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Information card for entry 7203717
Preview
Coordinates | 7203717.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate |
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Chemical name | Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate |
Formula | C27.5 H28.25 Cl2 Fe N10.75 O12 |
Calculated formula | C28.25 H26 Cl2 Fe N10 O12 |
Title of publication | An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling |
Authors of publication | Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow |
Journal of publication | CrystEngComm |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 23 |
Pages of publication | 151 |
a | 22.8535 ± 0.0002 Å |
b | 11.6789 ± 0.0001 Å |
c | 27.9986 ± 0.0003 Å |
α | 90° |
β | 107.612 ± 0.0005° |
γ | 90° |
Cell volume | 7122.65 ± 0.12 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1025 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.2076 |
Weighted residual factors for all reflections included in the refinement | 0.2341 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7203717.html
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