Methoxy­oxobis(quinolin-8-olato-κ²N,O)vanadium(V)

The title compound, [V(C₉H₆NO)₂(CH₃O)O], crystallizes with two independent mol­ecules in the asymmetric unit. The V^V ion is in a distorted octa­hedral coordination environment, with the N donors of the two chelating quinolin-8-olate ligands arranged trans to the oxo and meth­oxy groups.

Key indicators

• Single-crystal X-ray study
• T = 183 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.048
• wR factor = 0.116
• Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.52 Ratio
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         12

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: COLLECT (Nonius 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: DENZO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1990); software used to prepare material for publication: XP.

Methoxyoxobis(quinolin-8-olato-κ²N,O)vanadium(V)

Crystal data

[V(C9H6NO)2(CH3O)O]	F(000) = 3168
Mr = 386.27	Dx = 1.548 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 7594 reflections
a = 48.8807 (13) Å	θ = 1.7–27.5°
b = 9.6542 (2) Å	µ = 0.63 mm^−1
c = 14.2788 (4) Å	T = 183 K
β = 100.275 (1)°	Prism, dark purple
V = 6630.2 (3) Å^3	0.03 × 0.03 × 0.02 mm
Z = 16

Data collection

Nonius KappaCCD area-detector diffractometer	5539 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.049
Graphite monochromator	θmax = 27.5°, θmin = 1.7°
φ and ω scans	h = −60→63
23067 measured reflections	k = −12→12
7592 independent reflections	l = −16→18

