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The V atom in the title compound, [V(C13H10NO2)(C18H16N2O3)O], is O,O′-chelated by an N-benzoyl­hydroxy­laminate ligand and O,N,O′-chelated by a benzoyl­acetone 4-methoxy­benzoyl­hydrazonate ligand. The oxo O atom occupies the sixth coordination site of the octahedral coordination.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805000929/kp6031sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805000929/kp6031Isup2.hkl
Contains datablock I

CCDC reference: 263560

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.036
  • wR factor = 0.110
  • Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT127_ALERT_1_C Implicit Hall Symbol Inconsistent with Explicit -P 2yc PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.51 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9' PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C14' PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C18' PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C5 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C8 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT301_ALERT_3_C Main Residue Disorder ......................... 25.00 Perc. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C3 - C4 ... 1.36 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O5 .. C18' .. 3.01 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

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.

(Benzoylacetone 4-methoxybenzoylhydrazonato-κ3O,N,O')(N– benzoylhydroxylaminato-κ2O,O')oxovanadium(IV) top
Crystal data top
[V(C13H10NO2)(C18H16N2O3)O]F(000) = 1216
Mr = 587.49Dx = 1.407 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ycCell parameters from 24313 reflections
a = 10.247 (2) Åθ = 3.2–27.5°
b = 12.387 (3) ŵ = 0.41 mm1
c = 21.858 (2) ÅT = 295 K
β = 90.59 (1)°Block, red
V = 2774.3 (8) Å30.36 × 0.25 × 0.19 mm
Z = 4
Data collection top
Rigaku R-AXIS RAPID
diffractometer
6307 independent reflections
Radiation source: fine-focus sealed tube4958 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.019
ω scansθmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 1213
Tmin = 0.791, Tmax = 0.927k = 1616
26700 measured reflectionsl = 2828
