Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805013875/cv6487sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805013875/cv6487Isup2.hkl |
CCDC reference: 274374
Data collection: TEXSAN (Molecular Structure Corporation, 1999); cell refinement: RAPID-AUTO; data reduction: CrystalStucture (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick, 1998); software used to prepare material for publication: SHELXTL/PC.
[Ni3(C30H20N4O6)2(C5H5N)2(C2H6NO)2]·2C3H7NO·0.5H2O | F(000) = 2380 |
Mr = 1142.19 | Dx = 1.419 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 5983 reflections |
a = 29.4926 (15) Å | θ = 1.5–27.5° |
b = 10.1678 (3) Å | µ = 1.11 mm−1 |
c = 19.7293 (3) Å | T = 293 K |
β = 115.389 (2)° | Block, red |
V = 5344.9 (3) Å3 | 0.56 × 0.46 × 0.38 mm |
Z = 4 |
Rigaku 18KW Weissenberg IP diffractometer | 5983 independent reflections |
Radiation source: fine-focus sealed tube | 4085 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.000 |
ω scans | θmax = 27.5°, θmin = 2.1° |
Absorption correction: ψ scan (North et al., 1968) | h = 0→38 |
Tmin = 0.517, Tmax = 0.66 | k = 0→13 |
5983 measured reflections | l = −25→22 |
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)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.137 | H-atom parameters constrained |
S = 0.98 | w = 1/[σ2(Fo2) + (0.08P)2] where P = (Fo2 + 2Fc2)/3 |
5983 reflections | (Δ/σ)max < 0.001 |
334 parameters | Δρmax = 0.57 e Å−3 |
0 restraints | Δρmin = −0.37 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 | Occ. (<1) | |
Ni1 | 0.184347 (14) | 0.45860 (4) | 0.14812 (2) | 0.04812 (14) | |
Ni2 | 0.2500 | 0.2500 | 0.0000 | 0.04125 (15) | |
O1 | 0.23490 (8) | 0.5400 (2) | 0.22655 (12) | 0.0630 (6) | |
O2 | 0.29690 (7) | 0.3229 (2) | 0.10137 (10) | 0.0486 (5) | |
O3 | 0.13322 (7) | 0.3793 (2) | 0.06545 (11) | 0.0520 (5) | |
O4 | 0.25179 (8) | 0.0593 (2) | 0.04667 (12) | 0.0582 (5) | |
N1 | 0.22496 (9) | 0.3890 (2) | 0.10772 (12) | 0.0439 (5) | |
N2 | 0.19907 (9) | 0.3104 (2) | 0.04246 (11) | 0.0441 (5) | |
N3 | 0.13785 (10) | 0.5107 (3) | 0.18978 (15) | 0.0586 (7) | |
N4 | 0.28364 (12) | −0.1367 (3) | 0.09696 (17) | 0.0701 (8) | |
C1 | 0.28326 (12) | 0.5341 (3) | 0.24377 (17) | 0.0517 (7) | |
