Traces research regarding the solid-state structure of triiron dodecarbonyl, Fe3(CO)12.

The structure of 8-hydroxyquinoline-N-oxide was determined from diffractometer data by a direct method. The compound crystallizes in the monoclinic system with space group P21/c. The cell data are: a= 12.1364 (4), b=4.9211 (2), c= 13"1384 (4) /~, fl= I09"26 (1) °, Dealt= 1-449 g.cm -a, De,,p= 1.46 g.cm -3, Z= 4. The structure was solved by a direct method. A total of 1528 reflections were used in a full-matrix least-squares refinement. R was reduced to a final value of 0.053. Bond lengths between non-hydrogen atoms have e.s.d.'s between 0.002 and 0.003 A. The e.s.d.'s of the various bond angles (non-hydrogen atoms) range from 0"01 to 0"02 °. Distances and angles involving the hydrogen atoms have e.s.d.'s of 0.02/~ and 1 °, respectively. The two C-N distances of the quinoline ring are unusually long and the quinoline moiety is surprisingly similar to naphthalene in terms of bond distances and angles. It is believed that the inductive effect of the N-O group may in part be responsible for the C-N lengthenings. The hydroxyl hydrogen atom is bonded to the dative oxygen atom via a short intramolecular hydrogen bond. The direct relationship between the N-O dative bond distance and the strength of a hydrogen bond to the dative oxygen atom appears to be substantiated in this study.

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The structure of ammonium tricyanomethide, NH4C(CN)3 has been determined by X-ray singlecrystal diffraction techniques. The crystals are monoclinic in the space group P2~/c. The unit-cell constants are : a --9-055 + 0-007, b --3.87 _+ 0.01, c = 17.325 +_ 0.014 A, fl = 104-6 _+ 0.2 °. Atomic and thermal vibrational coordinates were refined by isotropic least-squares methods. The C(CN)~-ion is slightly nonplanar with 3m (C3v) symmetry indicating a concentration of anion charge on the central carbon atom. The three C-C distances were found to be 1.40 _+ 0.01 I and the C-N distances were 1-15 _+ 0.01A.