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. 2021 Jan 1;8(Pt 1):76–86. doi: 10.1107/S2052252520015079

Table 3. Selected bond distances (in Å) and polyhedral distortion (Δ × 10−4) for fibre_T and fibre_C.

Note: polyhedron distortion Δ as defined by Shannon (1976), Δ = (1/n)Σ[(R iR)/R]2, where n is the number of ligands, R is the average bond length and R i is an individual bond length.

    fibre_T fibre_C     fibre_T fibre_C
T(1) O(1) 1.616 (4) 1.610 (4) T(2) O(2) 1.618 (4) 1.614 (4)
  O(5) 1.620 (4)0 1.616 (4)   O(4) 1.604 (4) 1.603 (4)
  O(6) 1.627 (4) 1.625 (4)   O(5) 1.631 (4) 1.631 (4)
  O(7) 1.610 (2) 1.606 (2)   O(6) 1.647 (4) 1.643 (4)
  Average 1.618 (4) 1.614 (4)   Average 1.625 (4) 1.623 (4)
  Δ 0.146 0.196   Δ 0.955 0.899
M(1) O(1) × 2 2.078 (4) 2.076 (4) M(2) O(1) × 2 2.163 (4) 2.165 (4)
  O(2) × 2 2.167 (4) 2.165 (4)   O(2) × 2 2.122 (4) 2.122 (4)
  O(3) × 2 2.066 (4) 2.061 (5)   O(4) × 2 2.053 (4) 2.049 (4)
  Average 2.104 (4) 2.101 (4)   Average 2.113 (4) 2.112 (4)
  Δ 4.670 4.652   Δ 4.688 5.223
M(3) O(1) × 4 2.118 (4) 2.119 (4) M(4) O(2) × 2 2.147 (4) 2.149 (4)
  O(3) × 2 2.051 (6) 2.047 (6)   O(4) × 2 2.004 (4) 2.000 (4)
          O(6) × 2 2.674 (4) 2.667 (5)
  Average 2.096 (5) 2.095 (5)   Average 2.275 (4) 2.272 (4)
  Δ 2.324 2.688   Δ 147.021 145.692