C2 | 0.30473 (11) | 0.4643 (3) | 0.20247 (15) | 0.0453 (6) | |
C3 | 0.35732 (12) | 0.4685 (3) | 0.22726 (17) | 0.0532 (7) | |
H3A | 0.3716 | 0.4214 | 0.2009 | 0.064* | |
C4 | 0.38792 (13) | 0.5393 (3) | 0.28875 (19) | 0.0629 (8) | |
H4A | 0.4224 | 0.5420 | 0.3032 | 0.076* | |
C5 | 0.36686 (14) | 0.6076 (4) | 0.32950 (18) | 0.0679 (9) | |
H5A | 0.3875 | 0.6550 | 0.3718 | 0.081* | |
C6 | 0.31588 (13) | 0.6054 (3) | 0.30768 (18) | 0.0640 (9) | |
H6A | 0.3026 | 0.6518 | 0.3356 | 0.077* | |
C7 | 0.27450 (10) | 0.3875 (3) | 0.13377 (14) | 0.0429 (6) | |
C8 | 0.15126 (10) | 0.3097 (3) | 0.02634 (14) | 0.0439 (6) | |
C9 | 0.11458 (11) | 0.2254 (3) | −0.03405 (15) | 0.0462 (6) | |
C10 | 0.12635 (12) | 0.0973 (3) | −0.04407 (18) | 0.0562 (7) | |
H10A | 0.1584 | 0.0646 | −0.0154 | 0.067* | |
C11 | 0.09005 (15) | 0.0171 (4) | −0.0974 (2) | 0.0712 (10) | |
H11A | 0.0980 | −0.0694 | −0.1032 | 0.085* | |
C12 | 0.04265 (15) | 0.0641 (4) | −0.1415 (2) | 0.0722 (10) | |
H12A | 0.0188 | 0.0102 | −0.1772 | 0.087* | |
C13 | 0.03090 (13) | 0.1930 (4) | −0.13194 (19) | 0.0736 (10) | |
H13A | −0.0009 | 0.2259 | −0.1618 | 0.088* | |
C14 | 0.06609 (13) | 0.2726 (3) | −0.07847 (18) | 0.0611 (8) | |
H14A | 0.0576 | 0.3582 | −0.0718 | 0.073* | |
C15 | 0.09140 (15) | 0.4619 (5) | 0.1626 (3) | 0.0901 (14) | |
H15A | 0.0807 | 0.4098 | 0.1198 | 0.108* | |
C16 | 0.05754 (17) | 0.4841 (5) | 0.1942 (3) | 0.1060 (17) | |
H16A | 0.0257 | 0.4469 | 0.1737 | 0.127* | |
C17 | 0.07332 (16) | 0.5629 (4) | 0.2568 (3) | 0.0889 (13) | |
H17A | 0.0523 | 0.5783 | 0.2801 | 0.107* | |
C18 | 0.11952 (14) | 0.6178 (4) | 0.2842 (2) | 0.0724 (10) | |
H18A | 0.1301 | 0.6737 | 0.3255 | 0.087* | |
C19 | 0.15118 (13) | 0.5898 (4) | 0.25016 (18) | 0.0629 (8) | |
H19A | 0.1830 | 0.6274 | 0.2700 | 0.075* | |
C20 | 0.28434 (14) | −0.0232 (3) | 0.06481 (18) | 0.0600 (8) | |
H20A | 0.3121 | −0.0055 | 0.0554 | 0.072* | |
C21 | 0.24322 (18) | −0.1710 (4) | 0.1162 (3) | 0.0932 (13) | |
H21A | 0.2179 | −0.1039 | 0.0983 | 0.140* | |
H21B | 0.2559 | −0.1784 | 0.1697 | 0.140* | |
H21C | 0.2289 | −0.2535 | 0.0933 | 0.140* | |
C22 | 0.3250 (2) | −0.2287 (5) | 0.1202 (3) | 0.128 (2) | |
