μ-Oxido-bis{[2,2-bis-(3,5-dimethyl-1H-pyrazol-1-yl)acetato-κN,O,N]chloridooxidomolybdenum(V)} mono-hydrate.

In the binuclear title compound, [Mo(2)(C(12)H(15)N(4)O(2))(2)Cl(2)O(3)]·H(2)O, the complex mol-ecules have approximate C(2) symmetry. Both Mo(V) atoms have a distorted octa-hedral coordination environment with cis-positioned terminal chloride and oxide groups. The heteroscorpionate organic ligand binds to the Mo(V) atom via an N(2)O donor set. The water mol-ecule bridges two complex mol-ecules, forming O-H⋯O and O-H⋯Cl hydrogen bonds to the acetate group and to the chloride ligands.

Related literature

The prepraration of the first ‘scorpionate’ complex was described by Trofimenko (1967 ▶). For the importance of the structures of Mo(VI/V/IV) complexes related to the Mo-enzymes, see: Hille (1996 ▶); Heinze & Fischer (2010 ▶). For complexes with κ3 N,N′,O-bound heteroscorpionate ligands, see: Otero et al. (2004 ▶); Burzlaff (2008 ▶); Kitanovski et al. (2006 ▶). For Mo complexes with bis­(3,5 dimethyl-1H-pyrazol-1-yl)acetate ligands, see: Kitanovski et al. (2006 ▶); Hammes et al. (2004 ▶). For the weighting scheme used in the refinement, see: Wang et al. (1985 ▶)

Experimental

Crystal data

[Mo2(C12H15N4O2)2Cl2O3]·H2O

M = 823.36

Orthorhombic,

a = 14.6869 (1) Å

b = 20.6499 (2) Å

c = 21.0082 (2) Å

V = 6371.43 (10) Å3

Z = 8

Mo Kα radiation

μ = 1.01 mm−1

T = 293 K

0.30 × 0.15 × 0.05 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan DENZO-SMN (Otwinowski & Minor, 1997) ▶ T min = 0.69, T max = 0.95

91066 measured reflections

7300 independent reflections

5534 reflections with I > 2σ(I)

R int = 0.064

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.028

S = 1.42

6640 reflections

397 parameters

H-atom parameters not refined

Δρmax = 0.97 e Å−3

Δρmin = −1.50 e Å−3

Data collection: COLLECT (Nonius, 2000 ▶); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997 ▶); data reduction: DENZO-SMN; program(s) used to solve structure: SIR97 (Altomare et al., 1999 ▶); program(s) used to refine structure: Xtal3.6 (Hall et al., 1999 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: Xtal3.6.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810045393/gk2307sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810045393/gk2307Isup2.hkl

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

[Mo2(C12H15N4O2)2Cl2O3]·H2O	F(000) = 3312
Mr = 823.36	Dx = 1.717 Mg m−3
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -p 2ac 2ab	Cell parameters from 7980 reflections
a = 14.6869 (1) Å	θ = 2.6–27.5°
b = 20.6499 (2) Å	µ = 1.01 mm−1
c = 21.0082 (2) Å	T = 293 K
V = 6371.43 (10) Å3	Plate, black
Z = 8	0.3 × 0.15 × 0.05 mm

Nonius KappaCCD diffractometer	5534 reflections with F2 > 2σ(F2)
φ and ω scans	Rint = 0.064
Absorption correction: multi-scan DENZO-SMN (Otwinowski & Minor, 1997)	θmax = 27.5°, θmin = 2.6°
Tmin = 0.69, Tmax = 0.95	h = −19→19
91066 measured reflections	k = −26→26
7300 independent reflections	l = −27→27

