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. 2020 Oct 9;76(Pt 11):1741–1747. doi: 10.1107/S2056989020013341
Ni—N1 1.8858 (10) C20—H20A 0.9800
Ni—N2 1.8490 (10) C20—H20B 0.9800
Ni—N3 1.8876 (10) C20—H20C 0.9800
Ni—N4 1.9291 (11) C21—C22 1.3917 (19)
N1—C1 1.3679 (16) C21—C26 1.3932 (19)
N1—C4 1.3871 (15) C22—H22 0.9500
N2—C5 1.3554 (15) C22—C23 1.394 (2)
N2—C9 1.3558 (16) C23—H23 0.9500
N3—C10 1.3920 (15) C23—C24 1.391 (2)
N3—C13 1.3655 (15) C24—C25 1.3871 (19)
N4—H4A 0.89 (3) C24—C27 1.5033 (19)
N4—H4B 0.84 (3) C25—H25 0.9500
N4—H4C 0.86 (3) C25—C26 1.3925 (18)
C1—C2 1.3996 (17) C26—H26 0.9500
C1—C14 1.4699 (17) C27—H27A 0.9800
C2—H2 0.9500 C27—H27B 0.9800
C2—C3 1.4080 (18) C27—H27C 0.9800
C3—C4 1.3968 (17) C28—C29 1.3981 (17)
C3—C21 1.4818 (17) C28—C33 1.3986 (19)
C4—C5 1.4400 (17) C29—H29 0.9500
C5—C6 1.3986 (17) C29—C30 1.3894 (19)
C6—H6 0.9500 C30—H30 0.9500
C6—C7 1.3891 (18) C30—C31 1.389 (2)
C7—H7 0.9500 C31—C32 1.396 (2)
C7—C8 1.3930 (18) C31—C34 1.5036 (19)
C8—H8 0.9500 C32—H32 0.9500
C8—C9 1.3957 (17) C32—C33 1.3915 (18)
C9—C10 1.4511 (16) C33—H33 0.9500
C10—C11 1.4040 (16) C34—H34A 0.9800
C11—C12 1.4151 (17) C34—H34B 0.9800
C11—C35 1.4733 (17) C34—H34C 0.9800
C12—H12 0.9500 C35—C36 1.3976 (18)
C12—C13 1.3992 (17) C35—C40 1.3993 (17)
C13—C28 1.4702 (17) C36—H36 0.9500
C14—C15 1.4020 (19) C36—C37 1.3912 (18)
C14—C19 1.3976 (19) C37—H37 0.9500
C15—H15 0.9500 C37—C38 1.396 (2)
C15—C16 1.3907 (19) C38—C39 1.388 (2)
C16—H16 0.9500 C38—C41 1.509 (2)
C16—C17 1.393 (2) C39—H39 0.9500
C17—C18 1.390 (2) C39—C40 1.3945 (19)
C17—C20 1.509 (2) C40—H40 0.9500
C18—H18 0.9500 C41—H41A 0.9800
C18—C19 1.3929 (19) C41—H41B 0.9800
C19—H19 0.9500 C41—H41C 0.9800
N1—Ni—N3 163.95 (5) C17—C20—H20A 109.5
N1—Ni—N4 96.98 (5) C17—C20—H20B 109.5
N2—Ni—N1 83.41 (4) C17—C20—H20C 109.5
N2—Ni—N3 82.95 (4) H20A—C20—H20B 109.5
N2—Ni—N4 162.16 (5) H20A—C20—H20C 109.5
N3—Ni—N4 98.59 (5) H20B—C20—H20C 109.5
C1—N1—Ni 140.10 (9) C22—C21—C3 120.99 (12)
C1—N1—C4 106.75 (10) C22—C21—C26 117.86 (12)