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.110H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0701P)2 + 0.1309P]
where P = (Fo2 + 2Fc2)/3
6307 reflections(Δ/σ)max = 0.001
499 parametersΔρmax = 0.26 e Å3
28 restraintsΔρmin = 0.23 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
V10.62943 (2)0.27417 (2)0.321465 (11)0.04258 (10)
O10.65813 (12)0.27806 (11)0.25015 (5)0.0618 (3)
O20.44664 (10)0.26228 (10)0.31690 (6)0.0531 (3)
O30.79812 (10)0.24063 (9)0.35548 (5)0.0465 (3)
O41.3271 (6)0.0311 (7)0.4504 (3)0.0662 (15)0.50
O4'1.3139 (6)0.0443 (7)0.4752 (3)0.0694 (17)0.50
O50.58888 (10)0.29540 (8)0.41953 (5)0.0440 (2)
O60.66593 (10)0.42010 (9)0.33773 (4)0.0441 (2)
N10.62552 (12)0.11048 (12)0.33526 (6)0.0512 (3)
N20.73545 (13)0.06447 (12)0.36323 (8)0.0615 (4)
N30.68758 (12)0.44901 (10)0.39775 (5)0.0414 (3)
C10.5424 (2)0.07491 (17)0.33616 (12)0.0844 (7)
H1a0.62980.09860.32820.127*
H1b0.48210.11560.31140.127*
H1c0.52320.08580.37860.127*
C20.53013 (16)0.04287 (15)0.32090 (8)0.0584 (5)
C30.41247 (16)0.08058 (16)0.29361 (9)0.0631 (5)
H30.35870.03000.27460.076*
C40.37265 (15)0.18490 (16)0.29327 (7)0.0514 (4)
C50.2398 (8)0.2108 (9)0.2682 (7)0.0394 (18)0.50
C60.1490 (10)0.1339 (8)0.2511 (7)0.0498 (16)0.50
H60.16740.06070.25470.060*0.50
C70.0308 (11)0.1686 (11)0.2285 (6)0.063 (2)0.50
H70.02550.11960.20970.076*0.50
C80.0050 (13)0.2753 (9)0.2333 (7)0.060 (2)0.50
H80.09040.29670.22510.072*0.50
C90.0877 (12)0.3496 (9)0.2505 (7)0.072 (2)0.50
H90.06950.42280.24620.087*0.50
C100.2081 (12)0.3182 (10)0.2742 (7)0.069 (3)0.50
H100.26440.36710.29300.082*0.50
C5'0.2433 (10)0.2328 (10)0.2754 (8)0.050 (3)0.50
C6'0.1420 (12)0.1659 (8)0.2552 (8)0.067 (3)0.50
H6'0.15930.09240.25180.081*0.50
C7'0.0185 (10)0.2009 (11)0.2400 (6)0.069 (3)0.50
H7'0.04870.15170.23330.082*0.50
C8'0.0042 (17)0.3106 (11)0.2348 (9)0.080 (4)0.50
H8'0.08340.33610.21950.096*0.50
C9'0.0920 (13)0.3808 (10)0.2525 (9)0.095 (4)0.50
H9'0.07530.45440.25540.114*0.50
C10'0.2151 (12)0.3401 (11)0.2661 (7)0.070 (3)0.50
H10'0.28370.38910.26920.084*0.50
C110.82171 (15)0.14026 (13)0.37066 (8)0.0498 (4)
C120.9578 (6)0.1115 (6)0.3879 (3)0.0412 (17)0.50
C131.0018 (3)0.0070 (3)0.3884 (2)0.0544 (8)0.50
