(Nitrato-κO)oxido(5,10,15,20-tetra-phenyl-porphyrinato-κN)molybdenum(V) benzene solvate.

In the title compound, [Mo(C(44)H(28)N(4))(NO(3))O]·C(6)H(6), the porphyrin ring is centrosymmetric. The Mo atom, oxide ion and nitrate ion are equally disordered over two sites, such that the Mo atom is displaced by 0.366 (1) Å towards the oxide ion from the 24-atom mean plane of the porphyrin, and also makes a long Mo-O bond to a nitrate O atom. A centrosymmetric benzene solvent mol-ecule is situated between adjacent porphyrin mol-ecules.

Related literature

For the structure of (TPP)Mo(O)(ONO2) (TPP is the tetraphenylporphyrinate dianion) with CH2Cl2 as the solvate, see: Okubo et al. (1999 ▶). For the crystal structures of related molybdenum(V)-oxo porphyrin complexes, see: Harada et al. (2004 ▶); Kim et al. (1987 ▶); Hamstra et al. (1999 ▶); Fujihara et al. (2002 ▶); Ledon & Mentzen (1978 ▶); Liu et al. (2001 ▶); Imamura & Furusaki (1990 ▶); Cheng & Scheidt (1996 ▶).

Experimental

Crystal data

[Mo(C44H28N4)(NO3)O]·C6H6

M = 864.76

Triclinic,

a = 8.6846 (14) Å

b = 11.2895 (18) Å

c = 11.7180 (18) Å

α = 61.617 (5)°

β = 79.283 (6)°

γ = 76.354 (6)°

V = 978.6 (3) Å3

Z = 1

Mo Kα radiation

μ = 0.39 mm−1

T = 120 (2) K

0.16 × 0.08 × 0.02 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2007 ▶) T min = 0.938, T max = 0.994

10263 measured reflections

3836 independent reflections

3395 reflections with I > 2σ(I)

R int = 0.023

Refinement

R[F 2 > 2σ(F 2)] = 0.049

wR(F 2) = 0.108

S = 1.16

3836 reflections

298 parameters

3 restraints

H-atom parameters constrained

Δρmax = 0.43 e Å−3

Δρmin = −0.47 e Å−3

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808030705/hb2799sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808030705/hb2799Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Mo(C44H28N4)(NO3)O]·C6H6	Z = 1
Mr = 864.76	F(000) = 443
Triclinic, P1	Dx = 1.467 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.6846 (14) Å	Cell parameters from 7414 reflections
b = 11.2895 (18) Å	θ = 3.2–26.3°
c = 11.7180 (18) Å	µ = 0.39 mm−1
α = 61.617 (5)°	T = 120 K
β = 79.283 (6)°	Prism, green
γ = 76.354 (6)°	0.16 × 0.08 × 0.02 mm
V = 978.6 (3) Å3

Bruker SMART APEX CCD diffractometer	3836 independent reflections
Radiation source: fine-focus sealed tube	3395 reflections with I > 2σ(I)
graphite	Rint = 0.023
ω scans	θmax = 26.0°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 2007)	h = −10→10
Tmin = 0.938, Tmax = 0.994	k = −13→13
10263 measured reflections	l = −14→14

