Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805014339/ci6575sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805014339/ci6575Isup2.hkl |
CCDC reference: 274365
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Ni(C13H15BrNO)2] | F(000) = 2512 |
Mr = 621.05 | Dx = 1.608 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 4960 reflections |
a = 14.979 (3) Å | θ = 2.6–20.6° |
b = 13.609 (3) Å | µ = 3.90 mm−1 |
c = 25.164 (5) Å | T = 298 K |
V = 5129.7 (18) Å3 | Block, green |
Z = 8 | 0.28 × 0.19 × 0.17 mm |
Bruker APEX area-detector diffractometer | 5884 independent reflections |
Radiation source: fine-focus sealed tube | 3526 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.069 |
φ and ω scans | θmax = 27.5°, θmin = 1.6° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −19→19 |
Tmin = 0.378, Tmax = 0.515 | k = −17→17 |
42110 measured reflections | l = −32→32 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.049 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.138 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0595P)2 + 3.6844P] where P = (Fo2 + 2Fc2)/3 |
5884 reflections | (Δ/σ)max = 0.001 |
298 parameters | Δρmax = 0.79 e Å−3 |
0 restraints | Δρmin = −0.48 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.14080 (3) | 0.41984 (4) | 0.30741 (2) | 0.04379 (16) | |
Br1 | 0.32262 (4) | 0.74273 (4) | 0.10120 (2) | 0.0767 (2) | |
Br2 | −0.11596 (5) | 0.10564 (5) | 0.48975 (3) | 0.0944 (3) | |
O1 | 0.2188 (2) | 0.4106 (2) | 0.24726 (13) | 0.0584 (8) | |
O2 | 0.1592 (2) | 0.3339 (2) | 0.36685 (14) | 0.0634 (9) | |
N1 | 0.1721 (2) | 0.5618 (3) | 0.32223 (14) | 0.0501 (9) | |
N2 | 0.0148 (2) | 0.3755 (3) | 0.29242 (14) | 0.0485 (9) | |
C1 | 0.2395 (3) | 0.4866 (3) | 0.21734 (18) | 0.0531 (11) | |
C2 | 0.2363 (3) | 0.5865 (3) | 0.23446 (17) | 0.0472 (10) | |
C3 | 0.2635 (3) | 0.6619 (3) | 0.20042 (18) | 0.0543 (11) | |
H3 | 0.2635 | 0.7266 | 0.2124 | 0.065* | |
C4 | 0.2905 (3) | 0.6410 (3) | 0.14916 (18) | 0.0551 (11) | |
C5 | 0.2944 (3) | 0.5449 (4) | 0.1316 (2) | 0.0632 (13) | |
H5 | 0.3132 | 0.5313 | 0.0972 | 0.076* | |
C6 | 0.2709 (3) | 0.4700 (4) | 0.16479 (19) | 0.0615 (13) | |
H6 | 0.2755 | 0.4057 | 0.1526 | 0.074* | |
C7 | 0.2089 (3) | 0.6163 (3) | 0.28726 (17) | 0.0504 (11) | |
H7 | 0.2190 | 0.6815 | 0.2965 | 0.060* | |
