Bis(μ(2)-η:η-2,4,6-trimethyl-benzonitrile)-bis-[(N-isopropyl-3,5-dimethyl-anilido)molybdenum(III)](Mo-Mo).

The title compound, [Mo(2)(C(11)H(16)N)(4)(C(10)H(11)N)(2)], is a dinuclear molybdenum complex with a formal metal-metal bond [Mo⋯Mo separation = 2.5946 (8) Å], four anilide-type ligands and two bridging mesityl nitrile groups. There are two inversion symmetric mol-ecules in the unit cell (an inversion center is localized at the mid-point of the Mo-Mo bond), each with approximate non-crystallographic C(2h) symmetry. The mol-ecules contain disordered isopropyl and 3,5-C(6)H(3)Me(2) groups on different anilido ligands; the major component having an occupancy of 0.683 (7). The complex was obtained in low yield as the product from the reaction between the bridging pyrazine adduct of molybdenum tris--anilide ([μ(2)-(C(4)H(4)N(2)){Mo(C(11)H(16)N)(3)}(2)]) and mesityl nitrile with a loss of one anilido ligand.

Related literature

For the synthesis of molybdenum(III) tris­-anilide nitrides and structures of similar complexes, see: Johnson et al. (1997 ▶); Tsai et al. (1999 ▶). For reactions of three-coordinate Mo(III) complexes with dinitro­gen, organic nitriles and isocyanides, including a base-catalysed dinitro­gen cleavage, see: Tsai et al. (2003 ▶); Curley et al. (2008 ▶); Germain et al. (2009 ▶). For the structural parameters of mesityl nitrile and its complexes, see: Britton (1979 ▶); Figueroa & Cummins (2003 ▶). For the structural parameters of molybdenum complexes with μ2-η2-η2 bridging benzonitrile, see: Li et al. (2008 ▶).

Experimental

Crystal data

[Mo2(C11H16N)4(C10H11N)2]

M = 1131.27

Monoclinic,

a = 13.262 (2) Å

b = 17.090 (3) Å

c = 13.306 (2) Å

β = 109.387 (2)°

V = 2844.7 (8) Å3

Z = 2

Mo Kα radiation

μ = 0.49 mm−1

T = 100 K

0.15 × 0.1 × 0.07 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2009 ▶) T min = 0.459, T max = 0.746

55443 measured reflections

7345 independent reflections

4190 reflections with I > 2σ(I)

R int = 0.119

Refinement

R[F 2 > 2σ(F 2)] = 0.067

wR(F 2) = 0.172

S = 1.08

7345 reflections

375 parameters

63 restraints

H-atom parameters constrained

Δρmax = 1.54 e Å−3

Δρmin = −1.51 e Å−3

Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811044680/zl2410sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811044680/zl2410Isup2.hkl

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

[Mo2(C11H16N)4(C10H11N)2]	F(000) = 1192
Mr = 1131.27	Dx = 1.321 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 55443 reflections
a = 13.262 (2) Å	θ = 1.9–28.7°
b = 17.090 (3) Å	µ = 0.49 mm−1
c = 13.306 (2) Å	T = 100 K
β = 109.387 (2)°	Plate, dark blue
V = 2844.7 (8) Å3	0.15 × 0.1 × 0.07 mm
Z = 2

Bruker SMART APEX CCD diffractometer	7345 independent reflections
Radiation source: fine-focus sealed tube	4190 reflections with I > 2σ(I)
graphite	Rint = 0.119
φ and ω scans	θmax = 28.7°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 2009)	h = −17→17
Tmin = 0.459, Tmax = 0.746	k = −23→23
55443 measured reflections	l = −17→17

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.067	H-atom parameters constrained
wR(F2) = 0.172	w = 1/[σ2(Fo2) + (0.0372P)2 + 14.5221P] where P = (Fo2 + 2Fc2)/3
S = 1.08	(Δ/σ)max = 0.003
7345 reflections	Δρmax = 1.54 e Å−3
375 parameters	Δρmin = −1.51 e Å−3
63 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0011 (2)

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.