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) = 0.108	H-atom parameters constrained
S = 1.16	w = 1/[σ2(Fo2) + (0.032P)2 + P] where P = (Fo2 + 2Fc2)/3
3836 reflections	(Δ/σ)max < 0.001
298 parameters	Δρmax = 0.43 e Å−3
3 restraints	Δρmin = −0.47 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)
Mo1	0.47549 (6)	0.53402 (4)	0.48115 (5)	0.02365 (15)	0.50
O1	0.354 (3)	0.668 (2)	0.380 (2)	0.031 (3)	0.50
O2	0.652 (3)	0.356 (2)	0.598 (2)	0.035 (3)	0.50
N3	0.6402 (5)	0.2554 (5)	0.7138 (5)	0.0285 (10)	0.50
O4	0.5111 (4)	0.2409 (4)	0.7791 (4)	0.0340 (9)	0.50
O3	0.7618 (5)	0.1698 (4)	0.7537 (4)	0.0369 (9)	0.50
N1	0.3480 (3)	0.3743 (2)	0.5196 (2)	0.0283 (5)
N2	0.6227 (2)	0.4736 (2)	0.3433 (2)	0.0275 (5)
C1	0.2198 (3)	0.3414 (3)	0.6109 (3)	0.0289 (6)
C2	0.1423 (3)	0.2553 (3)	0.5895 (3)	0.0335 (6)
H2	0.0503	0.2181	0.6382	0.040*
C3	0.2241 (3)	0.2368 (3)	0.4875 (3)	0.0323 (6)
H3	0.1994	0.1845	0.4516	0.039*
C4	0.3545 (3)	0.3100 (3)	0.4433 (2)	0.0272 (6)
C5	0.4674 (3)	0.3184 (3)	0.3386 (2)	0.0275 (6)
C6	0.5898 (3)	0.3952 (3)	0.2919 (2)	0.0275 (6)
C7	0.7039 (3)	0.4052 (3)	0.1842 (3)	0.0310 (6)
H7	0.7085	0.3621	0.1307	0.037*
C8	0.8043 (3)	0.4869 (3)	0.1715 (3)	0.0314 (6)
H8	0.8924	0.5105	0.1083	0.038*
C9	0.7534 (3)	0.5311 (3)	0.2710 (3)	0.0294 (6)
C10	0.8261 (3)	0.6181 (3)	0.2904 (3)	0.0288 (6)
C11	0.4563 (3)	0.2361 (3)	0.2711 (3)	0.0287 (6)
C12	0.3794 (4)	0.2953 (3)	0.1587 (3)	0.0498 (9)
H12	0.3345	0.3897	0.1219	0.060*
C13	0.3678 (5)	0.2168 (3)	0.0993 (3)	0.0553 (10)
H13	0.3158	0.2583	0.0214	0.066*
C14	0.4304 (4)	0.0806 (3)	0.1518 (3)	0.0380 (7)
H14	0.4194	0.0271	0.1121	0.046*
C15	0.5086 (3)	0.0221 (3)	0.2614 (3)	0.0354 (6)
H15	0.5536	−0.0722	0.2976	0.042*
C16	0.5226 (3)	0.1001 (3)	0.3206 (3)	0.0326 (6)
H16	0.5789	0.0588	0.3962	0.039*
C17	0.9593 (3)	0.6766 (3)	0.1930 (3)	0.0300 (6)
C18	1.1139 (4)	0.6125 (3)	0.2087 (3)	0.0480 (8)
H18	1.1393	0.5289	0.2842	0.058*
C19	1.2343 (4)	0.6692 (4)	0.1146 (4)	0.0599 (10)
H19	1.3417	0.6248	0.1263	0.072*
C20	1.1979 (4)	0.7891 (4)	0.0050 (3)	0.0495 (9)
H20	1.2803	0.8280	−0.0590	0.059*
C21	1.0445 (4)	0.8521 (3)	−0.0122 (3)	0.0480 (8)
H21	1.0194	0.9340	−0.0892	0.058*
C22	0.9241 (4)	0.7975 (3)	0.0823 (3)	0.0412 (7)
H22	0.8172	0.8433	0.0707	0.049*
C26	0.0430 (5)	−0.0977 (4)	0.6200 (4)	0.0581 (10)
H26	0.0726	−0.1658	0.7037	0.070*
C27	−0.0779 (4)	0.0081 (4)	0.6088 (4)	0.0515 (9)
H27	−0.1319	0.0135	0.6850	0.062*
C28	−0.1220 (4)	0.1060 (4)	0.4897 (4)	0.0566 (9)
H28	−0.2066	0.1794	0.4823	0.068*