C8 | 0.1536 (3) | 0.6040 (3) | 0.37564 (18) | 0.0547 (12) | |
H8 | 0.1628 | 0.6752 | 0.3741 | 0.066* | |
C9 | 0.2172 (3) | 0.5614 (4) | 0.41603 (18) | 0.0650 (13) | |
H9A | 0.2777 | 0.5809 | 0.4071 | 0.078* | |
H9B | 0.2142 | 0.4902 | 0.4145 | 0.078* | |
C10 | 0.1956 (4) | 0.5954 (4) | 0.4726 (2) | 0.0757 (15) | |
H10A | 0.2348 | 0.5624 | 0.4975 | 0.091* | |
H10B | 0.2060 | 0.6656 | 0.4755 | 0.091* | |
C11 | 0.1003 (4) | 0.5734 (4) | 0.4865 (2) | 0.0717 (14) | |
H11A | 0.0875 | 0.5983 | 0.5218 | 0.086* | |
H11B | 0.0913 | 0.5028 | 0.4868 | 0.086* | |
C12 | 0.0365 (3) | 0.6204 (4) | 0.44653 (19) | 0.0671 (14) | |
H12A | 0.0426 | 0.6913 | 0.4479 | 0.081* | |
H12B | −0.0245 | 0.6039 | 0.4557 | 0.081* | |
C13 | 0.0570 (3) | 0.5841 (4) | 0.39029 (19) | 0.0597 (12) | |
H13A | 0.0454 | 0.5141 | 0.3882 | 0.072* | |
H13B | 0.0181 | 0.6170 | 0.3652 | 0.072* | |
C14 | 0.0945 (3) | 0.2903 (3) | 0.39322 (18) | 0.0524 (11) | |
C15 | 0.0058 (3) | 0.2801 (3) | 0.37469 (17) | 0.0477 (10) | |
C16 | −0.0553 (3) | 0.2246 (3) | 0.40418 (17) | 0.0567 (12) | |
H16 | −0.1132 | 0.2166 | 0.3915 | 0.068* | |
C17 | −0.0313 (4) | 0.1818 (3) | 0.45144 (19) | 0.0635 (13) | |
C18 | 0.0537 (4) | 0.1939 (4) | 0.47074 (19) | 0.0647 (13) | |
H18 | 0.0698 | 0.1654 | 0.5029 | 0.078* | |
C19 | 0.1142 (4) | 0.2473 (3) | 0.4429 (2) | 0.0634 (13) | |
H19 | 0.1710 | 0.2560 | 0.4571 | 0.076* | |
C20 | −0.0268 (3) | 0.3198 (3) | 0.32493 (17) | 0.0515 (11) | |
H20 | −0.0848 | 0.3026 | 0.3155 | 0.062* | |
C21 | −0.0333 (3) | 0.4025 (3) | 0.24301 (17) | 0.0493 (11) | |
H21 | −0.0968 | 0.3880 | 0.2478 | 0.059* | |
C22 | −0.0230 (3) | 0.5108 (3) | 0.23252 (18) | 0.0581 (12) | |
H22A | 0.0400 | 0.5273 | 0.2307 | 0.070* | |
H22B | −0.0494 | 0.5478 | 0.2614 | 0.070* | |
C23 | −0.0685 (4) | 0.5387 (4) | 0.18010 (19) | 0.0701 (14) | |
H23A | −0.1322 | 0.5272 | 0.1829 | 0.084* | |
H23B | −0.0594 | 0.6081 | 0.1731 | 0.084* | |
C24 | −0.0309 (4) | 0.4789 (4) | 0.1348 (2) | 0.0795 (16) | |
H24A | −0.0609 | 0.4966 | 0.1020 | 0.095* | |
H24B | 0.0322 | 0.4930 | 0.1308 | 0.095* | |
C25 | −0.0438 (4) | 0.3717 (4) | 0.14560 (19) | 0.0797 (16) | |
H25A | −0.0188 | 0.3337 | 0.1166 | 0.096* | |
H25B | −0.1071 | 0.3572 | 0.1476 | 0.096* | |
C26 | 0.0015 (4) | 0.3419 (4) | 0.19785 (18) | 0.0688 (14) | |
H26A | −0.0098 | 0.2729 | 0.2049 | 0.083* | |