Refinement on F	0 constraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.038	Hydrogen site location: difference Fourier map
wR(F2) = 0.028	H-atom parameters not refined
S = 1.42	A REGINA (Wang et al., 1985) weighting scheme using the normal equation of the second order was applied for individual reflections so that w = A(0,0) + A(1,0)V(F) + A(0,1)V(S) + A(2,0)V(F)2 + A(0,2)V(S)2 + A(1,1)V(F)V(S), where V(F) = Fobs/Fobs(max), Fobs(max) = 496.47 and V(S) = (sinθ/λ)/ ((sinθ/λ)(max)), (sinθ/λ)(max) = .6495. The parameters were: A(0,0) = 110.7607, A(1,0) = .7072179 A(0,1) = -502.5041, A(2,0) = -.0004053 A(1,1) = -1.637116, A(0,2) = 576.1985
6640 reflections	(Δ/σ)max = 0.002
397 parameters	Δρmax = 0.97 e Å−3
0 restraints	Δρmin = −1.50 e Å−3

Refinement. Independent reflections: contributing reflections are all observed (I > 2?(I)) and those "less than" reflections for which Fcal > Fobs

	x	y	z	Uiso*/Ueq
Mo1	0.356763 (18)	0.580454 (15)	0.363344 (13)	0.03224 (16)
Mo2	0.127609 (18)	0.634123 (13)	0.418255 (13)	0.03082 (15)
Cl1	0.33672 (7)	0.63258 (6)	0.26439 (5)	0.0575 (6)
Cl2	0.13854 (8)	0.72985 (5)	0.35598 (5)	0.0518 (5)
O1	0.42851 (19)	0.63004 (14)	0.40162 (14)	0.0469 (14)
O2	0.05836 (19)	0.58758 (15)	0.37453 (13)	0.0459 (14)
O3	0.24283 (17)	0.60782 (13)	0.39192 (12)	0.0376 (12)
O1a	0.29066 (17)	0.49772 (14)	0.32167 (12)	0.0403 (14)
O1c	0.19247 (17)	0.68744 (13)	0.49357 (13)	0.0389 (13)
O1w	0.1181 (6)	0.7030 (5)	0.7123 (3)	0.120 (5)
O2a	0.2706 (3)	0.3928 (2)	0.3027 (2)	0.072 (2)
O2c	0.2051 (4)	0.7262 (3)	0.5911 (2)	0.102 (3)
N1a	0.4782 (2)	0.45992 (18)	0.32861 (16)	0.0426 (17)
N1b	0.3950 (2)	0.44470 (16)	0.42532 (16)	0.0381 (15)
N1c	0.0069 (2)	0.67646 (15)	0.53542 (15)	0.0364 (15)
N1d	0.1010 (2)	0.58456 (17)	0.55781 (15)	0.0363 (15)
N2a	0.4745 (2)	0.52597 (18)	0.32370 (15)	0.0404 (17)
N2b	0.3723 (2)	0.50768 (15)	0.43911 (14)	0.0348 (14)
N2c	0.0083 (2)	0.67518 (16)	0.47019 (15)	0.0374 (15)
N2d	0.1203 (2)	0.56463 (15)	0.49686 (15)	0.0343 (14)
C1	0.4037 (2)	0.4250 (2)	0.35926 (19)	0.0400 (17)
C2	0.3131 (3)	0.4384 (2)	0.32399 (19)	0.042 (2)
C3	0.0850 (2)	0.6528 (2)	0.57055 (17)	0.0363 (17)
C4	0.1695 (3)	0.6934 (2)	0.5519 (2)	0.043 (2)