	U11	U22	U33	U12	U13	U23
Mo1	0.0272 (3)	0.0225 (3)	0.0250 (3)	−0.0065 (2)	0.0001 (2)	−0.0135 (3)
O1	0.043 (4)	0.030 (6)	0.011 (5)	−0.001 (4)	0.002 (3)	−0.006 (5)
O2	0.035 (4)	0.038 (6)	0.026 (8)	−0.004 (4)	−0.008 (5)	−0.008 (5)
N3	0.024 (2)	0.033 (3)	0.039 (3)	−0.005 (2)	0.002 (2)	−0.026 (3)
O4	0.035 (2)	0.028 (2)	0.037 (2)	−0.0094 (16)	0.0041 (17)	−0.0134 (18)
O3	0.036 (2)	0.029 (2)	0.044 (2)	−0.0025 (17)	−0.0056 (18)	−0.0156 (19)
N1	0.0291 (12)	0.0361 (13)	0.0240 (11)	−0.0124 (10)	0.0033 (9)	−0.0160 (10)
N2	0.0271 (12)	0.0343 (13)	0.0255 (11)	−0.0119 (9)	0.0022 (9)	−0.0156 (10)
C1	0.0284 (14)	0.0314 (14)	0.0267 (14)	−0.0088 (11)	0.0002 (11)	−0.0123 (12)
C2	0.0318 (15)	0.0360 (16)	0.0354 (16)	−0.0125 (12)	0.0014 (12)	−0.0167 (13)
C3	0.0351 (15)	0.0309 (15)	0.0348 (15)	−0.0095 (12)	−0.0004 (12)	−0.0172 (13)
C4	0.0297 (14)	0.0276 (14)	0.0252 (13)	−0.0069 (11)	−0.0018 (11)	−0.0120 (11)
C5	0.0311 (14)	0.0268 (14)	0.0251 (13)	−0.0055 (11)	−0.0026 (11)	−0.0117 (11)
C6	0.0306 (14)	0.0264 (14)	0.0237 (13)	−0.0040 (11)	−0.0020 (11)	−0.0102 (11)
C7	0.0389 (16)	0.0281 (14)	0.0264 (14)	−0.0062 (12)	0.0014 (12)	−0.0140 (12)
C8	0.0344 (15)	0.0308 (15)	0.0267 (14)	−0.0086 (12)	0.0042 (11)	−0.0122 (12)
C9	0.0301 (14)	0.0334 (15)	0.0252 (14)	−0.0080 (11)	0.0008 (11)	−0.0135 (12)
C10	0.0268 (14)	0.0320 (14)	0.0267 (14)	−0.0079 (11)	0.0017 (11)	−0.0125 (12)
C11	0.0310 (14)	0.0313 (14)	0.0266 (14)	−0.0109 (11)	0.0038 (11)	−0.0149 (12)
C12	0.075 (2)	0.0312 (16)	0.0470 (19)	0.0034 (16)	−0.0252 (17)	−0.0198 (15)
C13	0.083 (3)	0.0436 (19)	0.047 (2)	0.0021 (18)	−0.0304 (19)	−0.0239 (17)
C14	0.0465 (18)	0.0402 (17)	0.0360 (16)	−0.0147 (14)	0.0011 (13)	−0.0224 (14)
C15	0.0397 (16)	0.0299 (15)	0.0363 (16)	−0.0106 (12)	0.0029 (13)	−0.0148 (13)
C16	0.0373 (16)	0.0329 (15)	0.0275 (14)	−0.0085 (12)	−0.0033 (12)	−0.0123 (12)
C17	0.0328 (15)	0.0342 (15)	0.0290 (14)	−0.0126 (12)	0.0038 (11)	−0.0183 (12)
C18	0.0372 (18)	0.0411 (18)	0.049 (2)	−0.0083 (14)	0.0055 (14)	−0.0095 (15)
C19	0.0358 (19)	0.058 (2)	0.072 (3)	−0.0119 (16)	0.0178 (17)	−0.025 (2)
C20	0.061 (2)	0.048 (2)	0.048 (2)	−0.0306 (17)	0.0262 (17)	−0.0293 (17)
C21	0.069 (2)	0.0421 (18)	0.0316 (17)	−0.0245 (17)	0.0027 (15)	−0.0112 (14)
C22	0.0448 (18)	0.0402 (17)	0.0358 (17)	−0.0139 (14)	−0.0026 (14)	−0.0122 (14)
C26	0.064 (2)	0.046 (2)	0.056 (2)	−0.0140 (18)	−0.0220 (19)	−0.0079 (17)
C27	0.0438 (19)	0.062 (2)	0.057 (2)	−0.0220 (17)	−0.0022 (16)	−0.0294 (19)
C28	0.047 (2)	0.046 (2)	0.082 (3)	0.0000 (16)	−0.0212 (19)	−0.031 (2)