H26B | 0.0655 | 0.3510 | 0.1947 | 0.083* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.0410 (3) | 0.0384 (3) | 0.0520 (3) | −0.0025 (2) | −0.0010 (2) | −0.0032 (2) |
Br1 | 0.0886 (4) | 0.0794 (4) | 0.0620 (3) | −0.0030 (3) | 0.0206 (3) | 0.0051 (3) |
Br2 | 0.1130 (5) | 0.1028 (5) | 0.0673 (4) | −0.0188 (4) | 0.0054 (3) | 0.0278 (3) |
O1 | 0.059 (2) | 0.0434 (17) | 0.073 (2) | −0.0014 (15) | 0.0155 (16) | −0.0070 (16) |
O2 | 0.0515 (19) | 0.063 (2) | 0.076 (2) | −0.0038 (16) | −0.0122 (17) | 0.0100 (18) |
N1 | 0.051 (2) | 0.047 (2) | 0.053 (2) | −0.0033 (17) | 0.0080 (17) | −0.0084 (17) |
N2 | 0.051 (2) | 0.0444 (19) | 0.050 (2) | −0.0010 (17) | −0.0055 (17) | 0.0023 (17) |
C1 | 0.042 (2) | 0.056 (3) | 0.062 (3) | −0.001 (2) | 0.002 (2) | −0.011 (2) |
C2 | 0.046 (2) | 0.047 (2) | 0.049 (3) | −0.001 (2) | 0.0036 (19) | −0.005 (2) |
C3 | 0.045 (3) | 0.058 (3) | 0.060 (3) | 0.001 (2) | 0.003 (2) | −0.008 (2) |
C4 | 0.051 (3) | 0.065 (3) | 0.049 (3) | 0.001 (2) | 0.002 (2) | −0.004 (2) |
C5 | 0.061 (3) | 0.079 (4) | 0.049 (3) | 0.003 (3) | 0.010 (2) | −0.012 (3) |
C6 | 0.064 (3) | 0.059 (3) | 0.062 (3) | 0.003 (2) | 0.006 (2) | −0.017 (3) |
C7 | 0.049 (2) | 0.049 (2) | 0.053 (3) | −0.004 (2) | 0.005 (2) | −0.005 (2) |
C8 | 0.062 (3) | 0.051 (3) | 0.051 (3) | −0.004 (2) | 0.011 (2) | −0.011 (2) |
C9 | 0.053 (3) | 0.083 (4) | 0.059 (3) | −0.006 (3) | 0.002 (2) | −0.017 (3) |
C10 | 0.075 (4) | 0.093 (4) | 0.059 (3) | −0.004 (3) | 0.002 (3) | −0.011 (3) |
C11 | 0.086 (4) | 0.075 (4) | 0.054 (3) | −0.004 (3) | 0.014 (3) | 0.007 (3) |
C12 | 0.064 (3) | 0.071 (3) | 0.066 (3) | −0.002 (3) | 0.019 (3) | −0.003 (3) |
C13 | 0.052 (3) | 0.067 (3) | 0.060 (3) | 0.005 (2) | 0.009 (2) | 0.001 (2) |
C14 | 0.061 (3) | 0.038 (2) | 0.058 (3) | 0.004 (2) | −0.007 (2) | −0.006 (2) |
C15 | 0.055 (3) | 0.043 (2) | 0.045 (2) | 0.001 (2) | −0.006 (2) | 0.0004 (19) |
C16 | 0.061 (3) | 0.058 (3) | 0.051 (3) | 0.000 (2) | −0.008 (2) | −0.002 (2) |
C17 | 0.083 (4) | 0.055 (3) | 0.052 (3) | 0.001 (3) | 0.003 (3) | 0.004 (2) |
C18 | 0.085 (4) | 0.060 (3) | 0.049 (3) | 0.012 (3) | −0.015 (3) | 0.002 (2) |
C19 | 0.065 (3) | 0.062 (3) | 0.063 (3) | 0.004 (3) | −0.023 (3) | 0.000 (2) |
C20 | 0.053 (3) | 0.049 (3) | 0.053 (3) | −0.004 (2) | −0.006 (2) | 0.000 (2) |
C21 | 0.046 (2) | 0.051 (3) | 0.051 (3) | −0.004 (2) | −0.005 (2) | 0.004 (2) |
