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Information card for entry 7102695
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Coordinates | 7102695.cif |
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Original paper (by DOI) | HTML |
Common name | 2,2'-Phenanthroline-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii) |
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Chemical name | 2,2'-Phenanthroline-bis[di(hydro)bis(1-pyrazolyl)borate iron(II) |
Formula | C24 H24 B2 Fe N10 |
Calculated formula | C24 H24 B2 Fe N10 |
SMILES | [Fe]123([n]4cccc5c4c4[n]2cccc4cc5)([n]2[n]([BH2][n]4[n]1ccc4)ccc2)[n]1[n]([BH2][n]2[n]3ccc2)ccc1 |
Title of publication | Thermal and light induced polymorphism in iron(II) spin crossover compounds. |
Authors of publication | Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 12 |
Pages of publication | 1390 - 1391 |
a | 10.727 ± 0.007 Å |
b | 12.415 ± 0.008 Å |
c | 10.712 ± 0.006 Å |
α | 67.473 ± 0.015° |
β | 110.377 ± 0.015° |
γ | 93.505 ± 0.011° |
Cell volume | 1231 ± 1.3 Å3 |
Cell temperature | 30 ± 2 K |
Ambient diffraction temperature | 30 ± 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 | 0.1259 |
Residual factor for significantly intense reflections | 0.0798 |
Weighted residual factors for significantly intense reflections | 0.162 |
Weighted residual factors for all reflections included in the refinement | 0.1818 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/7102695.html
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structural data.