Mo1—O1	1.678 (9)	C10—C17	1.493 (4)
Mo1—N1i	2.039 (2)	C11—C16	1.373 (4)
Mo1—N2i	2.044 (2)	C11—C12	1.380 (4)
Mo1—N2	2.139 (2)	C12—C13	1.391 (4)
Mo1—N1	2.159 (2)	C12—H12	0.9500
Mo1—O2	2.227 (9)	C13—C14	1.367 (4)
O2—N3	1.30 (2)	C13—H13	0.9500
N3—O4	1.232 (6)	C14—C15	1.361 (4)
N3—O3	1.241 (6)	C14—H14	0.9500
N1—C1	1.377 (3)	C15—C16	1.391 (4)
N1—C4	1.382 (3)	C15—H15	0.9500
N1—Mo1i	2.039 (2)	C16—H16	0.9500
N2—C9	1.377 (3)	C17—C18	1.366 (4)
N2—C6	1.385 (3)	C17—C22	1.381 (4)
N2—Mo1i	2.044 (2)	C18—C19	1.391 (4)
C1—C10i	1.398 (4)	C18—H18	0.9500
C1—C2	1.436 (4)	C19—C20	1.370 (5)
C2—C3	1.352 (4)	C19—H19	0.9500
C2—H2	0.9500	C20—C21	1.356 (5)
C3—C4	1.432 (4)	C20—H20	0.9500
C3—H3	0.9500	C21—C22	1.387 (4)
C4—C5	1.400 (4)	C21—H21	0.9500
C5—C6	1.395 (4)	C22—H22	0.9500
C5—C11	1.507 (3)	C26—C27	1.363 (5)
C6—C7	1.428 (4)	C26—C28ii	1.374 (5)
C7—C8	1.354 (4)	C26—H26	0.9500
C7—H7	0.9500	C27—C28	1.360 (5)
C8—C9	1.436 (4)	C27—H27	0.9500
C8—H8	0.9500	C28—C26ii	1.374 (5)
C9—C10	1.404 (4)	C28—H28	0.9500
C10—C1i	1.398 (4)
O1—Mo1—N1i	101.6 (11)	C9—C8—H8	126.2
O1—Mo1—N2i	100.8 (9)	N2—C9—C10	126.3 (2)
N1i—Mo1—N2i	90.76 (8)	N2—C9—C8	108.4 (2)
O1—Mo1—N2	99.3 (8)	C10—C9—C8	125.3 (2)
N1i—Mo1—N2	88.93 (8)	C1i—C10—C9	125.7 (2)
N2i—Mo1—N2	159.56 (3)	C1i—C10—C17	117.6 (2)
O1—Mo1—N1	98.5 (11)	C9—C10—C17	116.7 (2)
N1i—Mo1—N1	159.74 (3)	C16—C11—C12	118.7 (3)
N2i—Mo1—N1	88.23 (8)	C16—C11—C5	120.4 (2)
N2—Mo1—N1	85.07 (8)	C12—C11—C5	120.9 (2)
O1—Mo1—O2	174.4 (16)	C11—C12—C13	120.0 (3)
N1i—Mo1—O2	77.5 (8)	C11—C12—H12	120.0
N2i—Mo1—O2	84.8 (7)	C13—C12—H12	120.0
N2—Mo1—O2	75.2 (7)	C14—C13—C12	120.6 (3)
N1—Mo1—O2	82.2 (8)	C14—C13—H13	119.7
N3—O2—Mo1	132.5 (17)	C12—C13—H13	119.7
O4—N3—O3	121.0 (5)	C15—C14—C13	119.6 (3)
O4—N3—O2	121.1 (11)	C15—C14—H14	120.2
O3—N3—O2	117.8 (10)	C13—C14—H14	120.2
C1—N1—C4	107.7 (2)	C14—C15—C16	120.1 (3)
C1—N1—Mo1i	126.60 (17)	C14—C15—H15	119.9
C4—N1—Mo1i	124.54 (17)	C16—C15—H15	119.9
C1—N1—Mo1	123.63 (17)	C11—C16—C15	120.8 (3)
