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- W2979654857 abstract "We have prepared crystals of [Fe(TTP)(NO)] (TTP = tetratolylporphyrin), a five-coordinate nitrosyl complex and determined its crystal and molecular structure at two temperatures. The crystal structure at 100 K reveals two independent molecules in the asymmetric unit of the structure. One molecule is completely ordered and the second molecule has a moderately disordered nitrosyl ligand. Both molecules show similar structural features: a substantial off-axis tilt of the Fe–N(NO) bond and an asymmetry of the equatorial Fe–N[Formula: see text] bonds that is correlated with the tilt. The axial Fe–N(NO) bond distances are 1.7230 (9) and 1.7210 (10) Å; the Fe–N–O bond angles are 141.62 (8) and 140.04 (10)[Formula: see text]. Determination of the structure at ambient temperature (293 K) showed an unexpected phase change, a crystal structure with one molecule per asymmetric unit containing the superposition of the two molecules at lower temperature. However, there was an increase in the NO disorder." @default.
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- W2979654857 date "2020-05-01" @default.
- W2979654857 modified "2023-09-26" @default.
- W2979654857 title "Temperature effects on structure: Five-coordinate (nitrosyl)(tetratolylporphinato)iron(II)" @default.
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- W2979654857 doi "https://doi.org/10.1142/s1088424619501517" @default.
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