H130.94710.04810.37480.065*0.50
C141.1261 (3)0.0173 (3)0.4086 (2)0.0600 (9)0.50
H141.15580.08820.40780.072*0.50
C151.2062 (6)0.0638 (6)0.4300 (2)0.0462 (14)0.50
C161.1615 (13)0.1678 (8)0.4352 (7)0.051 (3)0.50
H161.21270.22120.45330.061*0.50
C171.0377 (11)0.1910 (8)0.4127 (6)0.046 (2)0.50
H171.00740.26170.41430.055*0.50
C181.4126 (9)0.1156 (6)0.4707 (6)0.059 (3)0.50
H18a1.41350.17220.44070.089*0.50
H18b1.49930.08730.47590.089*0.50
H18c1.38250.14380.50890.089*0.50
C12'0.9472 (6)0.1172 (6)0.4043 (3)0.0390 (16)0.50
C13'0.9755 (4)0.0180 (3)0.4296 (2)0.0633 (10)0.50
H13'0.91170.03530.43040.076*0.50
C14'1.0976 (4)0.0028 (3)0.4538 (2)0.0701 (12)0.50
H14'1.11450.06920.47210.084*0.50
C15'1.1948 (6)0.0739 (6)0.4512 (2)0.0439 (13)0.50
C16'1.1689 (14)0.1729 (9)0.4236 (7)0.043 (2)0.50
H16'1.23440.22460.42080.051*0.50
C17'1.0451 (11)0.1949 (10)0.4000 (7)0.045 (2)0.50
H17'1.02770.26100.38150.054*0.50
C18'1.4172 (11)0.1230 (10)0.4724 (8)0.091 (5)0.50
H18d1.43270.14180.43050.136*0.50
H18e1.49540.09320.49020.136*0.50
H18f1.39240.18640.49470.136*0.50
C190.64343 (12)0.37870 (12)0.43930 (6)0.0379 (3)
C200.65778 (13)0.39737 (12)0.50606 (6)0.0393 (3)
C210.66920 (16)0.30555 (14)0.54248 (7)0.0484 (4)
H210.67210.23760.52440.058*
C220.67622 (19)0.31538 (17)0.60557 (8)0.0617 (5)
H220.68560.25410.62980.074*
C230.66929 (19)0.41525 (18)0.63237 (8)0.0659 (5)
H230.67340.42140.67470.079*
C240.65623 (19)0.50647 (17)0.59681 (8)0.0628 (5)
H240.65070.57390.61530.075*
C250.65137 (16)0.49806 (14)0.53369 (7)0.0489 (4)
H250.64380.55990.50980.059*
C260.77251 (14)0.53956 (12)0.40620 (7)0.0416 (3)
C270.89980 (16)0.52121 (15)0.42373 (9)0.0580 (4)
H270.93060.45110.42880.070*
C280.98117 (18)0.60844 (18)0.43362 (10)0.0746 (6)
H281.06720.59740.44610.090*
C290.9357 (2)0.71073 (17)0.42511 (10)0.0740 (6)
H290.99090.76910.43200.089*
C300.8089 (2)0.72863 (15)0.40639 (10)0.0683 (5)
H300.77900.79880.40050.082*
C310.72645 (16)0.64241 (13)0.39639 (8)0.0536 (4)
H310.64090.65360.38320.064*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
V10.03536 (14)0.05571 (18)0.03654 (15)0.00087 (11)0.00538 (10)0.00769 (10)
O10.0555 (7)0.0924 (10)0.0373 (6)0.0079 (6)0.0056 (5)0.0092 (6)
O20.0363 (5)0.0658 (7)0.0569 (7)0.0004 (5)0.0100 (5)0.0166 (5)