C4—N1—Mo1	127.31 (17)	C11—C16—H16	119.6
C9—N2—C6	107.7 (2)	C15—C16—H16	119.6
C9—N2—Mo1i	126.73 (17)	C18—C17—C22	119.2 (3)
C6—N2—Mo1i	124.14 (17)	C18—C17—C10	122.1 (3)
C9—N2—Mo1	123.49 (17)	C22—C17—C10	118.7 (3)
C6—N2—Mo1	127.58 (17)	C17—C18—C19	120.3 (3)
N1—C1—C10i	126.1 (2)	C17—C18—H18	119.9
N1—C1—C2	108.4 (2)	C19—C18—H18	119.9
C10i—C1—C2	125.4 (2)	C20—C19—C18	120.0 (3)
C3—C2—C1	107.7 (2)	C20—C19—H19	120.0
C3—C2—H2	126.2	C18—C19—H19	120.0
C1—C2—H2	126.2	C21—C20—C19	120.0 (3)
C2—C3—C4	107.9 (2)	C21—C20—H20	120.0
C2—C3—H3	126.0	C19—C20—H20	120.0
C4—C3—H3	126.0	C20—C21—C22	120.3 (3)
N1—C4—C5	125.5 (2)	C20—C21—H21	119.9
N1—C4—C3	108.3 (2)	C22—C21—H21	119.9
C5—C4—C3	126.2 (2)	C17—C22—C21	120.2 (3)
C6—C5—C4	126.0 (2)	C17—C22—H22	119.9
C6—C5—C11	117.1 (2)	C21—C22—H22	119.9
C4—C5—C11	116.9 (2)	C27—C26—C28ii	120.0 (3)
N2—C6—C5	125.8 (2)	C27—C26—H26	120.0
N2—C6—C7	108.2 (2)	C28ii—C26—H26	120.0
C5—C6—C7	126.0 (2)	C28—C27—C26	120.6 (4)
C8—C7—C6	108.1 (2)	C28—C27—H27	119.7
C8—C7—H7	125.9	C26—C27—H27	119.7
C6—C7—H7	125.9	C27—C28—C26ii	119.3 (3)
C7—C8—C9	107.5 (2)	C27—C28—H28	120.3
C7—C8—H8	126.2	C26ii—C28—H28	120.3
N1i—Mo1—O2—N3	126 (3)	C3—C4—C5—C6	176.7 (3)
N2i—Mo1—O2—N3	34 (2)	N1—C4—C5—C11	178.0 (2)
N2—Mo1—O2—N3	−142 (3)	C3—C4—C5—C11	−3.8 (4)
N1—Mo1—O2—N3	−55 (2)	C9—N2—C6—C5	179.1 (2)
Mo1—O2—N3—O4	4(3)	Mo1i—N2—C6—C5	11.8 (4)
Mo1—O2—N3—O3	179.8 (15)	Mo1—N2—C6—C5	−13.2 (4)
O1—Mo1—N1—C1	−82.6 (9)	C9—N2—C6—C7	−0.2 (3)
N1i—Mo1—N1—C1	105.4 (2)	Mo1i—N2—C6—C7	−167.48 (17)
N2i—Mo1—N1—C1	18.0 (2)	Mo1—N2—C6—C7	167.58 (17)
N2—Mo1—N1—C1	178.7 (2)	C4—C5—C6—N2	1.7 (4)
O2—Mo1—N1—C1	103.0 (7)	C11—C5—C6—N2	−177.8 (2)
O1—Mo1—N1—C4	82.4 (9)	C4—C5—C6—C7	−179.2 (3)
N1i—Mo1—N1—C4	−89.6 (2)	C11—C5—C6—C7	1.3 (4)
N2i—Mo1—N1—C4	−177.0 (2)	N2—C6—C7—C8	0.5 (3)
N2—Mo1—N1—C4	−16.4 (2)	C5—C6—C7—C8	−178.7 (3)
O2—Mo1—N1—C4	−92.0 (7)	C6—C7—C8—C9	−0.7 (3)
O1—Mo1—N1—Mo1i	172.0 (9)	C6—N2—C9—C10	179.9 (3)
