The new
Since the first reports of
Structural illustrations for monomeric
All reactions were carried out in Schlenk apparatus under a nitrogen atmosphere. All nonmetallic reagents were obtained commercially, and
Anal. Calc. for
Single crystals of the compound were examined under Paratone oil, and a suitable crystal was selected for data collection. It was transferred to a Nonius Kappa CCD diffractometer where it was held in place on a glass fiber through the use of a cold nitrogen stream. The programs COLLECT, DENZO-SMN, and SCALEPAC [
Crystal and experimental data.
Empirical formula | C8H16CdFeN4O4 |
Formula weight | 400.50 |
Temperature (K) | 150(1) K |
Wavelength (Å) | 0.71073 Å |
Crystal system | Monoclinic |
Space group |
|
Unit cell dimensions | |
|
14.4137(3) |
|
7.6574(1) |
|
14.5465(2) |
|
119.497(1) |
Volume (Å3) | 1397.41(4) |
|
4 |
|
1.904 |
|
2.571 |
|
792 |
|
1.61–27.48 |
Limiting indices |
|
|
|
|
|
Reflections collected/unique | 5999/3178 |
Completeness (%) | 99.4% |
Goodness of fit on |
1.093 |
|
|
|
|
(Δ |
0.375, −0.259 |
|
0.0105 |
Selected bond lengths (Å) and angles (°) for (en)2CdFe(CO)4.
Bond distances | |||
Fe1-C1 | 1.7558(17) | C1-O1 | 1.162(2) |
Fe1-C2 | 1.7642(16) | C2-O2 | 1.174(2) |
Fe1-C3 | 1.7584(17) | C3-O3 | 1.177(2) |
Fe1-C4 | 1.7586(17) | C4-O4 | 1.162(2) |
Cd1-N1 | 2.3976(14) | Cd1-N3 | 2.3819(15) |
Cd1-N2 | 2.3957(14) | Cd1-N4 | 2.4163(14) |
Cd1-Fe1 | 2.6250(2) | ||
Bond angles | |||
C1-Fe1-C2 | 104.05(7) | N1-Cd1-N2 | 73.50(5) |
C1-Fe1-C3 | 103.08(7) | N1-Cd1-N3 | 125.80(6) |
C1-Fe1-C4 | 97.40(8) | N1-Cd1-N4 | 83.47(5) |
C2-Fe1-C3 | 116.88(8) | N2-Cd1-N3 | 87.46(5) |
C2-Fe1-C4 | 115.88(8) | N2-Cd1-N4 | 132.82(6) |
C3-Fe1-C4 | 115.53(8) | N3-Cd1-N4 | 73.39(5) |
Cd1-Fe1-C1 | 174.29(6) | Fe1-Cd1-N1 | 120.81(4) |
Cd1-Fe1-C2 | 79.06(5) | Fe1-Cd1-N2 | 113.20(4) |
Cd1-Fe1-C3 | 79.39(5) | Fe1-Cd1-N3 | 113.37(4) |
Cd1-Fe1-C4 | 76.90(6) | Fe1-Cd1-N4 | 113.97(4) |
Fe1-C1-O1 | 178.75(16) | Fe1-C3-O3 | 177.92(14) |
Fe1-C2-O2 | 178.08(15) | Fe1-C4-O4 | 176.35(16) |
Molecular structure of the
The CCDC deposition 978825 contains the full crystallographic information for this structure. These data can be obtained free of charge via
The
The structure of
The Cd-Fe distance of 2.6250(2) Å in
There are short intramolecular contacts between the cadmium center and the three adjacent carbonyl carbon atoms (Cd-C2, 2.871 Å, Cd-C3, 2.878 Å, and Cd-C4, 2.809 Å). Comparable contacts have been observed in other species, such as
The incorporation of en into a
The authors declare that there is no conflict of interests regarding the publication of this paper.