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.048	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.116	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0441P)^2 + 9.6255P] where P = (Fo^2 + 2Fc^2)/3
7592 reflections	(Δ/σ)max = 0.001
471 parameters	Δρmax = 0.41 e Å^−3
0 restraints	Δρmin = −0.47 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
V1	0.177903 (9)	0.06909 (4)	0.14481 (3)	0.02604 (12)
O11	0.18176 (4)	−0.04736 (17)	0.03891 (13)	0.0308 (4)
O12	0.18129 (4)	0.23869 (17)	0.21327 (12)	0.0291 (4)
O13	0.18964 (4)	−0.02977 (17)	0.23264 (13)	0.0332 (4)
O14	0.14160 (3)	0.03352 (17)	0.12937 (13)	0.0309 (4)
N11	0.21974 (4)	0.1219 (2)	0.11912 (15)	0.0268 (5)
N12	0.16475 (4)	0.23333 (19)	0.02878 (14)	0.0240 (4)
C11	0.20603 (5)	−0.0542 (3)	0.00846 (18)	0.0295 (6)
C12	0.21161 (6)	−0.1395 (3)	−0.0632 (2)	0.0408 (7)
H2AB	0.1977	−0.1997	−0.0954	0.049*
C13	0.23813 (7)	−0.1366 (4)	−0.0883 (2)	0.0506 (8)
H3AA	0.2418	−0.1967	−0.1373	0.061*
C14	0.25878 (7)	−0.0511 (3)	−0.0454 (2)	0.0480 (8)
H4AA	0.2765	−0.0531	−0.0641	0.058*
C15	0.25392 (5)	0.0403 (3)	0.0266 (2)	0.0357 (6)
C16	0.27273 (5)	0.1382 (3)	0.0744 (2)	0.0422 (7)
H6AA	0.2910	0.1441	0.0607	0.051*
C17	0.26486 (6)	0.2246 (3)	0.1401 (2)	0.0406 (7)
H7AA	0.2775	0.2916	0.1717	0.049*
C18	0.23801 (5)	0.2140 (3)	0.16068 (19)	0.0335 (6)
H8AA	0.2327	0.2752	0.2063	0.040*
C19	0.22734 (5)	0.0362 (3)	0.05217 (18)	0.0285 (5)
C110	0.17730 (5)	0.3618 (2)	0.16882 (17)	0.0257 (5)
C111	0.18267 (5)	0.4872 (3)	0.21470 (19)	0.0311 (6)
H11A	0.1902	0.4899	0.2808	0.037*
C112	0.17692 (5)	0.6112 (3)	0.1627 (2)	0.0332 (6)
H12A	0.1807	0.6969	0.1951	0.040*
C113	0.16609 (5)	0.6132 (3)	0.06760 (19)	0.0302 (6)
H13B	0.1620	0.6987	0.0352	0.036*
C114	0.16102 (5)	0.4856 (2)	0.01783 (18)	0.0256 (5)
C115	0.15043 (5)	0.4714 (3)	−0.08065 (18)	0.0281 (5)
H15A	0.1453	0.5512	−0.1187	0.034*
C116	0.14757 (5)	0.3425 (3)	−0.12079 (18)	0.0291 (5)
H16A	0.1404	0.3325	−0.1868	0.035*
C117	0.15527 (5)	0.2249 (3)	−0.06423 (18)	0.0275 (5)
H17B	0.1536	0.1362	−0.0935	0.033*
C118	0.16736 (5)	0.3617 (2)	0.06943 (17)	0.0232 (5)
C119	0.12918 (6)	−0.0854 (3)	0.1614 (2)	0.0404 (7)
H19A	0.1276	−0.1578	0.1126	0.061*
H19B	0.1106	−0.0619	0.1734	0.061*
H19C	0.1407	−0.1191	0.2203	0.061*
V2	0.073691 (9)	0.27558 (4)	0.38668 (3)	0.02928 (12)
O21	0.07362 (3)	0.15710 (17)	0.49537 (13)	0.0300 (4)
O22	0.06649 (4)	0.44205 (18)	0.31534 (13)	0.0337 (4)
O23	0.06190 (4)	0.17334 (19)	0.30042 (13)	0.0381 (5)
O24	0.11001 (4)	0.25629 (17)	0.39463 (13)	0.0321 (4)
N21	0.03208 (4)	0.3094 (2)	0.42206 (16)	0.0344 (5)
N22	0.08561 (4)	0.4463 (2)	0.49853 (15)	0.0255 (4)
C21	0.05067 (5)	0.1410 (3)	0.53294 (19)	0.0309 (6)
C22	0.04790 (6)	0.0502 (3)	0.6054 (2)	0.0387 (7)
