metal-organic compounds
The O atoms of the terdentate salicylaldehyde isonicotinoylhydrazone monoanion in the title compound, [V(C13H10NO2)(C13H10N3O2)O]·0.5C6H14, span two opposite sites of the octahedron surrounding the VIV atom. Two other sites of the polyhedron are occupied by the O atoms of the chelating N-benzoyl-N-phenylhydroxamine monoanion; the sixth position is occupied by the oxo O atom. The hexane solvent molecule lies on an inversion center.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804027497/wn6302sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804027497/wn6302Isup2.hkl |
CCDC reference: 258632
Computing details top
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
(N-Benzoyl-N-phenylhydroxlaminato-κ2O,O')oxo(salicylaldehyde
isonicotinoylhydrazonato-κ3O,N,N')vanadium(IV) hexane
hemisolvate top
Crystal data top
[V(C13H10NO2)(C13H10N3O2)O]·0.5C6H14 | Z = 2 |
Mr = 562.49 | F(000) = 582 |
Triclinic, P1 | Dx = 1.379 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.071 (2) Å | Cell parameters from 10306 reflections |
b = 12.016 (2) Å | θ = 3.3–27.4° |
c = 12.966 (3) Å | µ = 0.41 mm−1 |
α = 102.92 (3)° | T = 295 K |
β = 98.52 (3)° | Prism, red |
γ = 113.49 (3)° | 0.39 × 0.26 × 0.19 mm |
V = 1352.3 (5) Å3 |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 6103 independent reflections |
Radiation source: fine-focus sealed tube | 3780 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.036 |
ω scans | θmax = 27.5°, θmin = 3.2° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −11→13 |
Tmin = 0.725, Tmax = 0.926 | k = −15→15 |
12805 measured reflections | l = −16→16 |
Refinement top
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)] = 0.058 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.141 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0737P)2 + 0.0547P] where P = (Fo2 + 2Fc2)/3 |
6103 reflections | (Δ/σ)max = 0.001 |
352 parameters | Δρmax = 0.34 e Å−3 |
3 restraints | Δρmin = −0.44 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
V1 | 0.64737 (6) | 0.79909 (4) | 0.78465 (3) | 0.05068 (17) | |
O1 | 0.8236 (2) | 0.80155 (19) | 0.85510 (15) | 0.0593 (5) | |
O2 | 0.4668 (2) | 0.72947 (19) | 0.66481 (15) | 0.0594 (5) | |
O3 | 0.5431 (2) | 0.60044 (16) | 0.78477 (14) | 0.0538 (5) | |