C1a	0.5527 (3)	0.5441 (3)	0.2959 (2)	0.050 (2)
C1b	0.3692 (2)	0.5115 (2)	0.50244 (17)	0.0373 (18)
C1c	−0.0725 (3)	0.69854 (18)	0.4513 (2)	0.042 (2)
C1d	0.1307 (2)	0.50069 (18)	0.5001 (2)	0.0386 (18)
C2a	0.6050 (3)	0.4893 (3)	0.2824 (2)	0.054 (2)
C2b	0.3862 (3)	0.4508 (2)	0.5289 (2)	0.047 (2)
C2c	−0.1235 (3)	0.7160 (2)	0.5045 (2)	0.046 (2)
C2d	0.1215 (3)	0.4801 (2)	0.5624 (2)	0.049 (2)
C3a	0.5574 (3)	0.4366 (3)	0.30345 (19)	0.051 (2)
C3b	0.4029 (3)	0.4091 (2)	0.4791 (2)	0.043 (2)
C3c	−0.0725 (3)	0.70158 (18)	0.5574 (2)	0.041 (2)
C3d	0.1028 (3)	0.5335 (2)	0.5988 (2)	0.046 (2)
C4a	0.5761 (3)	0.6135 (3)	0.2839 (3)	0.064 (3)
C4b	0.3479 (3)	0.5733 (2)	0.53618 (17)	0.0436 (19)
C4c	−0.0982 (3)	0.7015 (2)	0.3832 (2)	0.054 (2)
C4d	0.1487 (3)	0.46071 (19)	0.4415 (2)	0.048 (2)
C5a	0.5788 (4)	0.3660 (3)	0.3004 (3)	0.066 (3)
C5b	0.4230 (4)	0.3388 (2)	0.4802 (3)	0.059 (3)
C5c	−0.0935 (3)	0.7086 (2)	0.6267 (2)	0.056 (2)
C5d	0.0856 (4)	0.5399 (3)	0.6682 (2)	0.066 (3)
H1	0.41320	0.37560	0.36130	0.05100*
H3	0.07365	0.65819	0.61512	0.04400*
H2a	0.66284	0.48881	0.26212	0.06900*
H2b	0.37560	0.44131	0.57470	0.06000*
H2c	−0.18830	0.72980	0.50800	0.05800*
H2d	0.12743	0.43666	0.57739	0.04800*
H41a	0.52780	0.63990	0.29460	0.09700*
H41b	0.40378	0.59663	0.54040	0.03500*
H41c	−0.16109	0.69029	0.37845	0.08300*
H41d	0.09551	0.46090	0.41535	0.07400*
H42a	0.62821	0.62497	0.30871	0.09700*
H42b	0.30666	0.60026	0.51266	0.03500*
H42c	−0.08793	0.74444	0.36759	0.08300*
H42d	0.19870	0.47863	0.41782	0.07400*
H43a	0.58964	0.61895	0.23938	0.09700*
H43b	0.32447	0.56634	0.57824	0.03500*
H43c	−0.06118	0.67138	0.35975	0.08300*
H43d	0.16272	0.41687	0.45318	0.07400*
H51a	0.61091	0.35634	0.26196	0.10200*
H51b	0.47000	0.33311	0.45370	0.09200*
H51c	−0.15547	0.72295	0.63045	0.08700*
H51d	0.02901	0.56177	0.67437	0.08600*
H52a	0.61542	0.35504	0.33685	0.10200*
H52b	0.43847	0.32526	0.52219	0.09200*
H52c	−0.08809	0.66839	0.64895	0.08700*
H52d	0.08187	0.49797	0.68766	0.08600*
H53a	0.52271	0.34224	0.30207	0.10200*
H53b	0.37110	0.31483	0.46523	0.09200*
H53c	−0.05527	0.74058	0.64650	0.08700*
H53d	0.13301	0.56460	0.68810	0.08600*
H1w	0.17930	0.69550	0.69110	0.13000*
H2w	0.14750	0.72429	0.75000	0.13000*

