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Information card for entry 7016779
Preview
Coordinates | 7016779.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H28 Fe N5 O2 Se |
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Calculated formula | C30 H28 Fe N5 O2 Se |
SMILES | c12ccc3ccccc3c1C=[N]1CCC[NH]3CC[N]4=Cc5c6ccccc6ccc5O[Fe]134(N=C=[Se])O2.N#CC |
Title of publication | Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides. |
Authors of publication | Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 39 |
Pages of publication | 10090 - 10099 |
a | 11.538 ± 0.005 Å |
b | 16.723 ± 0.005 Å |
c | 14.08 ± 0.005 Å |
α | 90° |
β | 96.281 ± 0.005° |
γ | 90° |
Cell volume | 2700.4 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.0924 |
Weighted residual factors for all reflections included in the refinement | 0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/7016779.html
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