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Information card for entry 7032877
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Coordinates | 7032877.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 5c*0.5EtOEt [Fe(k3-P,N,P-PNP-Et)2](BPh4)2*0.5EtOEt |
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Chemical name | 5c.0.5EtOEt – [Fe(k^3^-P,N,P-PNP-Et)~2~](BPh~4~)~2~.0.5EtOEt |
Formula | C76 H95 B2 Fe N6 O0.5 P4 |
Calculated formula | C76 H95 B2 Fe N6 O0.5 P4 |
Title of publication | Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands–the significance of sterics. |
Authors of publication | Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 1 |
Pages of publication | 281 - 294 |
a | 13.3977 ± 0.0013 Å |
b | 14.1994 ± 0.0014 Å |
c | 21.6176 ± 0.0019 Å |
α | 93.677 ± 0.003° |
β | 105.861 ± 0.003° |
γ | 117.314 ± 0.003° |
Cell volume | 3427.4 ± 0.6 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for significantly intense reflections | 1.61 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.53 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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