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Information card for entry 4076438
Preview
Coordinates | 4076438.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H51 Fe N7 |
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Calculated formula | C37 H51 Fe N7 |
SMILES | CC1c2cc(cc3C(C)=[N](c4c(cccc4C(C)C)C(C)C)[Fe]([N]=1c1c(cccc1C(C)C)C(C)C)([n]23)([N]#N)[N]#N)C(C)(C)C |
Title of publication | Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives. |
Authors of publication | E Stieber, S Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R; Finkelstein, Kenneth D.; Wieghardt, Karl; Debeer, Serena; Chirik, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 6 |
Pages of publication | 2275 - 2285 |
a | 12.4483 ± 0.0001 Å |
b | 13.0656 ± 0.0001 Å |
c | 24.0716 ± 0.0003 Å |
α | 99.752 ± 0.001° |
β | 94.988 ± 0.001° |
γ | 100.861 ± 0.001° |
Cell volume | 3760.74 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0417 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.1058 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.52 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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