H22A | 0.3498 | −0.1966 | 0.1048 | 0.191* | |
H22B | 0.3129 | −0.3127 | 0.0973 | 0.191* | |
H22C | 0.3397 | −0.2379 | 0.1737 | 0.191* | |
N5 | 0.0625 (2) | 0.2515 (4) | 0.5021 (3) | 0.1091 (13) | |
O5 | 0.06184 (19) | 0.3711 (5) | 0.4041 (3) | 0.1551 (17) | |
C23 | 0.0820 (3) | 0.3310 (6) | 0.4681 (4) | 0.127 (2) | |
H23A | 0.1148 | 0.3590 | 0.4966 | 0.153* | |
C24 | 0.0116 (3) | 0.2040 (9) | 0.4621 (5) | 0.182 (3) | |
H24A | −0.0039 | 0.2456 | 0.4139 | 0.274* | |
H24B | −0.0071 | 0.2242 | 0.4904 | 0.274* | |
H24C | 0.0121 | 0.1105 | 0.4557 | 0.274* | |
C25 | 0.0927 (3) | 0.2040 (8) | 0.5748 (3) | 0.179 (3) | |
H25A | 0.1251 | 0.2450 | 0.5935 | 0.269* | |
H25B | 0.0964 | 0.1105 | 0.5729 | 0.269* | |
H25C | 0.0771 | 0.2243 | 0.6074 | 0.269* | |
O6 | 0.0000 | 0.2198 (13) | 0.2500 | 0.135 (4)* | 0.50 |
HO6 | 0.0036 | 0.2643 | 0.2859 | 0.16* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.0526 (2) | 0.0475 (2) | 0.0458 (2) | 0.00019 (17) | 0.02255 (17) | −0.00788 (16) |
Ni2 | 0.0509 (3) | 0.0375 (3) | 0.0350 (2) | 0.0035 (2) | 0.0182 (2) | 0.0003 (2) |
O1 | 0.0579 (13) | 0.0694 (15) | 0.0640 (13) | −0.0068 (11) | 0.0284 (11) | −0.0263 (11) |
O2 | 0.0511 (11) | 0.0515 (11) | 0.0422 (10) | 0.0038 (9) | 0.0190 (9) | −0.0066 (9) |
O3 | 0.0518 (11) | 0.0566 (12) | 0.0481 (10) | 0.0007 (10) | 0.0218 (9) | −0.0094 (10) |
O4 | 0.0661 (14) | 0.0469 (12) | 0.0631 (13) | 0.0101 (10) | 0.0291 (11) | 0.0136 (10) |
N1 | 0.0514 (13) | 0.0423 (12) | 0.0391 (11) | −0.0004 (11) | 0.0206 (10) | −0.0018 (10) |
N2 | 0.0560 (14) | 0.0413 (12) | 0.0361 (11) | 0.0008 (11) | 0.0208 (10) | −0.0011 (10) |
N3 | 0.0565 (16) | 0.0600 (16) | 0.0618 (16) | 0.0022 (13) | 0.0277 (13) | −0.0099 (13) |
N4 | 0.085 (2) | 0.0509 (16) | 0.0776 (18) | 0.0123 (15) | 0.0382 (16) | 0.0208 (15) |
C1 | 0.0597 (18) | 0.0471 (16) | 0.0493 (15) | −0.0047 (14) | 0.0243 (14) | −0.0063 (13) |
C2 | 0.0557 (17) | 0.0386 (14) | 0.0407 (13) | −0.0017 (12) | 0.0198 (12) | −0.0005 (12) |
C3 | 0.0567 (18) | 0.0530 (17) | 0.0493 (16) | 0.0026 (14) | 0.0222 (14) | −0.0034 (14) |
C4 | 0.0526 (18) | 0.066 (2) | 0.0621 (19) | −0.0051 (16) | 0.0171 (15) | −0.0081 (17) |
C5 | 0.070 (2) | 0.069 (2) | 0.0554 (18) | −0.0124 (18) | 0.0183 (17) | −0.0194 (17) |