O4 | 0.5403 (2) | 0.79930 (16) | 0.89018 (14) | 0.0513 (5) | |
O5 | 0.7097 (3) | 0.94608 (18) | 0.79665 (16) | 0.0688 (6) | |
N1 | 0.7081 (3) | 0.7398 (2) | 0.64337 (17) | 0.0490 (5) | |
N2 | 0.5942 (3) | 0.6804 (2) | 0.54636 (18) | 0.0559 (6) | |
H2n | 0.6032 | 0.6486 | 0.4830 | 0.067* | |
N3 | 0.0740 (4) | 0.5284 (3) | 0.3072 (3) | 0.0892 (9) | |
N4 | 0.4416 (2) | 0.68506 (19) | 0.89802 (16) | 0.0456 (5) | |
C1 | 0.9588 (3) | 0.8388 (2) | 0.8354 (2) | 0.0519 (7) | |
C2 | 1.0880 (3) | 0.8960 (3) | 0.9219 (2) | 0.0581 (7) | |
H2 | 1.0808 | 0.9139 | 0.9939 | 0.070* | |
C3 | 1.2260 (4) | 0.9263 (3) | 0.9016 (3) | 0.0664 (8) | |
H3 | 1.3114 | 0.9648 | 0.9603 | 0.080* | |
C4 | 1.2408 (4) | 0.9009 (3) | 0.7960 (3) | 0.0707 (9) | |
H4 | 1.3349 | 0.9207 | 0.7833 | 0.085* | |
C5 | 1.1145 (4) | 0.8459 (3) | 0.7101 (3) | 0.0660 (8) | |
H5 | 1.1238 | 0.8285 | 0.6387 | 0.079* | |
C6 | 0.9708 (3) | 0.8150 (3) | 0.7271 (2) | 0.0517 (7) | |
C7 | 0.8408 (3) | 0.7565 (3) | 0.6364 (2) | 0.0560 (7) | |
H7 | 0.8525 | 0.7283 | 0.5670 | 0.067* | |
C8 | 0.4725 (3) | 0.6807 (3) | 0.5662 (2) | 0.0518 (7) | |
C9 | 0.3355 (3) | 0.6262 (3) | 0.4763 (2) | 0.0532 (7) | |
C10 | 0.3287 (4) | 0.5681 (3) | 0.3705 (2) | 0.0667 (8) | |
H10 | 0.4119 | 0.5608 | 0.3532 | 0.080* | |
C11 | 0.1966 (5) | 0.5209 (3) | 0.2903 (3) | 0.0820 (11) | |
H11 | 0.1937 | 0.4809 | 0.2192 | 0.098* | |
C12 | 0.0813 (5) | 0.5830 (4) | 0.4093 (4) | 0.0973 (13) | |
H12 | −0.0037 | 0.5889 | 0.4240 | 0.117* | |
C13 | 0.2075 (4) | 0.6320 (4) | 0.4957 (3) | 0.0824 (11) | |
H13 | 0.2059 | 0.6687 | 0.5664 | 0.099* | |
C14 | 0.4499 (3) | 0.5813 (2) | 0.84043 (19) | 0.0431 (6) | |
C15 | 0.3506 (3) | 0.4513 (2) | 0.8396 (2) | 0.0440 (6) | |
C16 | 0.3027 (3) | 0.3542 (3) | 0.7413 (2) | 0.0578 (7) | |
H16 | 0.3308 | 0.3729 | 0.6797 | 0.069* | |
C17 | 0.2138 (4) | 0.2305 (3) | 0.7349 (3) | 0.0754 (10) | |
H17 | 0.1809 | 0.1659 | 0.6686 | 0.090* | |
C18 | 0.1728 (4) | 0.2009 (3) | 0.8250 (3) | 0.0772 (10) | |
H18 | 0.1118 | 0.1168 | 0.8196 | 0.093* | |
C19 | 0.2221 (3) | 0.2961 (3) | 0.9236 (3) | 0.0612 (8) | |
H19 | 0.1957 | 0.2760 | 0.9852 | 0.073* | |
C20 | 0.3100 (3) | 0.4205 (3) | 0.9312 (2) | 0.0495 (6) | |
H20 | 0.3427 | 0.4845 | 0.9979 | 0.059* | |
C21 | 0.3507 (3) | 0.6970 (2) | 0.97120 (19) | 0.0430 (6) | |