Refinement. Methyl H atoms were placed in geometrically idealized positions allowing the initial torsion angle to be determined by a difference Fourier analysis [C—H = 0.96 Å and Uiso(H) = 1.5Ueq(C)]. Other H atoms were placed in geometrically idealized positions and included as riding atoms [C—H = 0.93–0.98 Å and Uiso(H) = 1.2Ueq(C)]. Disordered i-Pr and disordered aryl group reside next to each other in the unit cell which causes a correlation in the model of the disorder, the ratios between the two components were refined freely. The geometries of the two PARTs of the disordered groups were kept similar using the SAME (it was applied for all atoms in the disordered i-Pr and disordered aryl groups) and SADI (it was used to restrain N2–C19A, N2–C19B and N3–C22A, N3–C22B bond distances) restraints of the program Shelxtl (Sheldrick, 2008) which allowed the 1,2- and 1,3- distances of corresponding atoms to be equal within determined standard deviations (0.02 Å for 1,2- and 0.04 for 1,3-distances); rigid bond restraints for anisotropic displacement parameters of atoms of the disordered i-Pr and disordered aryl group were applied using the DELU command (standart deviation is 0.01 Å). In addition, anisotropic displacement parameters of the pairs of overlapping disordered atoms of the major and minor components of the disorder were made equal using the EADP constraint.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Mo1	0.94612 (3)	0.99741 (3)	0.56542 (3)	0.02648 (14)
N1	1.0387 (3)	0.9050 (3)	0.5088 (3)	0.0293 (11)
N2	0.9342 (4)	1.0655 (3)	0.6828 (4)	0.0372 (12)
N3	0.8204 (3)	0.9260 (3)	0.5336 (4)	0.0347 (12)
C1	1.0935 (4)	0.9466 (3)	0.5926 (4)	0.0265 (12)
C2	1.1925 (4)	0.9270 (4)	0.6799 (4)	0.0297 (12)
C3	1.2509 (4)	0.9866 (4)	0.7474 (4)	0.0341 (14)
C4	1.3495 (4)	0.9667 (4)	0.8245 (5)	0.0423 (16)
H4	1.3894	1.0060	0.8683	0.051*
C5	1.3885 (4)	0.8927 (4)	0.8374 (5)	0.0446 (17)
C6	1.3278 (4)	0.8341 (4)	0.7753 (5)	0.0406 (15)
H6	1.3528	0.7829	0.7864	0.049*
C7	1.2296 (4)	0.8488 (4)	0.6962 (4)	0.0319 (13)
C8	1.2093 (5)	1.0688 (4)	0.7414 (5)	0.0432 (15)
