iron(II) dihydrate |
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Formula | C20 H18 Fe N16 O2 |
Calculated formula | C20 H18 Fe N16 O2 |
Title of publication | Racemic <i>cis</i>-bis-[bis-(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i><sup>1</sup>)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis. |
Authors of publication | Saadallah, Yaakoub; Setifi, Zouaoui; Jelsch, Christian; Setifi, Fatima; Al-Douh, Mohammed Hadi; Satour, Achouak; Glidewell, Christopher |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2023 |
Journal volume | 79 |
Journal issue | Pt 10 |
Pages of publication | 936 - 941 |
a | 8.196 ± 0.0007 Å |
b | 10.4671 ± 0.0011 Å |
c | 14.7926 ± 0.0014 Å |
α | 105.254 ± 0.004° |
β | 92.903 ± 0.003° |
γ | 90.356 ± 0.004° |
Cell volume | 1222.5 ± 0.2 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 | 0.069 |
Residual factor for significantly intense reflections | 0.0669 |
Weighted residual factors for significantly intense reflections | 0.1565 |
Weighted residual factors for all reflections included in the refinement | 0.1573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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