	U11	U22	U33	U12	U13	U23
Mo1	0.02782 (15)	0.04180 (17)	0.02709 (16)	0.00192 (11)	0.00332 (10)	0.00246 (11)
Mo2	0.02996 (15)	0.03545 (16)	0.02706 (15)	0.00194 (11)	0.00348 (11)	0.00135 (11)
Cl1	0.0550 (5)	0.0798 (7)	0.0378 (5)	0.0089 (5)	0.0059 (4)	0.0207 (5)
Cl2	0.0681 (6)	0.0448 (5)	0.0424 (5)	0.0066 (4)	0.0105 (4)	0.0108 (4)
O1	0.0440 (13)	0.0474 (14)	0.0492 (16)	−0.0056 (12)	−0.0014 (11)	−0.0005 (12)
O2	0.0472 (13)	0.0515 (15)	0.0389 (14)	−0.0047 (12)	0.0008 (11)	−0.0033 (11)
O3	0.0364 (12)	0.0438 (12)	0.0327 (12)	0.0079 (10)	0.0077 (10)	0.0078 (10)
O1a	0.0328 (11)	0.0529 (17)	0.0351 (13)	0.0034 (10)	−0.0054 (9)	−0.0023 (11)
O1c	0.0348 (12)	0.0435 (13)	0.0384 (15)	−0.0077 (10)	0.0049 (10)	−0.0005 (10)
O1w	0.139 (5)	0.157 (6)	0.064 (3)	−0.019 (5)	−0.007 (3)	−0.032 (3)
O2a	0.071 (2)	0.0570 (19)	0.088 (3)	−0.0032 (17)	−0.036 (2)	−0.0100 (17)
O2c	0.095 (3)	0.157 (5)	0.052 (2)	−0.078 (3)	0.013 (2)	−0.035 (3)
N1a	0.0359 (15)	0.058 (2)	0.0343 (16)	0.0101 (14)	0.0017 (12)	−0.0037 (14)
N1b	0.0367 (14)	0.0422 (16)	0.0353 (16)	0.0013 (11)	0.0000 (12)	−0.0010 (13)
N1c	0.0324 (14)	0.0445 (16)	0.0324 (16)	0.0012 (12)	0.0051 (12)	−0.0025 (12)
N1d	0.0345 (13)	0.0441 (17)	0.0304 (14)	−0.0014 (12)	0.0043 (11)	0.0039 (13)
N2a	0.0309 (14)	0.058 (2)	0.0321 (16)	0.0020 (13)	0.0027 (11)	−0.0023 (13)
N2b	0.0314 (13)	0.0442 (16)	0.0288 (14)	0.0031 (12)	0.0003 (11)	−0.0010 (11)
N2c	0.0349 (15)	0.0454 (16)	0.0318 (15)	0.0022 (12)	0.0000 (12)	−0.0009 (12)
N2d	0.0288 (13)	0.0392 (16)	0.0350 (14)	−0.0010 (11)	0.0024 (11)	0.0024 (11)
C1	0.0377 (16)	0.0495 (19)	0.0328 (17)	0.0045 (15)	−0.0019 (14)	−0.0028 (16)
C2	0.0385 (18)	0.052 (2)	0.0344 (19)	−0.0014 (16)	−0.0013 (14)	−0.0053 (16)
C3	0.0345 (16)	0.0440 (19)	0.0304 (17)	0.0019 (14)	0.0025 (13)	0.0002 (13)
C4	0.0388 (18)	0.053 (2)	0.036 (2)	−0.0095 (16)	−0.0013 (16)	−0.0028 (16)
C1a	0.0338 (19)	0.083 (3)	0.034 (2)	0.002 (2)	0.0060 (15)	0.0015 (18)
C1b	0.0322 (16)	0.052 (2)	0.0278 (16)	−0.0040 (15)	−0.0030 (13)	−0.0007 (14)
C1c	0.0352 (18)	0.0388 (18)	0.051 (2)	0.0031 (14)	−0.0012 (16)	−0.0002 (15)
C1d	0.0305 (16)	0.0362 (17)	0.049 (2)	−0.0019 (14)	0.0036 (15)	0.0045 (14)
C2a	0.039 (2)	0.088 (3)	0.037 (2)	0.010 (2)	0.0073 (15)	−0.005 (2)
C2b	0.050 (2)	0.060 (2)	0.0324 (18)	−0.0022 (18)	−0.0069 (16)	0.0076 (17)
C2c	0.038 (2)	0.047 (2)	0.052 (2)	0.0073 (16)	0.0064 (17)	0.0044 (16)
C2d	0.052 (2)	0.0403 (19)	0.053 (2)	−0.0022 (17)	0.0102 (18)	0.0125 (16)
C3a	0.042 (2)	0.079 (3)	0.0312 (18)	0.017 (2)	0.0004 (15)	−0.0078 (19)
C3b	0.0430 (18)	0.047 (2)	0.039 (2)	−0.0044 (16)	−0.0104 (15)	0.0078 (16)
C3c	0.0371 (18)	0.0363 (17)	0.050 (2)	0.0014 (14)	0.0108 (16)	−0.0035 (15)
C3d	0.047 (2)	0.052 (2)	0.038 (2)	−0.0036 (16)	0.0045 (15)	0.0154 (16)
C4a	0.041 (2)	0.092 (4)	0.060 (3)	−0.011 (2)	0.0163 (19)	0.011 (2)
C4b	0.0418 (18)	0.057 (2)	0.0317 (17)	0.0051 (16)	−0.0026 (14)	−0.0077 (16)
C4c	0.046 (2)	0.065 (3)	0.051 (2)	0.0140 (18)	−0.0073 (17)	0.005 (2)
C4d	0.046 (2)	0.0378 (18)	0.060 (2)	−0.0017 (15)	0.0043 (17)	−0.0061 (16)
C5a	0.063 (3)	0.076 (3)	0.059 (3)	0.023 (2)	0.004 (2)	−0.015 (2)
C5b	0.069 (3)	0.049 (2)	0.060 (3)	0.000 (2)	−0.014 (2)	0.007 (2)
C5c	0.059 (2)	0.060 (2)	0.050 (2)	0.013 (2)	0.012 (2)	−0.0029 (19)
C5d	0.089 (4)	0.070 (3)	0.038 (2)	−0.004 (2)	0.004 (2)	0.011 (2)