O30.0357 (5)0.0516 (6)0.0522 (6)0.0030 (4)0.0080 (4)0.0015 (5)
O40.0453 (18)0.056 (2)0.097 (4)0.0024 (14)0.015 (2)0.019 (3)
O4'0.042 (2)0.066 (3)0.100 (4)0.0078 (18)0.022 (3)0.029 (3)
O50.0451 (5)0.0471 (6)0.0399 (5)0.0127 (4)0.0018 (4)0.0034 (4)
O60.0470 (5)0.0513 (6)0.0340 (5)0.0032 (5)0.0062 (4)0.0040 (4)
N10.0375 (6)0.0567 (8)0.0593 (8)0.0029 (6)0.0053 (6)0.0177 (6)
N20.0415 (7)0.0510 (8)0.0916 (12)0.0015 (6)0.0161 (7)0.0086 (8)
N30.0444 (6)0.0431 (7)0.0365 (6)0.0071 (5)0.0052 (5)0.0004 (5)
C10.0624 (12)0.0584 (12)0.132 (2)0.0122 (10)0.0175 (12)0.0197 (12)
C20.0436 (8)0.0607 (10)0.0707 (12)0.0066 (7)0.0049 (8)0.0257 (9)
C30.0438 (9)0.0733 (12)0.0719 (12)0.0082 (8)0.0106 (8)0.0299 (10)
C40.0376 (7)0.0769 (12)0.0396 (8)0.0062 (7)0.0042 (6)0.0157 (8)
C50.033 (3)0.057 (4)0.028 (3)0.003 (3)0.0027 (15)0.020 (3)
C60.037 (2)0.052 (4)0.060 (3)0.012 (2)0.0192 (19)0.003 (3)
C70.052 (4)0.081 (5)0.056 (5)0.017 (3)0.013 (3)0.006 (4)
C80.033 (3)0.087 (8)0.060 (3)0.005 (4)0.010 (2)0.005 (5)
C90.064 (4)0.062 (5)0.089 (4)0.022 (4)0.018 (3)0.027 (4)
C100.056 (5)0.078 (6)0.071 (5)0.000 (3)0.030 (4)0.012 (4)
C5'0.040 (3)0.073 (6)0.037 (4)0.013 (3)0.005 (2)0.026 (4)
C6'0.062 (4)0.066 (6)0.073 (5)0.017 (4)0.013 (3)0.011 (5)
C7'0.036 (3)0.106 (11)0.063 (5)0.018 (4)0.010 (3)0.001 (5)
C8'0.046 (4)0.102 (9)0.092 (5)0.002 (5)0.011 (3)0.003 (6)
C9'0.060 (4)0.081 (7)0.144 (7)0.021 (4)0.031 (4)0.046 (6)
C10'0.044 (3)0.084 (5)0.082 (6)0.010 (3)0.000 (3)0.026 (5)
C110.0398 (7)0.0509 (9)0.0586 (9)0.0005 (7)0.0054 (7)0.0064 (7)
C120.040 (2)0.048 (2)0.035 (4)0.0022 (16)0.002 (2)0.006 (2)
C130.0431 (17)0.0448 (19)0.075 (3)0.0083 (14)0.0073 (18)0.0018 (18)
C140.0490 (19)0.0414 (18)0.089 (3)0.0008 (14)0.007 (2)0.0071 (19)
C150.0353 (18)0.053 (3)0.050 (3)0.0001 (16)0.003 (2)0.008 (3)
C160.044 (4)0.058 (5)0.051 (6)0.012 (3)0.013 (4)0.003 (3)
C170.052 (3)0.037 (3)0.049 (6)0.006 (2)0.008 (3)0.005 (3)
C180.043 (5)0.049 (4)0.085 (7)0.005 (3)0.024 (4)0.008 (3)
C12'0.0326 (19)0.050 (2)0.035 (4)0.0009 (15)0.0016 (19)0.003 (2)
C13'0.0462 (19)0.053 (2)0.090 (3)0.0158 (16)0.014 (2)0.010 (2)
C14'0.053 (2)0.051 (2)0.106 (3)0.0097 (17)0.022 (2)0.029 (2)
C15'0.040 (2)0.050 (2)0.041 (3)0.0063 (17)0.007 (2)0.009 (2)