C6 | 0.071 (2) | 0.062 (2) | 0.0592 (18) | −0.0055 (17) | 0.0277 (17) | −0.0221 (16) |
C7 | 0.0537 (16) | 0.0374 (13) | 0.0383 (13) | 0.0038 (12) | 0.0203 (12) | 0.0037 (11) |
C8 | 0.0522 (16) | 0.0425 (15) | 0.0364 (13) | 0.0017 (12) | 0.0185 (12) | 0.0014 (12) |
C9 | 0.0498 (16) | 0.0519 (16) | 0.0391 (13) | −0.0020 (13) | 0.0210 (12) | 0.0003 (12) |
C10 | 0.0573 (18) | 0.0510 (17) | 0.0606 (17) | −0.0082 (15) | 0.0255 (15) | −0.0075 (15) |
C11 | 0.079 (2) | 0.060 (2) | 0.083 (2) | −0.0166 (19) | 0.042 (2) | −0.0159 (19) |
C12 | 0.072 (2) | 0.086 (3) | 0.0583 (19) | −0.027 (2) | 0.0279 (18) | −0.0196 (19) |
C13 | 0.0532 (19) | 0.092 (3) | 0.060 (2) | −0.0021 (19) | 0.0097 (16) | −0.001 (2) |
C14 | 0.0591 (19) | 0.065 (2) | 0.0548 (17) | 0.0007 (16) | 0.0197 (15) | −0.0009 (16) |
C15 | 0.072 (2) | 0.110 (3) | 0.098 (3) | −0.019 (2) | 0.045 (2) | −0.057 (3) |
C16 | 0.074 (3) | 0.140 (4) | 0.115 (4) | −0.030 (3) | 0.050 (3) | −0.068 (3) |
C17 | 0.080 (3) | 0.102 (3) | 0.100 (3) | −0.013 (2) | 0.053 (2) | −0.043 (3) |
C18 | 0.075 (2) | 0.075 (2) | 0.073 (2) | 0.003 (2) | 0.037 (2) | −0.016 (2) |
C19 | 0.063 (2) | 0.068 (2) | 0.0634 (19) | −0.0055 (17) | 0.0326 (17) | −0.0170 (17) |
C20 | 0.069 (2) | 0.0536 (18) | 0.0627 (19) | 0.0058 (17) | 0.0335 (17) | 0.0095 (16) |
C21 | 0.110 (3) | 0.071 (3) | 0.121 (4) | 0.007 (2) | 0.072 (3) | 0.030 (2) |
C22 | 0.123 (4) | 0.093 (3) | 0.189 (6) | 0.053 (3) | 0.088 (4) | 0.073 (4) |
N5 | 0.148 (4) | 0.090 (3) | 0.103 (3) | 0.019 (3) | 0.066 (3) | 0.013 (2) |
O5 | 0.181 (4) | 0.149 (4) | 0.149 (3) | 0.046 (3) | 0.084 (3) | 0.059 (3) |
C23 | 0.164 (6) | 0.091 (4) | 0.128 (5) | 0.019 (4) | 0.064 (5) | 0.004 (4) |
C24 | 0.131 (6) | 0.233 (9) | 0.201 (8) | −0.009 (6) | 0.087 (6) | −0.009 (7) |
C25 | 0.267 (10) | 0.147 (6) | 0.108 (5) | 0.031 (6) | 0.066 (6) | 0.016 (4) |
Ni1—O1 | 1.823 (2) | C10—H10A | 0.9300 |
Ni1—N1 | 1.841 (2) | C11—C12 | 1.377 (6) |
Ni1—O3 | 1.8642 (19) | C11—H11A | 0.9300 |
Ni1—N3 | 1.950 (3) | C12—C13 | 1.389 (5) |
Ni2—O2i | 2.0226 (18) | C12—H12A | 0.9300 |
Ni2—O2 | 2.0226 (18) | C13—C14 | 1.381 (5) |
Ni2—N2i | 2.101 (2) | C13—H13A | 0.9300 |
Ni2—N2 | 2.101 (2) | C14—H14A | 0.9300 |