Mo1—Cl1	2.3594 (11)	C1d—C2d	1.383 (6)
Mo1—O1	1.675 (3)	C1d—C4d	1.506 (6)
Mo1—O1a	2.151 (3)	C2a—C3a	1.367 (8)
Mo1—O3	1.865 (3)	C2b—C3b	1.377 (6)
Mo1—N2a	2.225 (3)	C2c—C3c	1.373 (6)
Mo1—N2b	2.201 (3)	C2d—C3d	1.370 (6)
Mo2—Cl2	2.3759 (11)	C3—C4	1.548 (5)
Mo2—O1c	2.150 (3)	C3a—C5a	1.493 (9)
Mo2—O2	1.674 (3)	C3b—C5b	1.482 (6)
Mo2—O3	1.861 (3)	C3c—C5c	1.495 (6)
Mo2—N2c	2.232 (3)	C3d—C5d	1.486 (6)
Mo2—N2d	2.190 (3)	C1—H1	1.0305
O1a—C2	1.270 (5)	C2a—H2a	0.9504
O1c—C4	1.277 (5)	C2b—H2b	0.9942
O2a—C2	1.215 (6)	C2c—H2c	0.9962
O2c—C4	1.188 (7)	C2d—H2d	0.9547
O1w—H1w	1.0150	C3—H3	0.9575
O1w—H2w	1.0035	C4a—H42a	0.9558
N1a—N2a	1.369 (5)	C4a—H41a	0.9225
N1a—C3a	1.365 (6)	C4a—H43a	0.9628
N1a—C1	1.460 (5)	C4b—H42b	0.9597
N1b—C3b	1.353 (5)	C4b—H43b	0.9591
N1b—N2b	1.374 (5)	C4b—H41b	0.9558
N1b—C1	1.452 (5)	C4c—H43c	0.9619
N1c—C3	1.449 (4)	C4c—H41c	0.9574
N1c—N2c	1.371 (4)	C4c—H42c	0.9574
N1c—C3c	1.357 (5)	C4d—H43d	0.9603
N1d—C3	1.454 (5)	C4d—H42d	0.9611
N1d—N2d	1.375 (4)	C4d—H41d	0.9550
N1d—C3d	1.362 (5)	C5a—H52a	0.9627
N2a—C1a	1.342 (5)	C5a—H51a	0.9562
N2b—C1b	1.334 (5)	C5a—H53a	0.9595
N2c—C1c	1.341 (5)	C5b—H52b	0.9529
N2d—C1d	1.331 (5)	C5b—H51b	0.8946
C1—C2	1.548 (5)	C5b—H53b	0.9617
C1a—C2a	1.397 (8)	C5c—H52c	0.9562
C1a—C4a	1.495 (9)	C5c—H53c	0.9615
C1b—C2b	1.394 (6)	C5c—H51c	0.9604
C1b—C4b	1.493 (6)	C5d—H53d	0.9590
C1c—C4c	1.481 (6)	C5d—H51d	0.9547
C1c—C2c	1.393 (6)	C5d—H52d	0.9591
Cl1—Mo1—O1	102.86 (10)	N1c—C3—N1d	111.2 (3)
Cl1—Mo1—O1a	86.99 (8)	N1c—C3—C4	108.9 (3)
Cl1—Mo1—O3	91.92 (8)	N1d—C3—C4	110.4 (3)
Cl1—Mo1—N2a	89.88 (9)	N1a—C3a—C5a	122.7 (5)
Cl1—Mo1—N2b	164.08 (9)	C2a—C3a—C5a	131.0 (5)
O1—Mo1—O1a	164.75 (12)	N1a—C3a—C2a	106.3 (5)
O1—Mo1—O3	102.98 (13)	N1b—C3b—C2b	106.2 (4)
O1—Mo1—N2a	89.99 (13)	C2b—C3b—C5b	129.5 (4)
O1—Mo1—N2b	90.29 (13)	N1b—C3b—C5b	124.2 (4)