C16'0.041 (3)0.042 (3)0.045 (4)0.006 (2)0.001 (2)0.011 (2)
C17'0.041 (3)0.051 (3)0.042 (5)0.007 (2)0.005 (2)0.011 (2)
C18'0.041 (5)0.107 (8)0.124 (11)0.030 (4)0.016 (6)0.014 (7)
C190.0324 (6)0.0430 (7)0.0382 (7)0.0033 (6)0.0018 (5)0.0019 (6)
C200.0326 (6)0.0498 (8)0.0355 (7)0.0050 (6)0.0018 (5)0.0010 (6)
C210.0494 (8)0.0516 (9)0.0442 (8)0.0109 (7)0.0032 (6)0.0033 (7)
C220.0649 (11)0.0758 (12)0.0444 (9)0.0147 (9)0.0052 (8)0.0152 (9)
C230.0697 (11)0.0914 (15)0.0367 (8)0.0057 (10)0.0023 (8)0.0055 (9)
C240.0684 (11)0.0735 (12)0.0463 (9)0.0054 (9)0.0033 (8)0.0182 (8)
C250.0500 (8)0.0533 (9)0.0432 (8)0.0021 (7)0.0038 (6)0.0050 (7)
C260.0388 (7)0.0445 (8)0.0415 (7)0.0075 (6)0.0020 (6)0.0045 (6)
C270.0436 (8)0.0544 (10)0.0757 (12)0.0022 (7)0.0097 (8)0.0154 (8)
C280.0466 (9)0.0805 (14)0.0962 (16)0.0198 (9)0.0204 (10)0.0250 (12)
C290.0710 (12)0.0643 (12)0.0864 (15)0.0332 (10)0.0148 (11)0.0146 (10)
C300.0754 (13)0.0452 (10)0.0842 (14)0.0091 (9)0.0027 (11)0.0112 (9)
C310.0459 (8)0.0491 (9)0.0656 (10)0.0015 (7)0.0072 (7)0.0091 (8)
Geometric parameters (Å, º) top
V1—O11.590 (1)C11—C12'1.502 (5)
V1—O21.880 (1)C12—C131.370 (7)
V1—O31.920 (1)C12—C171.387 (8)
V1—O52.203 (1)C13—C141.377 (4)
V1—O61.879 (1)C13—H130.9300
V1—N12.050 (2)C14—C151.375 (6)
O2—C41.324 (2)C14—H140.9300
O3—C111.309 (2)C15—C161.373 (8)
O4—C151.373 (5)C16—C171.385 (7)
O4—C181.432 (6)C16—H160.9300
O4'—C15'1.373 (5)C17—H170.9300
O4'—C18'1.440 (7)C18—H18a0.9600
O5—C191.249 (2)C18—H18b0.9600
O6—N31.376 (2)C18—H18c0.9600
N1—C21.323 (2)C12'—C13'1.377 (7)
N1—N21.398 (2)C12'—C17'1.394 (8)
N2—C111.298 (2)C13'—C14'1.377 (5)
N3—C191.340 (2)C13'—H13'0.9300
N3—C261.431 (2)C14'—C15'1.379 (6)
C1—C21.502 (3)C14'—H14'0.9300
C1—H1a0.9600C15'—C16'1.392 (8)
C1—H1b0.9600C16'—C17'1.391 (8)
C1—H1c0.9600C16'—H16'0.9300
C2—C31.419 (2)C17'—H17'0.9300
C3—C41.355 (3)C18'—H18d0.9600
C3—H30.9300C18'—H18e0.9600
C4—C51.497 (5)C18'—H18f0.9600
C4—C5'1.500 (6)C19—C201.483 (2)
C5—C101.376 (8)C20—C251.388 (2)
C5—C61.380 (8)C20—C211.392 (2)
C6—C71.372 (8)C21—C221.386 (2)
C6—H60.9300C21—H210.9300
C7—C81.376 (8)C22—C231.371 (3)
C7—H70.9300C22—H220.9300
C8—C91.372 (8)C23—C241.377 (3)
C8—H80.9300C23—H230.9300
C9—C101.388 (8)C24—C251.384 (2)