C22 | 0.1973 (3) | 0.6420 (3) | 0.9324 (2) | 0.0548 (7) | |
H22 | 0.1505 | 0.5976 | 0.8584 | 0.066* | |
C23 | 0.1143 (4) | 0.6543 (3) | 1.0060 (3) | 0.0711 (9) | |
H23 | 0.0101 | 0.6165 | 0.9815 | 0.085* | |
C24 | 0.1834 (5) | 0.7212 (4) | 1.1141 (3) | 0.0820 (11) | |
H24 | 0.1263 | 0.7282 | 1.1631 | 0.098* | |
C25 | 0.3362 (5) | 0.7778 (4) | 1.1504 (3) | 0.0863 (11) | |
H25 | 0.3827 | 0.8254 | 1.2239 | 0.104* | |
C26 | 0.4231 (4) | 0.7654 (3) | 1.0796 (2) | 0.0625 (8) | |
H26 | 0.5272 | 0.8022 | 1.1045 | 0.075* | |
C27 | 0.5778 (4) | 1.0216 (5) | 0.5374 (3) | 0.1172 (16) | |
H27A | 0.6245 | 1.1137 | 0.5699 | 0.141* | |
H27B | 0.5660 | 0.9844 | 0.5966 | 0.141* | |
C28 | 0.6781 (6) | 0.9863 (5) | 0.4809 (5) | 0.135 (2) | |
H28A | 0.6848 | 1.0175 | 0.4181 | 0.162* | |
H28B | 0.6375 | 0.8940 | 0.4545 | 0.162* | |
C29 | 0.8377 (6) | 1.0443 (5) | 0.5606 (4) | 0.1297 (17) | |
H29A | 0.9022 | 1.0208 | 0.5226 | 0.195* | |
H29B | 0.8312 | 1.0122 | 0.6221 | 0.195* | |
H29C | 0.8782 | 1.1357 | 0.5860 | 0.195* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
V1 | 0.0599 (3) | 0.0470 (3) | 0.0413 (2) | 0.0169 (2) | 0.0237 (2) | 0.01337 (19) |
O1 | 0.0553 (12) | 0.0685 (13) | 0.0468 (10) | 0.0156 (10) | 0.0210 (9) | 0.0229 (9) |
O2 | 0.0629 (13) | 0.0682 (13) | 0.0475 (10) | 0.0293 (11) | 0.0238 (10) | 0.0126 (9) |
O3 | 0.0621 (12) | 0.0456 (11) | 0.0525 (10) | 0.0185 (9) | 0.0329 (10) | 0.0120 (8) |
O4 | 0.0604 (12) | 0.0415 (10) | 0.0448 (9) | 0.0147 (9) | 0.0238 (9) | 0.0091 (8) |
O5 | 0.0935 (16) | 0.0506 (12) | 0.0569 (11) | 0.0228 (11) | 0.0320 (12) | 0.0167 (9) |
N1 | 0.0531 (14) | 0.0482 (13) | 0.0442 (12) | 0.0188 (11) | 0.0178 (11) | 0.0156 (10) |
N2 | 0.0641 (16) | 0.0598 (15) | 0.0404 (12) | 0.0260 (13) | 0.0202 (12) | 0.0082 (10) |
N3 | 0.081 (2) | 0.089 (2) | 0.075 (2) | 0.0300 (19) | −0.0015 (18) | 0.0150 (17) |
N4 | 0.0488 (13) | 0.0411 (12) | 0.0417 (11) | 0.0136 (10) | 0.0203 (10) | 0.0106 (9) |
C1 | 0.0620 (19) | 0.0396 (15) | 0.0576 (16) | 0.0194 (14) | 0.0248 (15) | 0.0220 (12) |
C2 | 0.060 (2) | 0.0507 (17) | 0.0582 (17) | 0.0201 (15) | 0.0127 (16) | 0.0188 (14) |
C3 | 0.058 (2) | 0.0547 (19) | 0.077 (2) | 0.0209 (16) | 0.0086 (17) | 0.0190 (16) |
C4 | 0.052 (2) | 0.069 (2) | 0.089 (2) | 0.0258 (17) | 0.0243 (19) | 0.0209 (18) |