O1a—Mo1—O3	88.09 (11)	N1c—C3c—C2c	106.0 (4)
O1a—Mo1—N2a	78.28 (11)	C2c—C3c—C5c	130.9 (4)
O1a—Mo1—N2b	78.40 (11)	N1c—C3c—C5c	123.1 (4)
O3—Mo1—N2a	166.14 (12)	N1d—C3d—C2d	105.9 (4)
O3—Mo1—N2b	93.85 (11)	N1d—C3d—C5d	123.3 (4)
N2a—Mo1—N2b	81.07 (12)	C2d—C3d—C5d	130.8 (4)
Cl2—Mo2—O1c	87.09 (8)	O1c—C4—O2c	127.2 (5)
Cl2—Mo2—O2	102.51 (10)	O1c—C4—C3	113.7 (3)
Cl2—Mo2—O3	91.01 (9)	O2c—C4—C3	119.1 (4)
Cl2—Mo2—N2c	90.35 (9)	N1b—C1—H1	104.45
Cl2—Mo2—N2d	164.48 (9)	C2—C1—H1	108.26
O1c—Mo2—O2	165.25 (12)	N1a—C1—H1	113.94
O1c—Mo2—O3	88.02 (10)	C3a—C2a—H2a	126.42
O1c—Mo2—N2c	78.09 (10)	C1a—C2a—H2a	126.24
O1c—Mo2—N2d	78.60 (11)	C1b—C2b—H2b	122.36
O2—Mo2—O3	102.81 (13)	C3b—C2b—H2b	129.79
O2—Mo2—N2c	90.54 (13)	C1c—C2c—H2c	130.32
O2—Mo2—N2d	90.45 (13)	C3c—C2c—H2c	121.57
O3—Mo2—N2c	165.95 (11)	C3d—C2d—H2d	126.20
O3—Mo2—N2d	94.44 (11)	C1d—C2d—H2d	126.32
N2c—Mo2—N2d	80.90 (11)	N1c—C3—H3	108.73
Mo1—O1a—C2	129.3 (3)	N1d—C3—H3	108.72
Mo2—O1c—C4	129.7 (3)	C4—C3—H3	108.91
Mo1—O3—Mo2	178.31 (16)	C1a—C4a—H41a	110.40
H1w—O1w—H2w	91.84	C1a—C4a—H42a	109.25
N2a—N1a—C3a	110.9 (4)	H41a—C4a—H42a	109.66
C1—N1a—C3a	129.4 (4)	H41a—C4a—H43a	109.05
N2a—N1a—C1	119.7 (3)	H42a—C4a—H43a	109.60
N2b—N1b—C3b	111.1 (3)	C1a—C4a—H43a	108.86
C1—N1b—C3b	129.7 (3)	C1b—C4b—H41b	107.16
N2b—N1b—C1	119.2 (3)	C1b—C4b—H43b	112.61
N2c—N1c—C3	119.4 (3)	H41b—C4b—H42b	107.30
C3—N1c—C3c	129.5 (3)	C1b—C4b—H42b	112.56
N2c—N1c—C3c	111.1 (3)	H42b—C4b—H43b	109.56
N2d—N1d—C3	119.7 (3)	H41b—C4b—H43b	107.35
C3—N1d—C3d	129.6 (3)	C1c—C4c—H41c	109.67
N2d—N1d—C3d	110.7 (3)	C1c—C4c—H42c	109.21
Mo1—N2a—N1a	120.4 (2)	H41c—C4c—H42c	109.89
Mo1—N2a—C1a	133.4 (3)	H41c—C4c—H43c	109.61
N1a—N2a—C1a	106.1 (4)	C1c—C4c—H43c	108.91
Mo1—N2b—N1b	121.3 (2)	H42c—C4c—H43c	109.54
Mo1—N2b—C1b	132.7 (3)	C1d—C4d—H42d	110.26