C9—H90.9300C24—H240.9300
C10—H100.9300C25—H250.9300
C5'—C10'1.374 (9)C26—C271.375 (2)
C5'—C6'1.397 (8)C26—C311.375 (2)
C6'—C7'1.376 (8)C27—C281.380 (3)
C6'—H6'0.9300C27—H270.9300
C7'—C8'1.382 (8)C28—C291.362 (3)
C7'—H7'0.9300C28—H280.9300
C8'—C9'1.369 (8)C29—C301.375 (3)
C8'—H8'0.9300C29—H290.9300
C9'—C10'1.388 (8)C30—C311.378 (2)
C9'—H9'0.9300C30—H300.9300
C10'—H10'0.9300C31—H310.9300
C11—C121.484 (5)
O1—V1—O298.31 (6)N2—C11—C12'120.1 (3)
O1—V1—O3102.20 (6)O3—C11—C12'117.4 (3)
O1—V1—O5171.41 (6)C13—C12—C17118.3 (6)
O1—V1—O696.77 (6)C13—C12—C11122.5 (6)
O1—V1—N1100.26 (6)C17—C12—C11118.6 (7)
O2—V1—O3153.61 (6)C12—C13—C14120.8 (4)
O2—V1—O582.15 (5)C12—C13—H13119.6
O2—V1—O6106.36 (5)C14—C13—H13119.6
O2—V1—N184.80 (5)C15—C14—C13119.8 (4)
O3—V1—O580.04 (5)C15—C14—H14120.1
O3—V1—O687.61 (5)C13—C14—H14120.1
O3—V1—N175.40 (5)C16—C15—O4123.4 (8)
O5—V1—O674.95 (4)C16—C15—C14121.0 (7)
O5—V1—N188.32 (5)O4—C15—C14115.4 (6)
O6—V1—N1158.07 (5)C15—C16—C17118 (1)
C4—O2—V1130.1 (1)C15—C16—H16121.0
C11—O3—V1117.8 (1)C17—C16—H16121.0
C15—O4—C18115.6 (7)C16—C17—C12121.8 (10)
C15'—O4'—C18'117.0 (8)C16—C17—H17119.1
C19—O5—V1110.3 (1)C12—C17—H17119.1
N3—O6—V1117.43 (8)C13'—C12'—C17'119.6 (7)
C2—N1—N2115.8 (2)C13'—C12'—C11122.9 (6)
C2—N1—V1127.4 (1)C17'—C12'—C11116.6 (7)
N2—N1—V1116.8 (1)C12'—C13'—C14'120.6 (4)
C11—N2—N1107.7 (1)C12'—C13'—H13'119.7
C19—N3—O6115.1 (1)C14'—C13'—H13'119.7
C19—N3—C26129.1 (1)C13'—C14'—C15'120.6 (4)
O6—N3—C26114.8 (1)C13'—C14'—H14'119.7
C2—C1—H1a109.5C15'—C14'—H14'119.7
C2—C1—H1b109.5O4'—C15'—C14'116.1 (6)
H1a—C1—H1b109.5O4'—C15'—C16'124.5 (8)
C2—C1—H1c109.5C14'—C15'—C16'119.4 (8)
H1a—C1—H1c109.5C17'—C16'—C15'120 (1)
H1b—C1—H1c109.5C17'—C16'—H16'119.9
N1—C2—C3120.9 (2)C15'—C16'—H16'119.9
N1—C2—C1120.2 (2)C16'—C17'—C12'120 (1)
C3—C2—C1118.8 (2)C16'—C17'—H17'120.2
C4—C3—C2124.8 (2)C12'—C17'—H17'120.2
C4—C3—H3117.6O4'—C18'—H18d109.5
C2—C3—H3117.6O4'—C18'—H18e109.5
O2—C4—C3121.1 (2)H18d—C18'—H18e109.5
O2—C4—C5120.2 (4)O4'—C18'—H18f109.5
C3—C4—C5118.6 (4)H18d—C18'—H18f109.5
O2—C4—C5'108.4 (5)H18e—C18'—H18f109.5
C3—C4—C5'130.1 (5)O5—C19—N3117.1 (1)
C10—C5—C6122.2 (8)O5—C19—C20120.6 (1)
C10—C5—C4112.8 (7)N3—C19—C20122.3 (1)
C6—C5—C4124.0 (8)C25—C20—C21119.3 (1)