C5 | 0.066 (2) | 0.066 (2) | 0.071 (2) | 0.0308 (17) | 0.0334 (18) | 0.0182 (16) |
C6 | 0.0548 (18) | 0.0472 (16) | 0.0545 (15) | 0.0216 (14) | 0.0226 (14) | 0.0157 (12) |
C7 | 0.067 (2) | 0.0539 (17) | 0.0510 (15) | 0.0256 (15) | 0.0304 (16) | 0.0174 (13) |
C8 | 0.0622 (19) | 0.0483 (16) | 0.0467 (14) | 0.0234 (14) | 0.0228 (14) | 0.0149 (12) |
C9 | 0.0604 (19) | 0.0461 (16) | 0.0511 (15) | 0.0226 (14) | 0.0164 (14) | 0.0128 (12) |
C10 | 0.076 (2) | 0.065 (2) | 0.0544 (17) | 0.0300 (18) | 0.0179 (17) | 0.0112 (15) |
C11 | 0.097 (3) | 0.079 (3) | 0.0551 (19) | 0.036 (2) | 0.009 (2) | 0.0084 (17) |
C12 | 0.071 (3) | 0.124 (4) | 0.092 (3) | 0.049 (3) | 0.013 (2) | 0.021 (3) |
C13 | 0.072 (2) | 0.100 (3) | 0.065 (2) | 0.042 (2) | 0.0142 (19) | 0.0047 (19) |
C14 | 0.0458 (15) | 0.0424 (14) | 0.0375 (12) | 0.0165 (12) | 0.0144 (12) | 0.0097 (11) |
C15 | 0.0410 (15) | 0.0448 (15) | 0.0474 (14) | 0.0182 (12) | 0.0167 (12) | 0.0152 (11) |
C16 | 0.0580 (18) | 0.0511 (17) | 0.0538 (16) | 0.0172 (15) | 0.0180 (14) | 0.0090 (13) |
C17 | 0.071 (2) | 0.0484 (19) | 0.082 (2) | 0.0120 (17) | 0.0178 (19) | 0.0052 (16) |
C18 | 0.062 (2) | 0.0443 (18) | 0.119 (3) | 0.0150 (16) | 0.027 (2) | 0.0285 (19) |
C19 | 0.0542 (19) | 0.063 (2) | 0.084 (2) | 0.0296 (16) | 0.0300 (17) | 0.0413 (17) |
C20 | 0.0477 (16) | 0.0569 (17) | 0.0522 (15) | 0.0270 (14) | 0.0164 (13) | 0.0235 (13) |
C21 | 0.0491 (16) | 0.0427 (14) | 0.0422 (13) | 0.0216 (13) | 0.0208 (12) | 0.0144 (11) |
C22 | 0.0517 (18) | 0.0520 (17) | 0.0611 (17) | 0.0224 (14) | 0.0150 (14) | 0.0202 (13) |
C23 | 0.057 (2) | 0.069 (2) | 0.109 (3) | 0.0338 (18) | 0.044 (2) | 0.042 (2) |
C24 | 0.098 (3) | 0.090 (3) | 0.096 (3) | 0.057 (2) | 0.071 (3) | 0.041 (2) |
C25 | 0.106 (3) | 0.099 (3) | 0.0536 (18) | 0.047 (2) | 0.039 (2) | 0.0084 (17) |
C26 | 0.0597 (19) | 0.074 (2) | 0.0439 (14) | 0.0258 (16) | 0.0174 (14) | 0.0069 (14) |
C27 | 0.153 (5) | 0.120 (4) | 0.097 (3) | 0.064 (4) | 0.054 (3) | 0.047 (3) |
C28 | 0.163 (5) | 0.132 (4) | 0.150 (5) | 0.076 (4) | 0.095 (5) | 0.065 (4) |
C29 | 0.112 (4) | 0.147 (5) | 0.133 (4) | 0.053 (4) | 0.030 (4) | 0.061 (4) |
Geometric parameters (Å, º) top
V1—O1 | 1.858 (2) | C12—C13 | 1.380 (5) |
V1—O2 | 1.947 (2) | C12—H12 | 0.9300 |
V1—O3 | 2.192 (2) | C13—H13 | 0.9300 |
V1—O4 | 1.863 (2) | C14—C15 | 1.478 (4) |