C22 | 0.062 (3) | 0.056 (3) | 0.057 (3) | 0.005 (2) | −0.003 (2) | 0.004 (2) |
C23 | 0.079 (4) | 0.065 (3) | 0.067 (3) | 0.004 (3) | −0.005 (3) | 0.019 (3) |
C24 | 0.086 (4) | 0.094 (4) | 0.058 (3) | 0.003 (3) | −0.001 (3) | 0.019 (3) |
C25 | 0.103 (4) | 0.086 (4) | 0.050 (3) | 0.017 (3) | −0.012 (3) | −0.004 (3) |
C26 | 0.089 (4) | 0.058 (3) | 0.059 (3) | 0.005 (3) | −0.012 (3) | −0.008 (2) |
Ni1—O1 | 1.916 (3) | C11—H11B | 0.97 |
Ni1—O2 | 1.919 (3) | C12—C13 | 1.530 (6) |
Ni1—N2 | 2.017 (4) | C12—H12A | 0.97 |
Ni1—N1 | 2.023 (3) | C12—H12B | 0.97 |
Br1—C4 | 1.899 (5) | C13—H13A | 0.97 |
Br2—C17 | 1.901 (5) | C13—H13B | 0.97 |
O1—C1 | 1.317 (5) | C14—C19 | 1.411 (6) |
O2—C14 | 1.316 (5) | C14—C15 | 1.415 (6) |
N1—C7 | 1.275 (5) | C15—C16 | 1.399 (6) |
N1—C8 | 1.487 (5) | C15—C20 | 1.448 (6) |
N2—C20 | 1.278 (5) | C16—C17 | 1.372 (6) |
N2—C21 | 1.483 (5) | C16—H16 | 0.93 |
C1—C6 | 1.422 (6) | C17—C18 | 1.372 (7) |
C1—C2 | 1.427 (6) | C18—C19 | 1.358 (7) |
C2—C3 | 1.397 (6) | C18—H18 | 0.93 |
C2—C7 | 1.449 (6) | C19—H19 | 0.93 |
C3—C4 | 1.381 (6) | C20—H20 | 0.93 |
C3—H3 | 0.93 | C21—C26 | 1.498 (6) |
C4—C5 | 1.382 (7) | C21—C22 | 1.504 (6) |
C5—C6 | 1.364 (7) | C21—H21 | 0.98 |
C5—H5 | 0.93 | C22—C23 | 1.533 (6) |
C6—H6 | 0.93 | C22—H22A | 0.97 |
C7—H7 | 0.93 | C22—H22B | 0.97 |
C8—C9 | 1.509 (7) | C23—C24 | 1.509 (7) |
C8—C13 | 1.518 (6) | C23—H23A | 0.97 |
C8—H8 | 0.98 | C23—H23B | 0.97 |
C9—C10 | 1.531 (7) | C24—C25 | 1.497 (8) |
C9—H9A | 0.97 | C24—H24A | 0.97 |
C9—H9B | 0.97 | C24—H24B | 0.97 |
C10—C11 | 1.499 (7) | C25—C26 | 1.534 (7) |
C10—H10A | 0.97 | C25—H25A | 0.97 |
C10—H10B | 0.97 | C25—H25B | 0.97 |
C11—C12 | 1.528 (7) | C26—H26A | 0.97 |
C11—H11A | 0.97 | C26—H26B | 0.97 |
O1—Ni1—O2 | 119.23 (14) | H12A—C12—H12B | 108.1 |
O1—Ni1—N2 | 113.75 (14) | C8—C13—C12 | 111.0 (4) |
O2—Ni1—N2 | 95.61 (14) | C8—C13—H13A | 109.4 |
O1—Ni1—N1 | 93.83 (13) | C12—C13—H13A | 109.4 |
O2—Ni1—N1 | 113.91 (15) | C8—C13—H13B | 109.4 |
N2—Ni1—N1 | 122.50 (14) | C12—C13—H13B | 109.4 |
C1—O1—Ni1 | 123.0 (3) | H13A—C13—H13B | 108.0 |
C14—O2—Ni1 | 124.2 (3) | O2—C14—C19 | 118.6 (4) |
C7—N1—C8 | 118.7 (4) | O2—C14—C15 | 124.7 (4) |
C7—N1—Ni1 | 121.8 (3) | C19—C14—C15 | 116.7 (4) |
C8—N1—Ni1 | 119.4 (3) | C16—C15—C14 | 119.4 (4) |
C20—N2—C21 | 116.6 (4) | C16—C15—C20 | 116.1 (4) |