C7—C6—C5118.2 (9)C25—C20—C19124.3 (1)
C7—C6—H6120.9C21—C20—C19116.2 (1)
C5—C6—H6120.9C22—C21—C20120.0 (2)
C6—C7—C8121 (1)C22—C21—H21120.0
C6—C7—H7119.7C20—C21—H21120.0
C8—C7—H7119.7C23—C22—C21120.1 (2)
C9—C8—C7119 (1)C23—C22—H22119.9
C9—C8—H8120.6C21—C22—H22119.9
C7—C8—H8120.6C22—C23—C24120.3 (2)
C8—C9—C10122 (1)C22—C23—H23119.9
C8—C9—H9119.2C24—C23—H23119.9
C10—C9—H9119.2C23—C24—C25120.2 (2)
C5—C10—C9116.5 (9)C23—C24—H24119.9
C5—C10—H10121.8C25—C24—H24119.9
C9—C10—H10121.8C24—C25—C20120.01 (16)
C10'—C5'—C6'111.9 (8)C24—C25—H25120.0
C10'—C5'—C4127.2 (9)C20—C25—H25120.0
C6'—C5'—C4119.9 (9)C27—C26—C31121.3 (1)
C7'—C6'—C5'124.6 (8)C27—C26—N3118.7 (1)
C7'—C6'—H6'117.7C31—C26—N3119.9 (1)
C5'—C6'—H6'117.7C26—C27—C28119.0 (2)
C6'—C7'—C8'119 (1)C26—C27—H27120.5
C6'—C7'—H7'120.5C28—C27—H27120.5
C8'—C7'—H7'120.5C29—C28—C27120.1 (2)
C9'—C8'—C7'119 (1)C29—C28—H28120.0
C9'—C8'—H8'120.6C27—C28—H28120.0
C7'—C8'—H8'120.6C28—C29—C30120.8 (2)
C8'—C9'—C10'119 (1)C28—C29—H29119.6
C8'—C9'—H9'120.6C30—C29—H29119.6
C10'—C9'—H9'120.6C29—C30—C31119.9 (2)
C5'—C10'—C9'125 (1)C29—C30—H30120.1
C5'—C10'—H10'117.5C31—C30—H30120.1
C9'—C10'—H10'117.5C26—C31—C30119.0 (2)
N2—C11—O3122.10 (14)C26—C31—H31120.5
N2—C11—C12119.7 (3)C30—C31—H31120.5
O3—C11—C12117.6 (3)
O1—V1—O2—C463.1 (2)N1—N2—C11—O32.6 (2)
O6—V1—O2—C4162.7 (1)N1—N2—C11—C12167.9 (4)
O3—V1—O2—C477.7 (2)N1—N2—C11—C12'175.2 (3)
N1—V1—O2—C436.6 (2)V1—O3—C11—N20.2 (2)
O5—V1—O2—C4125.6 (2)V1—O3—C11—C12170.8 (3)
O1—V1—O3—C1199.5 (1)V1—O3—C11—C12'172.6 (3)
O6—V1—O3—C11164.1 (1)N2—C11—C12—C139.1 (8)
O2—V1—O3—C1140.7 (2)O3—C11—C12—C13161.8 (5)
N1—V1—O3—C112.0 (1)C12'—C11—C12—C13105 (3)
O5—V1—O3—C1188.9 (1)N2—C11—C12—C17161.5 (7)
O6—V1—O5—C1918.7 (1)O3—C11—C12—C1727.6 (9)
O2—V1—O5—C19128.1 (1)C12'—C11—C12—C1765 (2)
O3—V1—O5—C1971.5 (1)C17—C12—C13—C145 (1)
N1—V1—O5—C19147.0 (1)C11—C12—C13—C14175.5 (5)
O1—V1—O6—N3163.1 (1)C12—C13—C14—C151.5 (8)
O2—V1—O6—N396.2 (1)C18—O4—C15—C168 (1)
O3—V1—O6—N361.0 (1)C18—O4—C15—C14177.8 (7)
N1—V1—O6—N322.2 (2)C13—C14—C15—C164 (1)
O5—V1—O6—N319.3 (1)C13—C14—C15—O4178.5 (5)
O1—V1—N1—C276.9 (2)O4—C15—C16—C17180 (1)
O6—V1—N1—C2142.8 (2)C14—C15—C16—C176 (2)
O2—V1—N1—C220.7 (1)C15—C16—C17—C123 (2)
O3—V1—N1—C2176.9 (2)C13—C12—C17—C163 (2)