Ni2—O4 | 2.137 (2) | C15—C16 | 1.404 (5) |
Ni2—O4i | 2.137 (2) | C15—H15A | 0.9300 |
O1—C1 | 1.318 (4) | C16—C17 | 1.374 (5) |
O2—C7 | 1.280 (3) | C16—H16A | 0.9300 |
O3—C8 | 1.316 (3) | C17—C18 | 1.352 (5) |
O4—C20 | 1.208 (4) | C17—H17A | 0.9300 |
N1—C7 | 1.325 (4) | C18—C19 | 1.394 (5) |
N1—N2 | 1.427 (3) | C18—H18A | 0.9300 |
N2—C8 | 1.306 (3) | C19—H19A | 0.9300 |
N3—C15 | 1.334 (5) | C20—H20A | 0.9300 |
N3—C19 | 1.349 (4) | C21—H21A | 0.9600 |
N4—C20 | 1.321 (4) | C21—H21B | 0.9600 |
N4—C21 | 1.440 (5) | C21—H21C | 0.9600 |
N4—C22 | 1.447 (5) | C22—H22A | 0.9600 |
C1—C6 | 1.414 (4) | C22—H22B | 0.9600 |
C1—C2 | 1.418 (4) | C22—H22C | 0.9600 |
C2—C3 | 1.413 (4) | N5—C23 | 1.328 (7) |
C2—C7 | 1.485 (4) | N5—C25 | 1.410 (7) |
C3—C4 | 1.366 (4) | N5—C24 | 1.447 (8) |
C3—H3A | 0.9300 | O5—C23 | 1.213 (6) |
C4—C5 | 1.393 (5) | C23—H23A | 0.9300 |
C4—H4A | 0.9300 | C24—H24A | 0.9600 |
C5—C6 | 1.375 (5) | C24—H24B | 0.9600 |
C5—H5A | 0.9300 | C24—H24C | 0.9600 |
C6—H6A | 0.9300 | C25—H25A | 0.9600 |
C8—C9 | 1.490 (4) | C25—H25B | 0.9600 |
C9—C10 | 1.384 (4) | C25—H25C | 0.9600 |
C9—C14 | 1.403 (4) | O6—HO6 | 0.81 |
C10—C11 | 1.397 (5) | ||
O1—Ni1—N1 | 95.44 (10) | C9—C10—C11 | 119.9 (3) |
O1—Ni1—O3 | 177.84 (10) | C9—C10—H10A | 120.0 |
N1—Ni1—O3 | 83.53 (9) | C11—C10—H10A | 120.0 |
O1—Ni1—N3 | 89.20 (11) | C12—C11—C10 | 121.1 (4) |
N1—Ni1—N3 | 172.94 (11) | C12—C11—H11A | 119.5 |
O3—Ni1—N3 | 92.01 (10) | C10—C11—H11A | 119.5 |
O2i—Ni2—O2 | 180.00 (17) | C11—C12—C13 | 119.1 (3) |
O2i—Ni2—N2i | 78.54 (8) | C11—C12—H12A | 120.4 |
O2—Ni2—N2i | 101.46 (8) | C13—C12—H12A | 120.4 |
O2i—Ni2—N2 | 101.46 (8) | C14—C13—C12 | 120.5 (3) |
O2—Ni2—N2 | 78.54 (8) | C14—C13—H13A | 119.8 |
N2i—Ni2—N2 | 180.00 (8) | C12—C13—H13A | 119.8 |
O2i—Ni2—O4 | 88.48 (8) | C13—C14—C9 | 120.5 (3) |
O2—Ni2—O4 | 91.52 (8) | C13—C14—H14A | 119.8 |
N2i—Ni2—O4 | 90.95 (8) | C9—C14—H14A | 119.8 |
N2—Ni2—O4 | 89.05 (8) | N3—C15—C16 | 124.4 (4) |
O2i—Ni2—O4i | 91.52 (8) | N3—C15—H15A | 117.8 |
O2—Ni2—O4i | 88.48 (8) | C16—C15—H15A | 117.8 |
N2i—Ni2—O4i | 89.05 (8) | C17—C16—C15 | 117.5 (4) |
N2—Ni2—O4i | 90.95 (8) | C17—C16—H16A | 121.3 |
O4—Ni2—O4i | 180.00 (12) | C15—C16—H16A | 121.3 |
