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. Author manuscript; available in PMC: 2023 Jan 25.
Published in final edited form as: Dalton Trans. 2022 Jan 25;51(4):1533–1541. doi: 10.1039/d1dt03174k

Table 2.

Selected Bond Length (Å) and Angles (deg) for complexes [2][BF4], [3][BF4]3, and [5][BF4]a,b.

[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
a

Average values are reported when two or more chemically identical interatomic distances or angles are present.

b

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.

c

Ccp represents a carbon atom part of cyclopentadienyl ring that is attached the iron atom.

d

CTcp represents centroid defined by carbon atoms that constitutes cyclopentadienyl ring.