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Information card for entry 7204876
Preview
Coordinates | 7204876.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Tris(5,5'-diamino-2,2'-bipyridine)iron(II)] bis(4-nitrophenolate) dihydrate |
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Formula | C42 H42 Fe N14 O8 |
Calculated formula | C42 H42 Fe N14 O8 |
Title of publication | Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit |
Authors of publication | Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph |
Journal of publication | CrystEngComm |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 26 |
Pages of publication | 126 |
a | 19.3682 ± 0.0007 Å |
b | 19.3682 ± 0.0007 Å |
c | 18.9884 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6168.8 ± 0.5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 159 |
Hermann-Mauguin space group symbol | P 3 1 c |
Hall space group symbol | P 3 -2c |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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