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. 2019 Aug 2;6(Pt 5):884–894. doi: 10.1107/S2052252519009230

Table 5. Topological properties at the saddle critical points.

Distances are given in Å, ρ in e Å−3 and Inline graphic in e Å−5.

Bonds (XY) d (XY) d (X—cp) d (Y—cp) Inline graphic ρ(cp)
O1—Ti 2.0164 (8) 1.00 1.02 8.94 0.59
O2—Ti 2.0194 (9) 1.00 1.02 9.25 0.58
O2′—Ti 2.0784 (7) 1.02 1.07 9.10 0.47
O1—Y′ 2.234 (1) 1.00 1.24 7.06 0.71
O2—Y′′ 2.2778 (7) 1.00 1.27 7.02 0.62
O1—Y 2.310 (1) 1.03 1.29 4.07 0.64
O2—Y 2.5008 (9) 1.11 1.40 3.90 0.36
O2—Y′′′ 2.677 (1) 1.19 1.49 2.71 0.24