C4—N1—Ni 113.07 (8) C26—C21—C3 121.15 (12)
C5—N2—Ni 117.40 (8) C21—C22—H22 119.6
C5—N2—C9 123.28 (11) C21—C22—C23 120.86 (13)
C9—N2—Ni 118.43 (8) C23—C22—H22 119.6
C10—N3—Ni 114.29 (8) C22—C23—H23 119.4
C13—N3—Ni 138.51 (9) C24—C23—C22 121.30 (13)
C13—N3—C10 107.19 (10) C24—C23—H23 119.4
Ni—N4—H4A 113.0 (16) C23—C24—C27 121.29 (13)
Ni—N4—H4B 120.3 (18) C25—C24—C23 117.64 (12)
Ni—N4—H4C 106.2 (16) C25—C24—C27 121.07 (13)
H4A—N4—H4B 103 (2) C24—C25—H25 119.3
H4A—N4—H4C 111 (2) C24—C25—C26 121.37 (13)
H4B—N4—H4C 103 (2) C26—C25—H25 119.3
N1—C1—C2 109.43 (11) C21—C26—H26 119.5
N1—C1—C14 123.64 (11) C25—C26—C21 120.91 (13)
C2—C1—C14 126.55 (11) C25—C26—H26 119.5
C1—C2—H2 126.1 C24—C27—H27A 109.5
C1—C2—C3 107.83 (11) C24—C27—H27B 109.5
C3—C2—H2 126.1 C24—C27—H27C 109.5
C2—C3—C21 127.47 (11) H27A—C27—H27B 109.5
C4—C3—C2 105.55 (11) H27A—C27—H27C 109.5
C4—C3—C21 126.95 (11) H27B—C27—H27C 109.5
N1—C4—C3 110.43 (11) C29—C28—C13 119.81 (12)
N1—C4—C5 113.98 (10) C29—C28—C33 118.31 (12)
C3—C4—C5 135.45 (11) C33—C28—C13 121.79 (11)
N2—C5—C4 110.79 (11) C28—C29—H29 119.7
N2—C5—C6 119.41 (11) C30—C29—C28 120.60 (13)
C6—C5—C4 129.80 (11) C30—C29—H29 119.7
C5—C6—H6 120.9 C29—C30—H30 119.4
C7—C6—C5 118.23 (11) C31—C30—C29 121.17 (13)
C7—C6—H6 120.9 C31—C30—H30 119.4
C6—C7—H7 119.3 C30—C31—C32 118.41 (12)
C6—C7—C8 121.36 (12) C30—C31—C34 120.24 (14)
C8—C7—H7 119.3 C32—C31—C34 121.35 (15)
C7—C8—H8 120.6 C31—C32—H32 119.6
C7—C8—C9 118.76 (12) C33—C32—C31 120.78 (13)
C9—C8—H8 120.6 C33—C32—H32 119.6
N2—C9—C8 118.92 (11) C28—C33—H33 119.7
N2—C9—C10 110.48 (10) C32—C33—C28 120.69 (12)
C8—C9—C10 130.58 (11) C32—C33—H33 119.7
N3—C10—C9 113.09 (10) C31—C34—H34A 109.5
N3—C10—C11 109.98 (10) C31—C34—H34B 109.5
C11—C10—C9 136.93 (11) C31—C34—H34C 109.5
C10—C11—C12 105.46 (11) H34A—C34—H34B 109.5
C10—C11—C35 130.14 (11) H34A—C34—H34C 109.5
C12—C11—C35 124.37 (11) H34B—C34—H34C 109.5
C11—C12—H12 126.1 C36—C35—C11 121.84 (11)
C13—C12—C11 107.90 (11) C36—C35—C40 117.73 (12)
C13—C12—H12 126.1 C40—C35—C11 120.38 (12)
N3—C13—C12 109.47 (11) C35—C36—H36 119.4