V1—O5 | 1.582 (2) | C15—C16 | 1.387 (4) |
V1—N1 | 2.081 (2) | C15—C20 | 1.391 (3) |
O1—C1 | 1.337 (3) | C16—C17 | 1.371 (4) |
O2—C8 | 1.301 (3) | C16—H16 | 0.9300 |
O3—C14 | 1.248 (3) | C17—C18 | 1.367 (5) |
O4—N4 | 1.374 (3) | C17—H17 | 0.9300 |
N1—C7 | 1.290 (3) | C18—C19 | 1.376 (5) |
N1—N2 | 1.388 (3) | C18—H18 | 0.9300 |
N2—C8 | 1.290 (3) | C19—C20 | 1.372 (4) |
N2—H2n | 0.8600 | C19—H19 | 0.9300 |
N3—C12 | 1.316 (5) | C20—H20 | 0.9300 |
N3—C11 | 1.319 (4) | C21—C26 | 1.373 (4) |
N4—C14 | 1.343 (3) | C21—C22 | 1.372 (4) |
N4—C21 | 1.436 (3) | C22—C23 | 1.379 (4) |
C1—C2 | 1.391 (4) | C22—H22 | 0.9300 |
C1—C6 | 1.402 (4) | C23—C24 | 1.363 (5) |
C2—C3 | 1.372 (4) | C23—H23 | 0.9300 |
C2—H2 | 0.9300 | C24—C25 | 1.364 (5) |
C3—C4 | 1.378 (5) | C24—H24 | 0.9300 |
C3—H3 | 0.9300 | C25—C26 | 1.383 (4) |
C4—C5 | 1.370 (5) | C25—H25 | 0.9300 |
C4—H4 | 0.9300 | C26—H26 | 0.9300 |
C5—C6 | 1.408 (4) | C27—C28 | 1.470 (5) |
C5—H5 | 0.9300 | C27—C27i | 1.530 (7) |
C6—C7 | 1.426 (4) | C27—H27A | 0.9700 |
C7—H7 | 0.9300 | C27—H27B | 0.9700 |
C8—C9 | 1.467 (4) | C28—C29 | 1.558 (6) |
C9—C10 | 1.372 (4) | C28—H28A | 0.9700 |
C9—C13 | 1.375 (4) | C28—H28B | 0.9700 |
C10—C11 | 1.378 (5) | C29—H29A | 0.9600 |
C10—H10 | 0.9300 | C29—H29B | 0.9600 |
C11—H11 | 0.9300 | C29—H29C | 0.9600 |
O1—V1—O2 | 153.0 (1) | N3—C12—H12 | 118.1 |
O1—V1—O3 | 84.4 (1) | C13—C12—H12 | 118.1 |
O1—V1—O4 | 104.6 (1) | C9—C13—C12 | 119.4 (3) |
O1—V1—O5 | 98.5 (1) | C9—C13—H13 | 120.3 |
O1—V1—N1 | 83.4 (1) | C12—C13—H13 | 120.3 |
O2—V1—O3 | 79.8 (1) | O3—C14—N4 | 116.2 (2) |
O2—V1—O4 | 92.4 (1) | O3—C14—C15 | 121.7 (2) |
O2—V1—O5 | 100.2 (1) | N4—C14—C15 | 122.1 (2) |
O2—V1—N1 | 74.6 (1) | C16—C15—C20 | 118.9 (3) |
O3—V1—O4 | 75.2 (1) | C16—C15—C14 | 116.6 (2) |
O3—V1—O5 | 171.8 (1) | C20—C15—C14 | 124.4 (2) |
O3—V1—N1 | 89.0 (1) | C17—C16—C15 | 120.0 (3) |
O4—V1—O5 | 96.7 (1) | C17—C16—H16 | 120.0 |
O4—V1—N1 | 161.2 (1) | C15—C16—H16 | 120.0 |
O5—V1—N1 | 98.9 (1) | C18—C17—C16 | 120.8 (3) |
C1—O1—V1 | 131.81 (18) | C18—C17—H17 | 119.6 |
C8—O2—V1 | 118.08 (18) | C16—C17—H17 | 119.6 |
C14—O3—V1 | 112.42 (15) | C17—C18—C19 | 119.8 (3) |
N4—O4—V1 | 119.39 (13) | C17—C18—H18 | 120.1 |
C7—N1—N2 | 117.1 (2) | C19—C18—H18 | 120.1 |
C7—N1—V1 | 126.8 (2) | C20—C19—C18 | 120.1 (3) |
