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. 2016 Aug 30;8(1):600–605. doi: 10.1039/c6sc03450k

Table 1. Selected bond distances and angles for the nickel carboxylate species 1, 2, 3, 4 and 5, and CO2-bound CODH.

1 10 2 11 3 4 10 5 CODH8b
d Ni–C (Å) 1.866(2) 1.882(1) 1.911(2) 1.888(2) 1.858(1) 1.805(31)
d M–O (Å) 2.352(1) a 1.897(2) b 2.204(1) c 2.030(18) c
2.217(1) a 2.066(1) c
2.459(1) a
d C–O (Å) 1.269(3) 1.260(1) 1.247(2) 1.240(3) 1.269(2) 1.298(30)
1.313(3) 1.271(1) 1.248(2) 1.296(3) 1.289(2) 1.316(30)
Δd C–O (Å) 0.044 0.011 0.001 0.056 0.020 0.018
∠O–C–O (°) 119.6(2) 124.0(1) 128.4(2) 123.7(2) 116.5(1) 117.2(26)

aM = Na.

bM = Ni.

cM = Fe.