N1i—Mo1—N1—Mo1i	0.0	Mo1i—N2—C9—C10	−13.2 (4)
N2i—Mo1—N1—Mo1i	−87.39 (11)	Mo1—N2—C9—C10	11.6 (4)
N2—Mo1—N1—Mo1i	73.28 (10)	C6—N2—C9—C8	−0.2 (3)
O2—Mo1—N1—Mo1i	−2.4 (7)	Mo1i—N2—C9—C8	166.65 (18)
O1—Mo1—N2—C9	84.7 (11)	Mo1—N2—C9—C8	−168.61 (17)
N1i—Mo1—N2—C9	−16.9 (2)	C7—C8—C9—N2	0.6 (3)
N2i—Mo1—N2—C9	−106.2 (2)	C7—C8—C9—C10	−179.6 (3)
N1—Mo1—N2—C9	−177.5 (2)	N2—C9—C10—C1i	1.8 (4)
O2—Mo1—N2—C9	−94.2 (8)	C8—C9—C10—C1i	−178.0 (3)
O1—Mo1—N2—C6	−81.3 (11)	N2—C9—C10—C17	−175.5 (2)
N1i—Mo1—N2—C6	177.2 (2)	C8—C9—C10—C17	4.8 (4)
N2i—Mo1—N2—C6	87.9 (2)	C6—C5—C11—C16	96.5 (3)
N1—Mo1—N2—C6	16.6 (2)	C4—C5—C11—C16	−83.0 (3)
O2—Mo1—N2—C6	99.8 (8)	C6—C5—C11—C12	−83.6 (3)
O1—Mo1—N2—Mo1i	−169.1 (11)	C4—C5—C11—C12	96.9 (3)
N1i—Mo1—N2—Mo1i	89.31 (11)	C16—C11—C12—C13	1.2 (5)
N2i—Mo1—N2—Mo1i	−0.003 (2)	C5—C11—C12—C13	−178.7 (3)
N1—Mo1—N2—Mo1i	−71.32 (10)	C11—C12—C13—C14	0.7 (6)
O2—Mo1—N2—Mo1i	11.9 (8)	C12—C13—C14—C15	−1.8 (5)
C4—N1—C1—C10i	177.8 (3)	C13—C14—C15—C16	0.9 (5)
Mo1i—N1—C1—C10i	9.8 (4)	C12—C11—C16—C15	−2.1 (4)
Mo1—N1—C1—C10i	−14.7 (4)	C5—C11—C16—C15	177.9 (3)
C4—N1—C1—C2	−0.9 (3)	C14—C15—C16—C11	1.0 (4)
Mo1i—N1—C1—C2	−168.85 (18)	C1i—C10—C17—C18	92.1 (3)
Mo1—N1—C1—C2	166.57 (17)	C9—C10—C17—C18	−90.4 (3)
N1—C1—C2—C3	0.4 (3)	C1i—C10—C17—C22	−89.6 (3)
C10i—C1—C2—C3	−178.3 (3)	C9—C10—C17—C22	87.8 (3)
C1—C2—C3—C4	0.3 (3)	C22—C17—C18—C19	0.6 (5)
C1—N1—C4—C5	179.5 (2)	C10—C17—C18—C19	178.8 (3)
Mo1i—N1—C4—C5	−12.2 (4)	C17—C18—C19—C20	−0.7 (6)
Mo1—N1—C4—C5	12.7 (4)	C18—C19—C20—C21	−0.4 (6)
C1—N1—C4—C3	1.1 (3)	C19—C20—C21—C22	1.5 (5)
Mo1i—N1—C4—C3	169.33 (17)	C18—C17—C22—C21	0.5 (4)
Mo1—N1—C4—C3	−165.80 (17)	C10—C17—C22—C21	−177.8 (3)
C2—C3—C4—N1	−0.8 (3)	C20—C21—C22—C17	−1.6 (5)
C2—C3—C4—C5	−179.3 (3)	C28ii—C26—C27—C28	0.3 (6)
N1—C4—C5—C6	−1.5 (4)	C26—C27—C28—C26ii	−0.3 (6)

Table 1

Selected bond lengths (Å)

Mo1—O1	1.678 (9)
Mo1—N1i	2.039 (2)
Mo1—N2i	2.044 (2)
Mo1—N2	2.139 (2)
Mo1—N1	2.159 (2)
Mo1—O2	2.227 (9)

Symmetry code: (i) .