Table 2.
| [2][BF4] | [3][BF4] | [5][BF4] | [Fc][BF4] | |
|---|---|---|---|---|
| Ccarbene−N | 1.344[6] | 1.349[6] | 1.351[3] | - |
| Ccarbene−Au | 2.015[5] | 2.014[5] | 2.115[3] | - |
| N—C=C—N | 1.330[8] | 1.341[9] | 1.347[4] | - |
| CCH2−N | 1.496[7] | 1.456[7] | 1.476[3] | - |
| CCH2−CCpc | 1.482[8] | 1.498[8] | 1.485[4] | - |
| Fe−CCp | 2.013[7] | 2.079[6] | 2.036[3] | 2.095[5] |
| N−Ccarbene−N | 105.0(4) | 105.6[4] | 105.1[2] | |
| C−Au−C | 175.8(2) | 175.2(2) | 177.2[2] | |
| N-CCH2-Ccp | 111.7[4] | 112.5[4] | 111.1[2] | |
| CTCp-CTCp | 3.262 | 3.401 | 3.289 | 3.421 |
| Fe-CTCpd | 1.631 | 1.711 | 1.644 | 1.711 |
Average values are reported when two or more chemically identical interatomic distances or angles are present.
Uncertainties were computed according to Taylor, J. R. An Introduction to Error Analysis, 2nd ed.; University Science Books: Sausalito, CA, 1997; pp 73–77. The generated uncertainty numbers are represented within [ ]. Cp = cyclopentadienly; CT = centroid.
Ccp represents a carbon atom part of cyclopentadienyl ring that is attached the iron atom.
CTcp represents centroid defined by carbon atoms that constitutes cyclopentadienyl ring.