H8A	1.1801	1.0846	0.6681	0.065*
H8B	1.2666	1.1034	0.7784	0.065*
H8C	1.1544	1.0711	0.7736	0.065*
C9	1.4973 (5)	0.8740 (5)	0.9173 (6)	0.070 (3)
H9A	1.5517	0.8858	0.8867	0.105*
H9B	1.5005	0.8195	0.9355	0.105*
H9C	1.5085	0.9049	0.9803	0.105*
C10	1.1667 (5)	0.7804 (4)	0.6362 (5)	0.0432 (15)
H10A	1.1572	0.7858	0.5618	0.065*
H10B	1.0981	0.7789	0.6459	0.065*
H10C	1.2047	0.7328	0.6627	0.065*
C11	0.9237 (5)	1.0201 (4)	0.7667 (4)	0.0363 (15)
C12	0.8446 (5)	1.0306 (4)	0.8144 (5)	0.0437 (16)
H12	0.7966	1.0719	0.7923	0.052*
C13	0.8364 (5)	0.9810 (5)	0.8934 (4)	0.049 (2)
C14	0.9048 (5)	0.9175 (4)	0.9242 (4)	0.0412 (15)
H14	0.8969	0.8831	0.9753	0.049*
C15	0.9845 (4)	0.9039 (4)	0.8803 (4)	0.0370 (14)
C16	0.9941 (4)	0.9569 (4)	0.8040 (4)	0.0326 (13)
H16	1.0496	0.9500	0.7766	0.039*
C17	0.7532 (5)	0.9951 (5)	0.9464 (5)	0.059 (2)
H17A	0.7841	1.0252	1.0101	0.089*
H17B	0.7288	0.9458	0.9642	0.089*
H17C	0.6939	1.0232	0.8985	0.089*
C18	1.0611 (5)	0.8367 (4)	0.9145 (5)	0.0465 (16)
H18A	1.1106	0.8467	0.9845	0.070*
H18B	1.0996	0.8308	0.8653	0.070*
H18C	1.0221	0.7896	0.9156	0.070*
C19A	0.9254 (8)	1.1512 (5)	0.6841 (9)	0.038 (2)	0.683 (7)
H19A	0.9672	1.1715	0.6413	0.046*	0.683 (7)
C21A	0.8119 (8)	1.1862 (8)	0.6359 (10)	0.051 (3)	0.683 (7)
H21D	0.7690	1.1704	0.6779	0.076*	0.683 (7)
H21E	0.7799	1.1676	0.5642	0.076*	0.683 (7)
H21F	0.8165	1.2422	0.6356	0.076*	0.683 (7)
C20A	0.9781 (9)	1.1816 (9)	0.7956 (9)	0.046 (2)	0.683 (7)
H20D	0.9347	1.1688	0.8385	0.069*	0.683 (7)
H20E	0.9859	1.2373	0.7936	0.069*	0.683 (7)
H20F	1.0472	1.1579	0.8259	0.069*	0.683 (7)
C19B	0.9603 (19)	1.1499 (10)	0.711 (2)	0.038 (2)	0.317 (7)
H19B	1.0036	1.1651	0.6671	0.046*	0.317 (7)
C20B	1.0263 (19)	1.179 (2)	0.8245 (19)	0.046 (2)	0.317 (7)
H20A	0.9841	1.1746	0.8705	0.069*	0.317 (7)
H20B	1.0456	1.2330	0.8209	0.069*	0.317 (7)
H20C	1.0899	1.1482	0.8522	0.069*	0.317 (7)
C21B	0.8616 (17)	1.2008 (18)	0.670 (2)	0.051 (3)	0.317 (7)
H21A	0.8270	1.1912	0.5952	0.076*	0.317 (7)
H21B	0.8820	1.2549	0.6807	0.076*	0.317 (7)
H21C	0.8134	1.1887	0.7078	0.076*	0.317 (7)
C22A	0.7116 (6)	0.9388 (6)	0.4677 (9)	0.027 (2)	0.683 (7)