N3—C13—C28 123.82 (11) C37—C36—C35 121.14 (12)
C12—C13—C28 126.61 (11) C37—C36—H36 119.4
C15—C14—C1 121.12 (12) C36—C37—H37 119.5
C19—C14—C1 120.80 (12) C36—C37—C38 121.07 (13)
C19—C14—C15 117.94 (12) C38—C37—H37 119.5
C14—C15—H15 119.6 C37—C38—C41 120.51 (14)
C16—C15—C14 120.76 (13) C39—C38—C37 117.85 (13)
C16—C15—H15 119.6 C39—C38—C41 121.63 (14)
C15—C16—H16 119.4 C38—C39—H39 119.3
C15—C16—C17 121.11 (14) C38—C39—C40 121.48 (13)
C17—C16—H16 119.4 C40—C39—H39 119.3
C16—C17—C20 120.48 (15) C35—C40—H40 119.6
C18—C17—C16 118.22 (13) C39—C40—C35 120.72 (13)
C18—C17—C20 121.26 (15) C39—C40—H40 119.6
C17—C18—H18 119.5 C38—C41—H41A 109.5
C17—C18—C19 121.09 (14) C38—C41—H41B 109.5
C19—C18—H18 119.5 C38—C41—H41C 109.5
C14—C19—H19 119.6 H41A—C41—H41B 109.5
C18—C19—C14 120.85 (14) H41A—C41—H41C 109.5
C18—C19—H19 119.6 H41B—C41—H41C 109.5
Ni—N1—C1—C2 −175.37 (11) C5—N2—C9—C10 −178.59 (11)
Ni—N1—C1—C14 11.3 (2) C5—C6—C7—C8 −0.50 (19)
Ni—N1—C4—C3 176.50 (9) C6—C7—C8—C9 −1.2 (2)
Ni—N1—C4—C5 −7.17 (14) C7—C8—C9—N2 1.34 (18)
Ni—N2—C5—C4 9.41 (13) C7—C8—C9—C10 179.84 (13)
Ni—N2—C5—C6 −170.85 (9) C8—C9—C10—N3 −172.66 (13)
Ni—N2—C9—C8 169.03 (9) C8—C9—C10—C11 7.1 (3)
Ni—N2—C9—C10 −9.75 (14) C9—N2—C5—C4 178.36 (11)
Ni—N3—C10—C9 −0.02 (13) C9—N2—C5—C6 −1.90 (18)
Ni—N3—C10—C11 −179.83 (8) C9—C10—C11—C12 −179.68 (14)
Ni—N3—C13—C12 179.52 (10) C9—C10—C11—C35 2.3 (2)
Ni—N3—C13—C28 −4.1 (2) C10—N3—C13—C12 −1.25 (14)
N1—Ni—N2—C5 −10.93 (9) C10—N3—C13—C28 175.14 (11)
N1—Ni—N2—C9 179.57 (10) C10—C11—C12—C13 −0.82 (14)
N1—Ni—N3—C10 −36.0 (2) C10—C11—C35—C36 41.5 (2)
N1—Ni—N3—C13 143.17 (16) C10—C11—C35—C40 −141.21 (14)
N1—C1—C2—C3 −0.70 (16) C11—C12—C13—N3 1.30 (15)
N1—C1—C14—C15 40.6 (2) C11—C12—C13—C28 −174.95 (12)
N1—C1—C14—C19 −143.73 (13) C11—C35—C36—C37 177.93 (12)
N1—C4—C5—N2 −1.13 (15) C11—C35—C40—C39 −178.08 (13)
N1—C4—C5—C6 179.17 (12) C12—C11—C35—C36 −136.15 (14)
N2—Ni—N1—C1 −174.10 (15) C12—C11—C35—C40 41.12 (19)
N2—Ni—N1—C4 9.65 (9) C12—C13—C28—C29 −47.47 (19)
N2—Ni—N3—C10 −4.08 (9) C12—C13—C28—C33 129.04 (14)