N1b—N2b—C1b	106.0 (3)	C1d—C4d—H43d	110.22
Mo2—N2c—C1c	133.4 (3)	H41d—C4d—H42d	109.01
N1c—N2c—C1c	106.0 (3)	H41d—C4d—H43d	109.04
Mo2—N2c—N1c	120.5 (2)	H42d—C4d—H43d	109.35
Mo2—N2d—N1d	121.1 (2)	C1d—C4d—H41d	108.93
N1d—N2d—C1d	105.9 (3)	C3a—C5a—H51a	110.11
Mo2—N2d—C1d	133.1 (3)	C3a—C5a—H52a	108.24
N1a—C1—N1b	110.4 (3)	H51a—C5a—H52a	110.31
N1b—C1—C2	109.4 (3)	H51a—C5a—H53a	110.34
N1a—C1—C2	110.2 (3)	H52a—C5a—H53a	109.29
N2a—C1a—C2a	109.5 (5)	C3a—C5a—H53a	108.49
N2a—C1a—C4a	122.5 (5)	C3b—C5b—H52b	110.45
C2a—C1a—C4a	128.0 (4)	C3b—C5b—H53b	109.95
N2b—C1b—C2b	109.8 (3)	C3b—C5b—H51b	105.83
N2b—C1b—C4b	122.1 (3)	H51b—C5b—H53b	109.91
C2b—C1b—C4b	128.1 (3)	H52b—C5b—H53b	109.92
N2c—C1c—C4c	121.8 (4)	H51b—C5b—H52b	110.71
C2c—C1c—C4c	128.9 (4)	C3c—C5c—H51c	107.77
N2c—C1c—C2c	109.4 (4)	C3c—C5c—H52c	112.00
N2d—C1d—C2d	110.0 (4)	H51c—C5c—H52c	107.85
N2d—C1d—C4d	121.5 (4)	H51c—C5c—H53c	107.82
C2d—C1d—C4d	128.5 (4)	C3c—C5c—H53c	111.55
O1a—C2—O2a	126.9 (4)	H52c—C5c—H53c	109.66
O1a—C2—C1	114.5 (3)	C3d—C5d—H52d	110.35
O2a—C2—C1	118.6 (4)	C3d—C5d—H53d	110.59
C1a—C2a—C3a	107.3 (4)	C3d—C5d—H51d	108.87
C1b—C2b—C3b	106.9 (4)	H51d—C5d—H53d	108.74
C1c—C2c—C3c	107.5 (4)	H52d—C5d—H53d	109.62
C1d—C2d—C3d	107.5 (4)	H51d—C5d—H52d	108.63

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H1w···O2c	1.02	2.23	2.889 (8)	121
O1w—H2w···Cl2i	1.00	2.42	3.335 (7)	151

Table 1

Selected bond lengths (Å)

Mo1—Cl1	2.3594 (11)
Mo1—O1	1.675 (3)
Mo1—O1a	2.151 (3)
Mo1—O3	1.865 (3)
Mo1—N2a	2.225 (3)
Mo1—N2b	2.201 (3)
Mo2—Cl2	2.3759 (11)
Mo2—O1c	2.150 (3)
Mo2—O2	1.674 (3)
Mo2—O3	1.861 (3)
Mo2—N2c	2.232 (3)
Mo2—N2d	2.190 (3)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1w—H1w⋯O2c	1.02	2.23	2.889 (8)	121
O1w—H2w⋯Cl2i	1.00	2.42	3.335 (7)	151

Symmetry code: (i) .