C23A	0.6437 (7)	0.8872 (7)	0.3947 (7)	0.033 (2)	0.683 (7)
H23A	0.6672	0.8370	0.3869	0.040*	0.683 (7)
C24A	0.5414 (6)	0.9106 (7)	0.3335 (7)	0.037 (2)	0.683 (7)
C25A	0.5053 (6)	0.9838 (7)	0.3441 (8)	0.040 (2)	0.683 (7)
H25A	0.4364	0.9980	0.3025	0.048*	0.683 (7)
C26A	0.5698 (7)	1.0379 (6)	0.4161 (8)	0.0344 (18)	0.683 (7)
C27A	0.6723 (6)	1.0137 (6)	0.4776 (7)	0.0295 (19)	0.683 (7)
H27A	0.7161	1.0483	0.5269	0.035*	0.683 (7)
C28A	0.4706 (7)	0.8532 (8)	0.2521 (8)	0.057 (3)	0.683 (7)
H28A	0.4025	0.8490	0.2623	0.086*	0.683 (7)
H28B	0.5043	0.8028	0.2615	0.086*	0.683 (7)
H28C	0.4606	0.8719	0.1814	0.086*	0.683 (7)
C29A	0.5277 (8)	1.1158 (7)	0.4255 (8)	0.050 (2)	0.683 (7)
H29A	0.4800	1.1321	0.3573	0.074*	0.683 (7)
H29B	0.5858	1.1523	0.4499	0.074*	0.683 (7)
H29C	0.4898	1.1140	0.4756	0.074*	0.683 (7)
C22B	0.7171 (14)	0.9624 (13)	0.490 (2)	0.027 (2)	0.317 (7)
C23B	0.6383 (14)	0.9158 (13)	0.4197 (18)	0.033 (2)	0.317 (7)
H23B	0.6526	0.8635	0.4106	0.040*	0.317 (7)
C24B	0.5386 (14)	0.9470 (13)	0.3635 (17)	0.037 (2)	0.317 (7)
C25B	0.5201 (15)	1.0238 (12)	0.3792 (18)	0.040 (2)	0.317 (7)
H25B	0.4542	1.0448	0.3397	0.048*	0.317 (7)
C26B	0.5936 (14)	1.0727 (11)	0.4507 (16)	0.0344 (18)	0.317 (7)
C27B	0.6937 (14)	1.0403 (12)	0.5068 (18)	0.0295 (19)	0.317 (7)
H27B	0.7450	1.0707	0.5558	0.035*	0.317 (7)
C28B	0.4540 (16)	0.8961 (16)	0.2848 (18)	0.057 (3)	0.317 (7)
H28D	0.3844	0.9105	0.2860	0.086*	0.317 (7)
H28E	0.4673	0.8421	0.3046	0.086*	0.317 (7)
H28F	0.4570	0.9036	0.2144	0.086*	0.317 (7)
C29B	0.5700 (17)	1.1550 (12)	0.468 (2)	0.050 (2)	0.317 (7)
H29D	0.5978	1.1885	0.4254	0.074*	0.317 (7)
H29E	0.6027	1.1681	0.5418	0.074*	0.317 (7)
H29F	0.4940	1.1621	0.4477	0.074*	0.317 (7)
C30	0.8460 (4)	0.8482 (4)	0.5816 (4)	0.0321 (13)
H30	0.9189	0.8522	0.6324	0.039*
C31	0.8491 (5)	0.7815 (4)	0.5064 (5)	0.0420 (15)
H31A	0.7774	0.7663	0.4658	0.063*
H31B	0.8862	0.7376	0.5472	0.063*
H31C	0.8856	0.7985	0.4589	0.063*
C32	0.7753 (4)	0.8279 (4)	0.6483 (5)	0.0417 (16)
H32A	0.7785	0.8695	0.6977	0.062*
H32B	0.8002	0.7803	0.6867	0.062*
H32C	0.7029	0.8212	0.6022	0.062*