H2BA	0.0630	−0.0075	0.6322	0.046*
C23	0.02268 (7)	0.0431 (3)	0.6396 (2)	0.0498 (8)
H3BA	0.0210	−0.0198	0.6895	0.060*
C24	0.00077 (7)	0.1233 (4)	0.6033 (2)	0.0523 (8)
H4BA	−0.0159	0.1169	0.6287	0.063*
C25	0.00217 (6)	0.2173 (3)	0.5277 (2)	0.0434 (7)
C26	−0.01922 (7)	0.2999 (4)	0.4798 (3)	0.0586 (9)
H6BA	−0.0369	0.2980	0.4983	0.070*
C27	−0.01506 (7)	0.3833 (4)	0.4067 (3)	0.0644 (10)
H7BA	−0.0299	0.4383	0.3741	0.077*
C28	0.01141 (6)	0.3879 (3)	0.3793 (2)	0.0502 (8)
H8BA	0.0143	0.4483	0.3295	0.060*
C29	0.02768 (5)	0.2249 (3)	0.49427 (19)	0.0325 (6)
C210	0.07246 (5)	0.5676 (3)	0.35519 (19)	0.0292 (6)
C211	0.06810 (6)	0.6896 (3)	0.3058 (2)	0.0355 (6)
H11B	0.0601	0.6890	0.2401	0.043*
C212	0.07562 (6)	0.8165 (3)	0.3531 (2)	0.0386 (7)
H12B	0.0727	0.9004	0.3180	0.046*
C213	0.08703 (5)	0.8221 (3)	0.4483 (2)	0.0355 (6)
H13A	0.0923	0.9086	0.4778	0.043*
C214	0.09096 (5)	0.6980 (2)	0.5020 (2)	0.0294 (6)
C215	0.10108 (5)	0.6889 (3)	0.60064 (19)	0.0317 (6)
H15B	0.1066	0.7704	0.6363	0.038*
C216	0.10290 (5)	0.5634 (3)	0.64497 (19)	0.0324 (6)
H16B	0.1094	0.5572	0.7116	0.039*
C217	0.09507 (5)	0.4432 (3)	0.59150 (18)	0.0291 (6)
H17A	0.0966	0.3563	0.6232	0.035*
C218	0.08343 (5)	0.5717 (2)	0.45433 (18)	0.0256 (5)
C219	0.12488 (6)	0.1520 (3)	0.3562 (2)	0.0485 (8)
H19D	0.1350	0.0951	0.4078	0.073*
H19E	0.1381	0.1947	0.3207	0.073*
H19F	0.1119	0.0935	0.3132	0.073*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1	0.0242 (2)	0.0208 (2)	0.0334 (2)	0.00001 (16)	0.00590 (18)	0.00228 (18)
O11	0.0264 (9)	0.0237 (9)	0.0409 (11)	−0.0018 (7)	0.0025 (8)	−0.0055 (8)
O12	0.0356 (10)	0.0247 (9)	0.0273 (9)	0.0011 (7)	0.0063 (8)	0.0004 (7)
O13	0.0338 (10)	0.0267 (9)	0.0378 (11)	0.0019 (7)	0.0027 (8)	0.0063 (8)
O14	0.0258 (9)	0.0244 (9)	0.0421 (11)	−0.0008 (7)	0.0056 (8)	0.0074 (8)
N11	0.0231 (11)	0.0264 (11)	0.0296 (11)	0.0004 (8)	0.0009 (9)	0.0045 (9)
N12	0.0220 (10)	0.0205 (10)	0.0305 (11)	−0.0016 (8)	0.0073 (8)	−0.0015 (8)
C11	0.0321 (14)	0.0261 (13)	0.0300 (13)	0.0064 (10)	0.0045 (11)	0.0028 (11)
C12	0.0479 (18)	0.0361 (16)	0.0371 (16)	0.0085 (13)	0.0039 (13)	−0.0022 (13)
C13	0.063 (2)	0.055 (2)	0.0376 (17)	0.0225 (17)	0.0185 (15)	−0.0004 (15)
C14	0.0445 (18)	0.057 (2)	0.0476 (18)	0.0176 (15)	0.0225 (15)	0.0124 (16)
C15	0.0264 (14)	0.0412 (16)	0.0397 (16)	0.0105 (11)	0.0068 (12)	0.0155 (12)
C16	0.0198 (13)	0.0503 (18)	0.0556 (19)	0.0021 (12)	0.0047 (13)	0.0241 (15)
C17	0.0270 (14)	0.0407 (16)	0.0488 (18)	−0.0066 (12)	−0.0079 (13)	0.0133 (14)
C18	0.0292 (14)	0.0309 (14)	0.0370 (15)	−0.0051 (11)	−0.0029 (11)	0.0043 (12)
C19	0.0266 (13)	0.0279 (13)	0.0302 (14)	0.0054 (10)	0.0033 (10)	0.0070 (11)
C110	0.0235 (12)	0.0243 (12)	0.0309 (13)	0.0011 (9)	0.0087 (10)	−0.0011 (10)