C20—N2—Ni1 | 120.9 (3) | C14—C15—C20 | 124.4 (4) |
C21—N2—Ni1 | 122.5 (3) | C17—C16—C15 | 121.2 (5) |
O1—C1—C6 | 119.0 (4) | C17—C16—H16 | 119.4 |
O1—C1—C2 | 124.6 (4) | C15—C16—H16 | 119.4 |
C6—C1—C2 | 116.3 (4) | C18—C17—C16 | 119.9 (5) |
C3—C2—C1 | 120.3 (4) | C18—C17—Br2 | 120.3 (4) |
C3—C2—C7 | 116.1 (4) | C16—C17—Br2 | 119.7 (4) |
C1—C2—C7 | 123.6 (4) | C19—C18—C17 | 120.1 (5) |
C4—C3—C2 | 120.4 (4) | C19—C18—H18 | 120.0 |
C4—C3—H3 | 119.8 | C17—C18—H18 | 120.0 |
C2—C3—H3 | 119.8 | C18—C19—C14 | 122.6 (5) |
C3—C4—C5 | 120.4 (4) | C18—C19—H19 | 118.7 |
C3—C4—Br1 | 121.2 (4) | C14—C19—H19 | 118.7 |
C5—C4—Br1 | 118.4 (3) | N2—C20—C15 | 127.7 (4) |
C6—C5—C4 | 120.0 (4) | N2—C20—H20 | 116.2 |
C6—C5—H5 | 120.0 | C15—C20—H20 | 116.2 |
C4—C5—H5 | 120.0 | N2—C21—C26 | 109.3 (4) |
C5—C6—C1 | 122.4 (4) | N2—C21—C22 | 109.9 (3) |
C5—C6—H6 | 118.8 | C26—C21—C22 | 111.7 (4) |
C1—C6—H6 | 118.8 | N2—C21—H21 | 108.6 |
N1—C7—C2 | 126.4 (4) | C26—C21—H21 | 108.6 |
N1—C7—H7 | 116.8 | C22—C21—H21 | 108.6 |
C2—C7—H7 | 116.8 | C21—C22—C23 | 110.4 (4) |
N1—C8—C9 | 110.0 (4) | C21—C22—H22A | 109.6 |
N1—C8—C13 | 109.2 (4) | C23—C22—H22A | 109.6 |
C9—C8—C13 | 111.7 (4) | C21—C22—H22B | 109.6 |
N1—C8—H8 | 108.6 | C23—C22—H22B | 109.6 |
C9—C8—H8 | 108.6 | H22A—C22—H22B | 108.1 |
C13—C8—H8 | 108.6 | C24—C23—C22 | 110.5 (4) |
C8—C9—C10 | 112.1 (4) | C24—C23—H23A | 109.6 |
C8—C9—H9A | 109.2 | C22—C23—H23A | 109.6 |
C10—C9—H9A | 109.2 | C24—C23—H23B | 109.6 |
C8—C9—H9B | 109.2 | C22—C23—H23B | 109.6 |
C10—C9—H9B | 109.2 | H23A—C23—H23B | 108.1 |
H9A—C9—H9B | 107.9 | C25—C24—C23 | 109.9 (4) |
C11—C10—C9 | 111.0 (4) | C25—C24—H24A | 109.7 |
C11—C10—H10A | 109.4 | C23—C24—H24A | 109.7 |
C9—C10—H10A | 109.4 | C25—C24—H24B | 109.7 |
C11—C10—H10B | 109.4 | C23—C24—H24B | 109.7 |
C9—C10—H10B | 109.4 | H24A—C24—H24B | 108.2 |
H10A—C10—H10B | 108.0 | C24—C25—C26 | 110.8 (5) |
C10—C11—C12 | 111.0 (4) | C24—C25—H25A | 109.5 |
C10—C11—H11A | 109.4 | C26—C25—H25A | 109.5 |
C12—C11—H11A | 109.4 | C24—C25—H25B | 109.5 |
C10—C11—H11B | 109.4 | C26—C25—H25B | 109.5 |
C12—C11—H11B | 109.4 | H25A—C25—H25B | 108.1 |
H11A—C11—H11B | 108.0 | C21—C26—C25 | 110.5 (4) |
C11—C12—C13 | 110.4 (4) | C21—C26—H26A | 109.5 |
C11—C12—H12A | 109.6 | C25—C26—H26A | 109.5 |
C13—C12—H12A | 109.6 | C21—C26—H26B | 109.5 |