O5—V1—N1—C2102.9 (2)C11—C12—C17—C16174 (1)
O1—V1—N1—N2103.5 (1)N2—C11—C12'—C13'1.6 (8)
O6—V1—N1—N236.9 (2)O3—C11—C12'—C13'171.4 (5)
O2—V1—N1—N2159.0 (1)C12—C11—C12'—C13'94 (2)
O3—V1—N1—N23.4 (1)N2—C11—C12'—C17'167.6 (7)
O5—V1—N1—N276.8 (1)O3—C11—C12'—C17'19.5 (9)
C2—N1—N2—C11176.2 (2)C12—C11—C12'—C17'75 (2)
V1—N1—N2—C114.1 (2)C17'—C12'—C13'—C14'4 (1)
V1—O6—N3—C1918.8 (2)C11—C12'—C13'—C14'172.5 (5)
V1—O6—N3—C26151.1 (1)C12'—C13'—C14'—C15'2.3 (9)
N2—N1—C2—C3178.5 (2)C18'—O4'—C15'—C14'179.5 (9)
V1—N1—C2—C31.2 (2)C18'—O4'—C15'—C16'1 (1)
N2—N1—C2—C11.5 (3)C13'—C14'—C15'—O4'178.4 (5)
V1—N1—C2—C1178.2 (2)C13'—C14'—C15'—C16'0 (1)
N1—C2—C3—C416.8 (3)O4'—C15'—C16'—C17'179 (1)
C1—C2—C3—C4160.3 (2)C14'—C15'—C16'—C17'1 (2)
V1—O2—C4—C331.6 (2)C15'—C16'—C17'—C12'0 (2)
V1—O2—C4—C5151.4 (8)C13'—C12'—C17'—C16'3 (2)
V1—O2—C4—C5'154.6 (8)C11—C12'—C17'—C16'172 (1)
C2—C3—C4—O23.2 (3)V1—O5—C19—N314.6 (2)
C2—C3—C4—C5173.9 (8)V1—O5—C19—C20165.4 (1)
C2—C3—C4—C5'169 (1)O6—N3—C19—O50.4 (2)
O2—C4—C5—C101 (2)C26—N3—C19—O5167.8 (1)
C3—C4—C5—C10176 (1)O6—N3—C19—C20179.6 (1)
C5'—C4—C5—C1014 (6)C26—N3—C19—C2012.2 (2)
O2—C4—C5—C6170 (1)O5—C19—C20—C25145.2 (2)
C3—C4—C5—C67 (2)N3—C19—C20—C2534.9 (2)
C5'—C4—C5—C6155 (8)O5—C19—C20—C2130.2 (2)
C10—C5—C6—C712 (2)N3—C19—C20—C21149.8 (1)
C4—C5—C6—C7180 (1)C25—C20—C21—C221.1 (2)
C5—C6—C7—C812 (2)C19—C20—C21—C22176.7 (2)
C6—C7—C8—C912 (2)C20—C21—C22—C231.3 (3)
C7—C8—C9—C1012 (2)C21—C22—C23—C240.4 (3)
C6—C5—C10—C912 (2)C22—C23—C24—C250.7 (3)
C4—C5—C10—C9178 (1)C23—C24—C25—C200.9 (3)
C8—C9—C10—C513 (2)C21—C20—C25—C240.1 (2)
O2—C4—C5'—C10'19 (2)C19—C20—C25—C24175.2 (2)
C3—C4—C5'—C10'168 (1)C19—N3—C26—C2766.3 (2)
C5—C4—C5'—C10'148 (8)O6—N3—C26—C27101.9 (2)
O2—C4—C5'—C6'173 (1)C19—N3—C26—C31114.2 (2)
C3—C4—C5'—C6'0 (2)O6—N3—C26—C3177.7 (2)
C5—C4—C5'—C6'20 (6)C31—C26—C27—C282.2 (3)
C10'—C5'—C6'—C7'13 (3)N3—C26—C27—C28178.2 (2)
C4—C5'—C6'—C7'177 (1)C26—C27—C28—C291.0 (3)
C5'—C6'—C7'—C8'11 (3)C27—C28—C29—C300.3 (4)
C6'—C7'—C8'—C9'8 (3)C28—C29—C30—C310.4 (3)
C7'—C8'—C9'—C10'10 (3)C27—C26—C31—C302.2 (3)
C6'—C5'—C10'—C9'15 (2)N3—C26—C31—C30178.3 (2)
C4—C5'—C10'—C9'177 (2)C29—C30—C31—C260.8 (3)
C8'—C9'—C10'—C5'14 (3)
 

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