C111	0.0315 (14)	0.0315 (14)	0.0309 (14)	−0.0004 (11)	0.0069 (11)	−0.0077 (11)
C112	0.0353 (15)	0.0203 (12)	0.0453 (17)	−0.0015 (10)	0.0110 (13)	−0.0103 (11)
C113	0.0325 (14)	0.0193 (12)	0.0409 (16)	0.0029 (10)	0.0118 (12)	0.0016 (11)
C114	0.0205 (12)	0.0238 (12)	0.0340 (14)	0.0026 (9)	0.0095 (10)	0.0008 (10)
C115	0.0259 (13)	0.0259 (13)	0.0333 (14)	0.0048 (10)	0.0078 (11)	0.0076 (11)
C116	0.0268 (13)	0.0314 (14)	0.0287 (13)	−0.0003 (10)	0.0045 (10)	0.0006 (11)
C117	0.0263 (13)	0.0236 (12)	0.0327 (14)	−0.0036 (10)	0.0056 (11)	−0.0021 (11)
C118	0.0209 (12)	0.0209 (12)	0.0291 (13)	−0.0006 (9)	0.0085 (10)	−0.0005 (10)
C119	0.0368 (16)	0.0319 (15)	0.0534 (19)	−0.0058 (12)	0.0102 (14)	0.0077 (13)
V2	0.0297 (2)	0.0228 (2)	0.0370 (3)	−0.00047 (17)	0.01062 (19)	−0.00447 (19)
O21	0.0239 (9)	0.0244 (9)	0.0428 (10)	−0.0009 (7)	0.0091 (8)	0.0009 (8)
O22	0.0414 (11)	0.0277 (9)	0.0324 (10)	0.0006 (8)	0.0075 (8)	−0.0030 (8)
O23	0.0408 (11)	0.0308 (10)	0.0422 (11)	−0.0028 (8)	0.0055 (9)	−0.0082 (8)
O24	0.0280 (9)	0.0255 (9)	0.0456 (11)	−0.0008 (7)	0.0139 (8)	−0.0070 (8)
N21	0.0252 (11)	0.0336 (12)	0.0427 (13)	0.0048 (9)	0.0019 (10)	−0.0036 (10)
N22	0.0213 (10)	0.0238 (11)	0.0328 (12)	0.0008 (8)	0.0088 (9)	−0.0003 (9)
C21	0.0263 (13)	0.0303 (14)	0.0361 (15)	−0.0060 (10)	0.0053 (11)	−0.0068 (11)
C22	0.0354 (15)	0.0417 (16)	0.0388 (16)	−0.0075 (12)	0.0057 (12)	0.0003 (13)
C23	0.0470 (19)	0.059 (2)	0.0445 (18)	−0.0113 (15)	0.0112 (15)	0.0048 (15)
C24	0.0453 (19)	0.064 (2)	0.054 (2)	−0.0121 (16)	0.0269 (16)	−0.0049 (17)
C25	0.0257 (14)	0.0493 (18)	0.0565 (19)	0.0000 (12)	0.0108 (13)	−0.0091 (15)
C26	0.0302 (17)	0.070 (2)	0.078 (3)	0.0051 (15)	0.0174 (17)	0.002 (2)
C27	0.0279 (17)	0.070 (2)	0.092 (3)	0.0201 (16)	0.0019 (17)	0.009 (2)
C28	0.0361 (17)	0.0529 (19)	0.060 (2)	0.0083 (14)	0.0045 (15)	0.0080 (16)
C29	0.0284 (14)	0.0329 (14)	0.0372 (15)	−0.0042 (11)	0.0087 (11)	−0.0063 (12)
C210	0.0286 (13)	0.0265 (13)	0.0343 (14)	0.0027 (10)	0.0103 (11)	0.0008 (11)
C211	0.0348 (15)	0.0331 (15)	0.0390 (16)	0.0048 (11)	0.0074 (12)	0.0031 (12)
C212	0.0339 (15)	0.0271 (14)	0.0577 (19)	0.0039 (11)	0.0160 (13)	0.0105 (13)
C213	0.0290 (14)	0.0233 (13)	0.0568 (19)	0.0008 (10)	0.0148 (13)	−0.0036 (12)
C214	0.0222 (12)	0.0240 (13)	0.0449 (16)	−0.0010 (9)	0.0138 (11)	−0.0036 (11)
C215	0.0245 (13)	0.0313 (14)	0.0408 (15)	−0.0039 (10)	0.0098 (11)	−0.0128 (12)
C216	0.0266 (13)	0.0396 (15)	0.0313 (14)	−0.0032 (11)	0.0062 (11)	−0.0064 (12)
C217	0.0272 (13)	0.0282 (13)	0.0332 (14)	0.0001 (10)	0.0092 (11)	0.0008 (11)
C218	0.0200 (12)	0.0244 (12)	0.0344 (14)	0.0005 (9)	0.0100 (10)	−0.0039 (11)
C219	0.0451 (18)	0.0411 (17)	0.062 (2)	0.0076 (14)	0.0168 (15)	−0.0104 (15)