N2—N1—V1 | 116.05 (16) | C20—C19—H19 | 119.9 |
C8—N2—N1 | 109.2 (2) | C18—C19—H19 | 119.9 |
C8—N2—H2n | 125.4 | C19—C20—C15 | 120.3 (3) |
N1—N2—H2n | 125.4 | C19—C20—H20 | 119.8 |
C12—N3—C11 | 116.0 (3) | C15—C20—H20 | 119.8 |
C14—N4—O4 | 115.43 (19) | C26—C21—C22 | 122.1 (2) |
C14—N4—C21 | 130.3 (2) | C26—C21—N4 | 117.5 (2) |
O4—N4—C21 | 114.16 (18) | C22—C21—N4 | 120.3 (2) |
O1—C1—C2 | 120.3 (2) | C21—C22—C23 | 118.3 (3) |
O1—C1—C6 | 120.2 (3) | C21—C22—H22 | 120.8 |
C2—C1—C6 | 119.5 (3) | C23—C22—H22 | 120.8 |
C3—C2—C1 | 120.3 (3) | C24—C23—C22 | 120.7 (3) |
C3—C2—H2 | 119.8 | C24—C23—H23 | 119.7 |
C1—C2—H2 | 119.8 | C22—C23—H23 | 119.7 |
C2—C3—C4 | 121.4 (3) | C23—C24—C25 | 120.1 (3) |
C2—C3—H3 | 119.3 | C23—C24—H24 | 120.0 |
C4—C3—H3 | 119.3 | C25—C24—H24 | 120.0 |
C5—C4—C3 | 118.8 (3) | C24—C25—C26 | 120.9 (3) |
C5—C4—H4 | 120.6 | C24—C25—H25 | 119.5 |
C3—C4—H4 | 120.6 | C26—C25—H25 | 119.5 |
C4—C5—C6 | 121.7 (3) | C21—C26—C25 | 117.8 (3) |
C4—C5—H5 | 119.2 | C21—C26—H26 | 121.1 |
C6—C5—H5 | 119.2 | C25—C26—H26 | 121.1 |
C1—C6—C5 | 118.3 (3) | C28—C27—C27i | 113.8 (5) |
C1—C6—C7 | 121.1 (3) | C28—C27—H27A | 108.8 |
C5—C6—C7 | 120.6 (3) | C27i—C27—H27A | 108.8 |
N1—C7—C6 | 124.8 (2) | C28—C27—H27B | 108.8 |
N1—C7—H7 | 117.6 | C27i—C27—H27B | 108.8 |
C6—C7—H7 | 117.6 | H27A—C27—H27B | 107.7 |
N2—C8—O2 | 121.9 (3) | C27—C28—C29 | 110.3 (4) |
N2—C8—C9 | 120.1 (2) | C27—C28—H28A | 109.6 |
O2—C8—C9 | 118.0 (2) | C29—C28—H28A | 109.6 |
C10—C9—C13 | 117.2 (3) | C27—C28—H28B | 109.6 |
C10—C9—C8 | 122.2 (3) | C29—C28—H28B | 109.6 |
C13—C9—C8 | 120.6 (3) | H28A—C28—H28B | 108.1 |
C9—C10—C11 | 118.8 (3) | C28—C29—H29A | 109.5 |
C9—C10—H10 | 120.6 | C28—C29—H29B | 109.5 |
C11—C10—H10 | 120.6 | H29A—C29—H29B | 109.5 |
N3—C11—C10 | 124.7 (3) | C28—C29—H29C | 109.5 |
N3—C11—H11 | 117.7 | H29A—C29—H29C | 109.5 |
C10—C11—H11 | 117.7 | H29B—C29—H29C | 109.5 |
N3—C12—C13 | 123.9 (4) | ||
O5—V1—O1—C1 | −58.1 (2) | C1—C6—C7—N1 | 11.7 (4) |
O4—V1—O1—C1 | −157.4 (2) | C5—C6—C7—N1 | −170.7 (3) |
O2—V1—O1—C1 | 75.3 (3) | N1—N2—C8—O2 | −0.9 (4) |
N1—V1—O1—C1 | 39.9 (2) | N1—N2—C8—C9 | 178.4 (2) |
O3—V1—O1—C1 | 129.5 (2) | V1—O2—C8—N2 | −1.8 (4) |
O5—V1—O2—C8 | 99.0 (2) | V1—O2—C8—C9 | 178.95 (18) |
O1—V1—O2—C8 | −34.1 (3) | N2—C8—C9—C10 | 3.4 (4) |
O4—V1—O2—C8 | −163.78 (19) | O2—C8—C9—C10 | −177.4 (3) |