C11—C12—H12B | 109.6 | C25—C26—H26B | 109.5 |
C13—C12—H12B | 109.6 | H26A—C26—H26B | 108.1 |
O2—Ni1—O1—C1 | −148.6 (3) | Ni1—N1—C8—C13 | −51.8 (5) |
N2—Ni1—O1—C1 | 99.7 (3) | N1—C8—C9—C10 | −174.9 (4) |
N1—Ni1—O1—C1 | −28.4 (4) | C13—C8—C9—C10 | −53.5 (6) |
O1—Ni1—O2—C14 | −138.8 (3) | C8—C9—C10—C11 | 54.6 (6) |
N2—Ni1—O2—C14 | −17.5 (4) | C9—C10—C11—C12 | −56.5 (6) |
N1—Ni1—O2—C14 | 111.8 (3) | C10—C11—C12—C13 | 57.8 (6) |
O1—Ni1—N1—C7 | 18.1 (4) | N1—C8—C13—C12 | 176.4 (4) |
O2—Ni1—N1—C7 | 142.5 (3) | C9—C8—C13—C12 | 54.4 (5) |
N2—Ni1—N1—C7 | −103.3 (4) | C11—C12—C13—C8 | −56.2 (5) |
O1—Ni1—N1—C8 | −160.7 (3) | Ni1—O2—C14—C19 | −165.8 (3) |
O2—Ni1—N1—C8 | −36.3 (4) | Ni1—O2—C14—C15 | 16.3 (6) |
N2—Ni1—N1—C8 | 77.9 (3) | O2—C14—C15—C16 | 174.3 (4) |
O1—Ni1—N2—C20 | 135.2 (3) | C19—C14—C15—C16 | −3.6 (6) |
O2—Ni1—N2—C20 | 9.8 (4) | O2—C14—C15—C20 | −2.5 (7) |
N1—Ni1—N2—C20 | −113.3 (3) | C19—C14—C15—C20 | 179.6 (4) |
O1—Ni1—N2—C21 | −42.8 (3) | C14—C15—C16—C17 | 1.6 (7) |
O2—Ni1—N2—C21 | −168.2 (3) | C20—C15—C16—C17 | 178.7 (4) |
N1—Ni1—N2—C21 | 68.7 (3) | C15—C16—C17—C18 | 0.6 (7) |
Ni1—O1—C1—C6 | −158.6 (3) | C15—C16—C17—Br2 | −179.2 (3) |
Ni1—O1—C1—C2 | 24.1 (6) | C16—C17—C18—C19 | −0.6 (7) |
O1—C1—C2—C3 | 177.1 (4) | Br2—C17—C18—C19 | 179.2 (4) |
C6—C1—C2—C3 | −0.3 (6) | C17—C18—C19—C14 | −1.6 (8) |
O1—C1—C2—C7 | −0.6 (7) | O2—C14—C19—C18 | −174.4 (4) |
C6—C1—C2—C7 | −178.0 (4) | C15—C14—C19—C18 | 3.7 (7) |
C1—C2—C3—C4 | 2.5 (7) | C21—N2—C20—C15 | 177.7 (4) |
C7—C2—C3—C4 | −179.6 (4) | Ni1—N2—C20—C15 | −0.4 (6) |
C2—C3—C4—C5 | −2.7 (7) | C16—C15—C20—N2 | 176.9 (4) |
C2—C3—C4—Br1 | 177.2 (3) | C14—C15—C20—N2 | −6.1 (7) |
C3—C4—C5—C6 | 0.6 (7) | C20—N2—C21—C26 | −102.3 (5) |
Br1—C4—C5—C6 | −179.3 (4) | Ni1—N2—C21—C26 | 75.8 (4) |
C4—C5—C6—C1 | 1.7 (8) | C20—N2—C21—C22 | 134.7 (4) |
O1—C1—C6—C5 | −179.4 (4) | Ni1—N2—C21—C22 | −47.2 (5) |
C2—C1—C6—C5 | −1.9 (7) | N2—C21—C22—C23 | 177.2 (4) |
C8—N1—C7—C2 | 176.3 (4) | C26—C21—C22—C23 | 55.7 (5) |
Ni1—N1—C7—C2 | −2.6 (6) | C21—C22—C23—C24 | −57.0 (6) |
C3—C2—C7—N1 | 171.2 (4) | C22—C23—C24—C25 | 58.5 (6) |
C1—C2—C7—N1 | −11.0 (7) | C23—C24—C25—C26 | −58.4 (6) |
C7—N1—C8—C9 | −107.8 (5) | N2—C21—C26—C25 | −177.3 (4) |
Ni1—N1—C8—C9 | 71.1 (4) | C22—C21—C26—C25 | −55.4 (6) |
C7—N1—C8—C13 | 129.3 (4) | C24—C25—C26—C21 | 56.8 (6) |