Geometric parameters (Å, º)

V1—O13	1.5989 (17)	V2—O23	1.6031 (18)
V1—O14	1.7819 (17)	V2—O24	1.7683 (17)
V1—O12	1.8989 (17)	V2—O22	1.9017 (18)
V1—O11	1.9204 (18)	V2—O21	1.9284 (18)
V1—N11	2.201 (2)	V2—N21	2.206 (2)
V1—N12	2.301 (2)	V2—N22	2.296 (2)
O11—C11	1.336 (3)	O21—C21	1.336 (3)
O12—C110	1.345 (3)	O22—C210	1.348 (3)
O14—C119	1.413 (3)	O24—C219	1.410 (3)
N11—C18	1.323 (3)	N21—C28	1.322 (4)
N11—C19	1.365 (3)	N21—C29	1.362 (4)
N12—C117	1.329 (3)	N22—C217	1.326 (3)
N12—C118	1.365 (3)	N22—C218	1.361 (3)
C11—C12	1.378 (4)	C21—C22	1.381 (4)
C11—C19	1.416 (4)	C21—C29	1.415 (4)
C12—C13	1.406 (4)	C22—C23	1.406 (4)
C12—H2AB	0.9500	C22—H2BA	0.9500
C13—C14	1.362 (5)	C23—C24	1.348 (5)
C13—H3AA	0.9500	C23—H3BA	0.9500
C14—C15	1.407 (4)	C24—C25	1.422 (4)
C14—H4AA	0.9500	C24—H4BA	0.9500
C15—C16	1.407 (4)	C25—C26	1.394 (4)
C15—C19	1.411 (4)	C25—C29	1.414 (4)
C16—C17	1.361 (4)	C26—C27	1.361 (5)
C16—H6AA	0.9500	C26—H6BA	0.9500
C17—C18	1.398 (4)	C27—C28	1.418 (5)
C17—H7AA	0.9500	C27—H7BA	0.9500
C18—H8AA	0.9500	C28—H8BA	0.9500
C110—C111	1.379 (3)	C210—C211	1.370 (4)
C110—C118	1.416 (3)	C210—C218	1.422 (4)
C111—C112	1.411 (4)	C211—C212	1.416 (4)
C111—H11A	0.9500	C211—H11B	0.9500
C112—C113	1.367 (4)	C212—C213	1.374 (4)
C112—H12A	0.9500	C212—H12B	0.9500
C113—C114	1.422 (3)	C213—C214	1.418 (4)
C113—H13B	0.9500	C213—H13A	0.9500
C114—C118	1.410 (3)	C214—C215	1.410 (4)
C114—C115	1.416 (3)	C214—C218	1.412 (3)
C115—C116	1.366 (3)	C215—C216	1.363 (4)
C115—H15A	0.9500	C215—H15B	0.9500
C116—C117	1.406 (3)	C216—C217	1.404 (3)
C116—H16A	0.9500	C216—H16B	0.9500
C117—H17B	0.9500	C217—H17A	0.9500
C119—H19A	0.9800	C219—H19D	0.9800
C119—H19B	0.9800	C219—H19E	0.9800
C119—H19C	0.9800	C219—H19F	0.9800
O13—V1—O14	101.08 (9)	O23—V2—O24	101.74 (9)
O13—V1—O12	97.17 (8)	O23—V2—O22	95.85 (9)
O14—V1—O12	102.91 (8)	O24—V2—O22	102.20 (8)
O13—V1—O11	101.32 (8)	O23—V2—O21	101.60 (9)
O14—V1—O11	91.45 (8)	O24—V2—O21	91.82 (8)
O12—V1—O11	153.93 (8)	O22—V2—O21	154.90 (8)
O13—V1—N11	93.15 (8)	O23—V2—N21	92.72 (9)
O14—V1—N11	163.40 (8)	O24—V2—N21	163.14 (9)
O12—V1—N11	83.54 (8)	O22—V2—N21	84.68 (8)
O11—V1—N11	77.28 (8)	O21—V2—N21	76.67 (8)
O13—V1—N12	172.49 (8)	O23—V2—N22	171.10 (9)
O14—V1—N12	84.24 (7)	O24—V2—N22	84.47 (7)
O12—V1—N12	76.35 (7)	O22—V2—N22	76.46 (7)
O11—V1—N12	83.71 (7)	O21—V2—N22	84.41 (7)
N11—V1—N12	82.46 (7)	N21—V2—N22	82.21 (8)
C11—O11—V1	120.20 (15)	C21—O21—V2	120.95 (16)
C110—O12—V1	121.80 (15)	C210—O22—V2	121.87 (16)
C119—O14—V1	126.36 (16)	C219—O24—V2	129.19 (18)
C18—N11—C19	118.3 (2)	C28—N21—C29	118.8 (3)
C18—N11—V1	130.85 (19)	C28—N21—V2	129.7 (2)
C19—N11—V1	110.68 (16)	C29—N21—V2	111.17 (16)
C117—N12—C118	118.1 (2)	C217—N22—C218	117.9 (2)