N2—Ni—N3—C13 175.12 (14) C13—N3—C10—C9 −179.46 (10)
N2—C5—C6—C7 2.00 (18) C13—N3—C10—C11 0.73 (14)
N2—C9—C10—N3 5.93 (15) C13—C28—C29—C30 176.54 (12)
N2—C9—C10—C11 −174.33 (14) C13—C28—C33—C32 −177.98 (12)
N3—Ni—N1—C1 −142.19 (16) C14—C1—C2—C3 172.34 (13)
N3—Ni—N1—C4 41.6 (2) C14—C15—C16—C17 −1.9 (2)
N3—Ni—N2—C5 177.54 (10) C15—C14—C19—C18 0.7 (2)
N3—Ni—N2—C9 8.03 (9) C15—C16—C17—C18 2.0 (2)
N3—C10—C11—C12 0.07 (14) C15—C16—C17—C20 −175.81 (14)
N3—C10—C11—C35 −177.94 (12) C16—C17—C18—C19 −0.8 (2)
N3—C13—C28—C29 136.78 (13) C17—C18—C19—C14 −0.5 (2)
N3—C13—C28—C33 −46.72 (18) C19—C14—C15—C16 0.5 (2)
N4—Ni—N1—C1 23.86 (15) C20—C17—C18—C19 176.98 (14)
N4—Ni—N1—C4 −152.39 (9) C21—C3—C4—N1 178.67 (12)
N4—Ni—N2—C5 81.38 (18) C21—C3—C4—C5 3.5 (3)
N4—Ni—N2—C9 −88.12 (18) C21—C22—C23—C24 0.0 (3)
N4—Ni—N3—C10 157.98 (9) C22—C21—C26—C25 1.7 (2)
N4—Ni—N3—C13 −22.82 (14) C22—C23—C24—C25 2.0 (2)
C1—N1—C4—C3 −0.98 (15) C22—C23—C24—C27 −178.30 (17)
C1—N1—C4—C5 175.35 (11) C23—C24—C25—C26 −2.2 (2)
C1—C2—C3—C4 0.08 (16) C24—C25—C26—C21 0.4 (2)
C1—C2—C3—C21 −178.02 (13) C26—C21—C22—C23 −1.9 (2)
C1—C14—C15—C16 176.31 (13) C27—C24—C25—C26 178.10 (16)
C1—C14—C19—C18 −175.15 (13) C28—C29—C30—C31 1.4 (2)
C2—C1—C14—C15 −131.52 (15) C29—C28—C33—C32 −1.42 (19)
C2—C1—C14—C19 44.2 (2) C29—C30—C31—C32 −1.3 (2)
C2—C3—C4—N1 0.55 (15) C29—C30—C31—C34 179.26 (13)
C2—C3—C4—C5 −174.66 (15) C30—C31—C32—C33 −0.3 (2)
C2—C3—C21—C22 73.9 (2) C31—C32—C33—C28 1.6 (2)
C2—C3—C21—C26 −105.63 (17) C33—C28—C29—C30 −0.08 (19)
C3—C4—C5—N2 173.97 (14) C34—C31—C32—C33 179.22 (13)
C3—C4—C5—C6 −5.7 (3) C35—C11—C12—C13 177.34 (12)
C3—C21—C22—C23 178.53 (14) C35—C36—C37—C38 0.2 (2)
C3—C21—C26—C25 −178.73 (13) C36—C35—C40—C39 −0.7 (2)
C4—N1—C1—C2 1.02 (15) C36—C37—C38—C39 −0.8 (2)
C4—N1—C1—C14 −172.26 (12) C36—C37—C38—C41 179.97 (14)
C4—C3—C21—C22 −103.77 (17) C37—C38—C39—C40 0.7 (2)
C4—C3—C21—C26 76.66 (19) C38—C39—C40—C35 0.1 (2)
C4—C5—C6—C7 −178.31 (13) C40—C35—C36—C37 0.6 (2)
C5—N2—C9—C8 0.19 (18) C41—C38—C39—C40 179.91 (14)