C1—O1—Ni1 | 126.79 (19) | C18—C17—C16 | 119.7 (4) |
C7—O2—Ni2 | 113.65 (17) | C18—C17—H17A | 120.1 |
C8—O3—Ni1 | 111.52 (17) | C16—C17—H17A | 120.1 |
C20—O4—Ni2 | 128.9 (2) | C17—C18—C19 | 119.4 (3) |
C7—N1—N2 | 114.7 (2) | C17—C18—H18A | 120.3 |
C7—N1—Ni1 | 130.59 (18) | C19—C18—H18A | 120.3 |
N2—N1—Ni1 | 114.21 (17) | N3—C19—C18 | 123.1 (3) |
C8—N2—N1 | 109.1 (2) | N3—C19—H19A | 118.5 |
C8—N2—Ni2 | 141.56 (18) | C18—C19—H19A | 118.5 |
N1—N2—Ni2 | 109.03 (16) | O4—C20—N4 | 125.1 (3) |
C15—N3—C19 | 115.9 (3) | O4—C20—H20A | 117.5 |
C15—N3—Ni1 | 121.1 (2) | N4—C20—H20A | 117.5 |
C19—N3—Ni1 | 122.9 (2) | N4—C21—H21A | 109.5 |
C20—N4—C21 | 121.5 (3) | N4—C21—H21B | 109.5 |
C20—N4—C22 | 122.1 (3) | H21A—C21—H21B | 109.5 |
C21—N4—C22 | 116.2 (3) | N4—C21—H21C | 109.5 |
O1—C1—C6 | 117.0 (3) | H21A—C21—H21C | 109.5 |
O1—C1—C2 | 125.1 (3) | H21B—C21—H21C | 109.5 |
C6—C1—C2 | 117.9 (3) | N4—C22—H22A | 109.5 |
C3—C2—C1 | 118.7 (3) | N4—C22—H22B | 109.5 |
C3—C2—C7 | 118.2 (2) | H22A—C22—H22B | 109.5 |
C1—C2—C7 | 123.1 (3) | N4—C22—H22C | 109.5 |
C4—C3—C2 | 122.2 (3) | H22A—C22—H22C | 109.5 |
C4—C3—H3A | 118.9 | H22B—C22—H22C | 109.5 |
C2—C3—H3A | 118.9 | C23—N5—C25 | 120.0 (7) |
C3—C4—C5 | 119.1 (3) | C23—N5—C24 | 120.1 (5) |
C3—C4—H4A | 120.4 | C25—N5—C24 | 119.6 (6) |
C5—C4—H4A | 120.4 | O5—C23—N5 | 127.2 (7) |
C6—C5—C4 | 120.6 (3) | O5—C23—H23A | 116.4 |
C6—C5—H5A | 119.7 | N5—C23—H23A | 116.4 |
C4—C5—H5A | 119.7 | N5—C24—H24A | 109.5 |
C5—C6—C1 | 121.4 (3) | N5—C24—H24B | 109.5 |
C5—C6—H6A | 119.3 | H24A—C24—H24B | 109.5 |
C1—C6—H6A | 119.3 | N5—C24—H24C | 109.5 |
O2—C7—N1 | 122.1 (2) | H24A—C24—H24C | 109.5 |
O2—C7—C2 | 119.3 (2) | H24B—C24—H24C | 109.5 |
N1—C7—C2 | 118.6 (2) | N5—C25—H25A | 109.5 |
N2—C8—O3 | 121.4 (2) | N5—C25—H25B | 109.5 |
N2—C8—C9 | 122.4 (2) | H25A—C25—H25B | 109.5 |
O3—C8—C9 | 116.2 (2) | N5—C25—H25C | 109.5 |
C10—C9—C14 | 118.9 (3) | H25A—C25—H25C | 109.5 |
C10—C9—C8 | 121.0 (3) | H25B—C25—H25C | 109.5 |
C14—C9—C8 | 119.9 (3) | ||
N1—Ni1—O1—C1 | −3.8 (3) | O1—C1—C6—C5 | −178.8 (3) |
N3—Ni1—O1—C1 | 170.9 (3) | C2—C1—C6—C5 | 0.0 (5) |
N2i—Ni2—O2—C7 | 168.53 (18) | Ni2—O2—C7—N1 | 9.2 (3) |
N2—Ni2—O2—C7 | −11.47 (18) | Ni2—O2—C7—C2 | −170.25 (18) |