N1—V1—O2—C8 | 2.48 (19) | N2—C8—C9—C13 | −176.5 (3) |
O3—V1—O2—C8 | −89.3 (2) | O2—C8—C9—C13 | 2.8 (4) |
O5—V1—O3—C14 | 5.0 (8) | C13—C9—C10—C11 | 0.8 (5) |
O1—V1—O3—C14 | 116.36 (19) | C8—C9—C10—C11 | −179.1 (3) |
O4—V1—O3—C14 | 9.58 (18) | C12—N3—C11—C10 | −1.5 (6) |
O2—V1—O3—C14 | −85.63 (18) | C9—C10—C11—N3 | 0.8 (6) |
N1—V1—O3—C14 | −160.17 (19) | C11—N3—C12—C13 | 0.7 (6) |
O5—V1—O4—N4 | 168.68 (18) | C10—C9—C13—C12 | −1.5 (5) |
O1—V1—O4—N4 | −90.66 (18) | C8—C9—C13—C12 | 178.4 (3) |
O2—V1—O4—N4 | 68.16 (18) | N3—C12—C13—C9 | 0.8 (7) |
N1—V1—O4—N4 | 22.9 (4) | V1—O3—C14—N4 | −6.6 (3) |
O3—V1—O4—N4 | −10.67 (16) | V1—O3—C14—C15 | 171.22 (19) |
O5—V1—N1—C7 | 76.3 (2) | O4—N4—C14—O3 | −1.7 (3) |
O1—V1—N1—C7 | −21.4 (2) | C21—N4—C14—O3 | −178.3 (2) |
O4—V1—N1—C7 | −138.1 (3) | O4—N4—C14—C15 | −179.5 (2) |
O2—V1—N1—C7 | 174.4 (2) | C21—N4—C14—C15 | 3.8 (4) |
O3—V1—N1—C7 | −105.8 (2) | O3—C14—C15—C16 | −34.2 (4) |
O5—V1—N1—N2 | −101.13 (19) | N4—C14—C15—C16 | 143.6 (3) |
O1—V1—N1—N2 | 161.23 (18) | O3—C14—C15—C20 | 142.3 (3) |
O4—V1—N1—N2 | 44.5 (4) | N4—C14—C15—C20 | −40.0 (4) |
O2—V1—N1—N2 | −2.96 (17) | C20—C15—C16—C17 | 1.5 (4) |
O3—V1—N1—N2 | 76.76 (18) | C14—C15—C16—C17 | 178.2 (3) |
C7—N1—N2—C8 | −174.7 (2) | C15—C16—C17—C18 | −0.8 (5) |
V1—N1—N2—C8 | 2.9 (3) | C16—C17—C18—C19 | −0.5 (5) |
V1—O4—N4—C14 | 11.2 (3) | C17—C18—C19—C20 | 1.0 (5) |
V1—O4—N4—C21 | −171.62 (16) | C18—C19—C20—C15 | −0.3 (4) |
V1—O1—C1—C2 | 145.2 (2) | C16—C15—C20—C19 | −1.0 (4) |
V1—O1—C1—C6 | −37.8 (4) | C14—C15—C20—C19 | −177.3 (2) |
O1—C1—C2—C3 | 175.5 (3) | C14—N4—C21—C26 | 115.4 (3) |
C6—C1—C2—C3 | −1.5 (4) | O4—N4—C21—C26 | −61.3 (3) |
C1—C2—C3—C4 | −0.2 (4) | C14—N4—C21—C22 | −65.0 (4) |
C2—C3—C4—C5 | 1.0 (5) | O4—N4—C21—C22 | 118.3 (3) |
C3—C4—C5—C6 | 0.0 (5) | C26—C21—C22—C23 | −1.4 (4) |
O1—C1—C6—C5 | −174.6 (3) | N4—C21—C22—C23 | 179.0 (2) |
C2—C1—C6—C5 | 2.3 (4) | C21—C22—C23—C24 | 1.0 (5) |
O1—C1—C6—C7 | 3.0 (4) | C22—C23—C24—C25 | 0.6 (5) |
C2—C1—C6—C7 | 180.0 (3) | C23—C24—C25—C26 | −1.9 (6) |
C4—C5—C6—C1 | −1.6 (4) | C22—C21—C26—C25 | 0.1 (5) |
C4—C5—C6—C7 | −179.3 (3) | N4—C21—C26—C25 | 179.7 (3) |
N2—N1—C7—C6 | −179.7 (3) | C24—C25—C26—C21 | 1.6 (5) |
V1—N1—C7—C6 | 2.9 (4) | C27i—C27—C28—C29 | 175.0 (5) |
Symmetry code: (i) −x+1, −y+2, −z+1. |