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. 2013 Sep 21;69(Pt 10):m556–m557. doi: 10.1107/S160053681302518X
Hg1—N5 2.422 (3) C10—C9 1.495 (5)
Hg1—I1 2.6606 (8) C9—C6 1.533 (5)
C19—C14 1.385 (6) C9—H9A 0.9700
C19—C18 1.397 (5) C9—H9B 0.9700
C19—H19 0.9300 C11—C4 1.444 (5)
C15—C16 1.381 (5) C11—H11 0.9300
C15—C14 1.384 (6) C12—H12 0.9300
C15—H15 0.9300 C6—C5 1.524 (5)
C16—C17 1.386 (5) C6—C8 1.526 (5)
C16—H16 0.9300 C6—C7 1.531 (6)
N5—C20 1.312 (5) C5—C4 1.494 (6)
N5—C21 1.346 (5) C5—H5A 0.9700
N3—C20 1.342 (5) C5—H5B 0.9700
N3—N4 1.364 (5) C4—C2 1.357 (5)
N3—C17 1.437 (5) C1—N1 1.131 (5)
C13—C12 1.324 (5) C1—C2 1.452 (6)
C13—C14 1.461 (5) C2—C3 1.424 (6)
C13—H13 0.9300 C3—N2 1.153 (5)
C21—N4 1.313 (5) C8—H8A 0.9600
C21—H21 0.9300 C8—H8B 0.9600
C20—H20 0.9300 C8—H8C 0.9600
C17—C18 1.360 (5) C7—H7A 0.9600
C18—H18 0.9300 C7—H7B 0.9600
C10—C11 1.354 (5) C7—H7C 0.9600
C10—C12 1.466 (5)
N5i—Hg1—N5 98.89 (15) C10—C9—H9A 108.6
N5i—Hg1—I1 96.43 (8) C6—C9—H9A 108.6
N5—Hg1—I1 109.14 (7) C10—C9—H9B 108.6
N5i—Hg1—I1i 109.15 (7) C6—C9—H9B 108.6
N5—Hg1—I1i 96.43 (8) H9A—C9—H9B 107.5
I1—Hg1—I1i 140.450 (19) C10—C11—C4 122.2 (4)
C14—C19—C18 121.6 (4) C10—C11—H11 118.9
C14—C19—H19 119.2 C4—C11—H11 118.9
C18—C19—H19 119.2 C13—C12—C10 126.0 (4)
C16—C15—C14 121.7 (4) C13—C12—H12 117.0
C16—C15—H15 119.1 C10—C12—H12 117.0
C14—C15—H15 119.1 C5—C6—C8 109.7 (3)
C15—C16—C17 119.3 (4) C5—C6—C7 108.7 (3)
C15—C16—H16 120.4 C8—C6—C7 108.6 (4)
C17—C16—H16 120.4 C5—C6—C9 108.7 (3)
C20—N5—C21 103.6 (3) C8—C6—C9 111.5 (3)
C20—N5—Hg1 131.0 (3) C7—C6—C9 109.6 (4)
C21—N5—Hg1 125.2 (3) C4—C5—C6 111.9 (3)
C20—N3—N4 109.6 (3) C4—C5—H5A 109.2
C20—N3—C17 129.3 (3) C6—C5—H5A 109.2
N4—N3—C17 121.1 (3) C4—C5—H5B 109.2
C12—C13—C14 127.5 (4) C6—C5—H5B 109.2
C12—C13—H13 116.3 H5A—C5—H5B 107.9
C14—C13—H13 116.3 C2—C4—C11 121.1 (4)
N4—C21—N5 115.0 (4) C2—C4—C5 121.6 (4)
N4—C21—H21 122.5 C11—C4—C5 117.3 (3)
N5—C21—H21 122.5 N1—C1—C2 178.8 (5)
N5—C20—N3 109.7 (4) C4—C2—C3 122.9 (4)
N5—C20—H20 125.1 C4—C2—C1 121.2 (4)
N3—C20—H20 125.1 C3—C2—C1 115.9 (4)
C18—C17—C16 120.7 (3) N2—C3—C2 178.6 (5)
C18—C17—N3 120.3 (3) C6—C8—H8A 109.5
C16—C17—N3 119.0 (3) C6—C8—H8B 109.5
C15—C14—C19 117.5 (3) H8A—C8—H8B 109.5
C15—C14—C13 124.2 (4) C6—C8—H8C 109.5
C19—C14—C13 118.3 (4) H8A—C8—H8C 109.5
C21—N4—N3 102.1 (3) H8B—C8—H8C 109.5
C17—C18—C19 119.2 (4) C6—C7—H7A 109.5
C17—C18—H18 120.4 C6—C7—H7B 109.5
C19—C18—H18 120.4 H7A—C7—H7B 109.5
C11—C10—C12 119.6 (4) C6—C7—H7C 109.5
C11—C10—C9 121.0 (3) H7A—C7—H7C 109.5
C12—C10—C9 119.4 (3) H7B—C7—H7C 109.5
C10—C9—C6 114.9 (3)
C14—C15—C16—C17 −0.6 (7) N3—C17—C18—C19 177.2 (3)
C20—N5—C21—N4 −0.1 (5) C14—C19—C18—C17 0.4 (6)
Hg1—N5—C21—N4 −175.7 (3) C11—C10—C9—C6 16.2 (5)
C21—N5—C20—N3 −0.8 (4) C12—C10—C9—C6 −162.3 (3)
Hg1—N5—C20—N3 174.5 (2) C12—C10—C11—C4 −177.3 (4)
N4—N3—C20—N5 1.4 (5) C9—C10—C11—C4 4.1 (6)
C17—N3—C20—N5 −178.0 (3) C14—C13—C12—C10 176.2 (4)
C15—C16—C17—C18 1.0 (6) C11—C10—C12—C13 −175.1 (4)
C15—C16—C17—N3 −177.2 (4) C9—C10—C12—C13 3.4 (6)
C20—N3—C17—C18 8.1 (6) C10—C9—C6—C5 −45.2 (4)
N4—N3—C17—C18 −171.2 (4) C10—C9—C6—C8 75.8 (4)
C20—N3—C17—C16 −173.8 (4) C10—C9—C6—C7 −163.9 (4)
N4—N3—C17—C16 6.9 (5) C8—C6—C5—C4 −66.4 (4)
C16—C15—C14—C19 0.1 (6) C7—C6—C5—C4 175.1 (4)
C16—C15—C14—C13 −178.7 (4) C9—C6—C5—C4 55.8 (4)
C18—C19—C14—C15 0.0 (6) C10—C11—C4—C2 −174.5 (4)
C18—C19—C14—C13 178.9 (4) C10—C11—C4—C5 7.5 (6)
C12—C13—C14—C15 15.6 (7) C6—C5—C4—C2 143.5 (4)
C12—C13—C14—C19 −163.3 (4) C6—C5—C4—C11 −38.5 (5)
N5—C21—N4—N3 0.9 (5) C11—C4—C2—C3 4.7 (6)
C20—N3—N4—C21 −1.3 (4) C5—C4—C2—C3 −177.4 (4)
C17—N3—N4—C21 178.1 (3) C11—C4—C2—C1 −174.2 (4)
C16—C17—C18—C19 −0.9 (6) C5—C4—C2—C1 3.7 (6)