C117—N12—V1	132.87 (16)	C217—N22—V2	132.87 (17)
C118—N12—V1	109.06 (15)	C218—N22—V2	109.08 (16)
O11—C11—C12	125.2 (2)	O21—C21—C22	125.2 (2)
O11—C11—C19	116.9 (2)	O21—C21—C29	116.2 (2)
C12—C11—C19	117.9 (3)	C22—C21—C29	118.6 (2)
C11—C12—C13	119.4 (3)	C21—C22—C23	120.0 (3)
C11—C12—H2AB	120.3	C21—C22—H2BA	120.0
C13—C12—H2AB	120.3	C23—C22—H2BA	120.0
C14—C13—C12	122.7 (3)	C24—C23—C22	121.6 (3)
C14—C13—H3AA	118.6	C24—C23—H3BA	119.2
C12—C13—H3AA	118.6	C22—C23—H3BA	119.2
C13—C14—C15	120.1 (3)	C23—C24—C25	121.0 (3)
C13—C14—H4AA	120.0	C23—C24—H4BA	119.5
C15—C14—H4AA	120.0	C25—C24—H4BA	119.5
C16—C15—C14	126.5 (3)	C26—C25—C29	115.7 (3)
C16—C15—C19	116.5 (3)	C26—C25—C24	127.2 (3)
C14—C15—C19	117.0 (3)	C29—C25—C24	117.0 (3)
C17—C16—C15	120.3 (3)	C27—C26—C25	120.9 (3)
C17—C16—H6AA	119.8	C27—C26—H6BA	119.6
C15—C16—H6AA	119.8	C25—C26—H6BA	119.6
C16—C17—C18	119.4 (3)	C26—C27—C28	119.9 (3)
C16—C17—H7AA	120.3	C26—C27—H7BA	120.0
C18—C17—H7AA	120.3	C28—C27—H7BA	120.0
N11—C18—C17	122.6 (3)	N21—C28—C27	121.0 (3)
N11—C18—H8AA	118.7	N21—C28—H8BA	119.5
C17—C18—H8AA	118.7	C27—C28—H8BA	119.5
N11—C19—C15	122.8 (2)	N21—C29—C25	123.7 (3)
N11—C19—C11	114.3 (2)	N21—C29—C21	114.6 (2)
C15—C19—C11	122.8 (2)	C25—C29—C21	121.7 (3)
O12—C110—C111	123.5 (2)	O22—C210—C211	123.6 (2)
O12—C110—C118	117.9 (2)	O22—C210—C218	117.4 (2)
C111—C110—C118	118.6 (2)	C211—C210—C218	119.0 (2)
C110—C111—C112	119.5 (2)	C210—C211—C212	119.7 (3)
C110—C111—H11A	120.3	C210—C211—H11B	120.2
C112—C111—H11A	120.3	C212—C211—H11B	120.2
C113—C112—C111	122.7 (2)	C213—C212—C211	122.1 (3)
C113—C112—H12A	118.7	C213—C212—H12B	119.0
C111—C112—H12A	118.7	C211—C212—H12B	119.0
C112—C113—C114	119.1 (2)	C212—C213—C214	119.6 (2)
C112—C113—H13B	120.4	C212—C213—H13A	120.2
C114—C113—H13B	120.4	C214—C213—H13A	120.2
C118—C114—C115	116.4 (2)	C215—C214—C218	116.3 (2)
C118—C114—C113	118.1 (2)	C215—C214—C213	125.6 (2)
C115—C114—C113	125.5 (2)	C218—C214—C213	118.0 (2)
C116—C115—C114	119.8 (2)	C216—C215—C214	120.1 (2)
C116—C115—H15A	120.1	C216—C215—H15B	120.0
C114—C115—H15A	120.1	C214—C215—H15B	120.0
C115—C116—C117	119.9 (2)	C215—C216—C217	119.6 (2)
C115—C116—H16A	120.1	C215—C216—H16B	120.2
C117—C116—H16A	120.1	C217—C216—H16B	120.2
N12—C117—C116	122.3 (2)	N22—C217—C216	122.6 (2)
N12—C117—H17B	118.8	N22—C217—H17A	118.7
C116—C117—H17B	118.8	C216—C217—H17A	118.7
N12—C118—C114	123.6 (2)	N22—C218—C214	123.5 (2)
N12—C118—C110	114.6 (2)	N22—C218—C210	114.9 (2)
C114—C118—C110	121.8 (2)	C214—C218—C210	121.6 (2)
O14—C119—H19A	109.5	O24—C219—H19D	109.5
O14—C119—H19B	109.5	O24—C219—H19E	109.5
H19A—C119—H19B	109.5	H19D—C219—H19E	109.5
O14—C119—H19C	109.5	O24—C219—H19F	109.5
H19A—C119—H19C	109.5	H19D—C219—H19F	109.5
H19B—C119—H19C	109.5	H19E—C219—H19F	109.5