O4—Ni2—O2—C7 | −100.18 (19) | N2—N1—C7—O2 | 1.7 (4) |
O4i—Ni2—O2—C7 | 79.82 (19) | Ni1—N1—C7—O2 | 173.01 (19) |
N1—Ni1—O3—C8 | 4.85 (18) | N2—N1—C7—C2 | −178.8 (2) |
N3—Ni1—O3—C8 | −169.67 (19) | Ni1—N1—C7—C2 | −7.5 (4) |
O2i—Ni2—O4—C20 | 103.0 (3) | C3—C2—C7—O2 | 3.2 (4) |
O2—Ni2—O4—C20 | −77.0 (3) | C1—C2—C7—O2 | −177.3 (3) |
N2i—Ni2—O4—C20 | 24.5 (3) | C3—C2—C7—N1 | −176.3 (3) |
N2—Ni2—O4—C20 | −155.5 (3) | C1—C2—C7—N1 | 3.3 (4) |
O1—Ni1—N1—C7 | 7.1 (3) | N1—N2—C8—O3 | 3.1 (3) |
O3—Ni1—N1—C7 | −174.8 (3) | Ni2—N2—C8—O3 | −169.2 (2) |
O1—Ni1—N1—N2 | 178.48 (17) | N1—N2—C8—C9 | −173.5 (2) |
O3—Ni1—N1—N2 | −3.43 (17) | Ni2—N2—C8—C9 | 14.2 (5) |
C7—N1—N2—C8 | 174.1 (2) | Ni1—O3—C8—N2 | −5.9 (3) |
Ni1—N1—N2—C8 | 1.3 (3) | Ni1—O3—C8—C9 | 170.87 (18) |
C7—N1—N2—Ni2 | −11.0 (3) | N2—C8—C9—C10 | 40.8 (4) |
Ni1—N1—N2—Ni2 | 176.24 (10) | O3—C8—C9—C10 | −135.8 (3) |
O2i—Ni2—N2—C8 | 4.0 (3) | N2—C8—C9—C14 | −143.5 (3) |
O2—Ni2—N2—C8 | −176.0 (3) | O3—C8—C9—C14 | 39.8 (4) |
O4—Ni2—N2—C8 | −84.3 (3) | C14—C9—C10—C11 | −0.5 (4) |
O4i—Ni2—N2—C8 | 95.7 (3) | C8—C9—C10—C11 | 175.3 (3) |
O2i—Ni2—N2—N1 | −168.30 (15) | C9—C10—C11—C12 | 1.2 (5) |
O2—Ni2—N2—N1 | 11.70 (15) | C10—C11—C12—C13 | −0.6 (6) |
O4—Ni2—N2—N1 | 103.44 (16) | C11—C12—C13—C14 | −0.6 (6) |
O4i—Ni2—N2—N1 | −76.56 (16) | C12—C13—C14—C9 | 1.3 (5) |
O1—Ni1—N3—C15 | −169.5 (3) | C10—C9—C14—C13 | −0.8 (5) |
O3—Ni1—N3—C15 | 12.3 (3) | C8—C9—C14—C13 | −176.5 (3) |
O1—Ni1—N3—C19 | 5.9 (3) | C19—N3—C15—C16 | −2.4 (7) |
O3—Ni1—N3—C19 | −172.3 (3) | Ni1—N3—C15—C16 | 173.3 (4) |
Ni1—O1—C1—C6 | −179.8 (2) | N3—C15—C16—C17 | 0.9 (8) |
Ni1—O1—C1—C2 | 1.5 (4) | C15—C16—C17—C18 | 1.5 (8) |
O1—C1—C2—C3 | 179.1 (3) | C16—C17—C18—C19 | −2.3 (7) |
C6—C1—C2—C3 | 0.5 (4) | C15—N3—C19—C18 | 1.6 (6) |
O1—C1—C2—C7 | −0.4 (5) | Ni1—N3—C19—C18 | −174.1 (3) |
C6—C1—C2—C7 | −179.1 (3) | C17—C18—C19—N3 | 0.7 (6) |
C1—C2—C3—C4 | −1.2 (4) | Ni2—O4—C20—N4 | 176.4 (2) |
C7—C2—C3—C4 | 178.3 (3) | C21—N4—C20—O4 | −2.3 (6) |
C2—C3—C4—C5 | 1.4 (5) | C22—N4—C20—O4 | −177.3 (4) |
C3—C4—C5—C6 | −0.9 (5) | C25—N5—C23—O5 | 173.9 (6) |
C4—C5—C6—C1 | 0.2 (6) | C24—N5—C23—O5 | −0.5 (10) |
Symmetry code: (i) −x+1/2, −y+1/2, −z. |