	U11	U22	U33	U12	U13	U23
Mo1	0.01402 (18)	0.0447 (3)	0.02243 (19)	0.0035 (2)	0.00838 (13)	0.0022 (3)
N1	0.0137 (17)	0.055 (3)	0.018 (2)	0.006 (2)	0.0045 (16)	0.004 (2)
N2	0.035 (3)	0.054 (3)	0.031 (2)	0.011 (2)	0.022 (2)	0.002 (2)
N3	0.0090 (19)	0.061 (4)	0.034 (2)	0.003 (2)	0.0058 (17)	0.005 (2)
C1	0.011 (2)	0.044 (3)	0.025 (2)	0.007 (2)	0.0070 (18)	0.004 (2)
C2	0.016 (2)	0.051 (4)	0.023 (2)	−0.002 (2)	0.009 (2)	0.001 (2)
C3	0.018 (2)	0.056 (5)	0.027 (2)	0.002 (3)	0.0058 (18)	0.007 (3)
C4	0.022 (3)	0.071 (5)	0.030 (3)	−0.009 (3)	0.003 (2)	0.008 (3)
C5	0.017 (3)	0.069 (5)	0.042 (3)	−0.001 (3)	0.002 (2)	0.019 (3)
C6	0.020 (3)	0.059 (4)	0.042 (3)	0.005 (3)	0.008 (2)	0.016 (3)
C7	0.017 (2)	0.049 (4)	0.033 (3)	0.004 (2)	0.012 (2)	0.004 (3)
C8	0.035 (3)	0.053 (4)	0.036 (3)	−0.006 (3)	0.004 (3)	−0.002 (3)
C9	0.024 (3)	0.084 (6)	0.078 (5)	−0.006 (4)	−0.016 (3)	0.034 (5)
C10	0.033 (3)	0.045 (4)	0.050 (4)	0.015 (3)	0.012 (3)	0.006 (3)
C11	0.032 (3)	0.052 (4)	0.028 (3)	0.002 (3)	0.014 (2)	−0.003 (2)
C12	0.036 (3)	0.066 (5)	0.034 (3)	0.007 (3)	0.018 (3)	0.001 (3)
C13	0.026 (3)	0.098 (6)	0.023 (3)	−0.005 (3)	0.009 (2)	−0.007 (3)
C14	0.033 (3)	0.064 (5)	0.028 (3)	−0.011 (3)	0.013 (2)	0.000 (3)
C15	0.028 (3)	0.058 (4)	0.024 (3)	−0.001 (3)	0.007 (2)	−0.001 (3)
C16	0.028 (3)	0.050 (4)	0.023 (3)	0.002 (3)	0.013 (2)	0.000 (2)
C17	0.032 (3)	0.111 (6)	0.043 (3)	−0.004 (4)	0.024 (3)	0.004 (5)
C18	0.047 (4)	0.058 (4)	0.036 (3)	0.002 (3)	0.016 (3)	0.003 (3)
C19A	0.037 (7)	0.054 (5)	0.027 (6)	0.015 (4)	0.016 (5)	0.010 (4)
C21A	0.036 (6)	0.061 (7)	0.064 (7)	0.017 (6)	0.029 (5)	0.007 (6)
C20A	0.047 (7)	0.057 (5)	0.041 (6)	−0.005 (7)	0.024 (5)	−0.010 (5)
C19B	0.037 (7)	0.054 (5)	0.027 (6)	0.015 (4)	0.016 (5)	0.010 (4)
C20B	0.047 (7)	0.057 (5)	0.041 (6)	−0.005 (7)	0.024 (5)	−0.010 (5)
C21B	0.036 (6)	0.061 (7)	0.064 (7)	0.017 (6)	0.029 (5)	0.007 (6)
C22A	0.012 (2)	0.045 (6)	0.024 (6)	−0.004 (3)	0.007 (2)	0.002 (4)
C23A	0.018 (3)	0.048 (6)	0.026 (5)	−0.008 (3)	−0.002 (3)	0.003 (4)
C24A	0.016 (3)	0.063 (6)	0.026 (5)	−0.008 (4)	−0.001 (3)	0.006 (4)
C25A	0.015 (3)	0.068 (6)	0.035 (5)	0.001 (4)	0.006 (3)	0.016 (4)
C26A	0.019 (4)	0.056 (6)	0.032 (6)	0.006 (4)	0.014 (3)	0.010 (4)
C27A	0.016 (3)	0.047 (6)	0.028 (5)	−0.002 (4)	0.011 (3)	0.001 (4)
C28A	0.027 (4)	0.090 (9)	0.038 (6)	−0.015 (5)	−0.012 (4)	−0.005 (5)
C29A	0.035 (5)	0.068 (6)	0.052 (6)	0.020 (4)	0.023 (5)	0.010 (4)
C22B	0.012 (2)	0.045 (6)	0.024 (6)	−0.004 (3)	0.007 (2)	0.002 (4)
C23B	0.018 (3)	0.048 (6)	0.026 (5)	−0.008 (3)	−0.002 (3)	0.003 (4)
C24B	0.016 (3)	0.063 (6)	0.026 (5)	−0.008 (4)	−0.001 (3)	0.006 (4)
C25B	0.015 (3)	0.068 (6)	0.035 (5)	0.001 (4)	0.006 (3)	0.016 (4)
C26B	0.019 (4)	0.056 (6)	0.032 (6)	0.006 (4)	0.014 (3)	0.010 (4)
C27B	0.016 (3)	0.047 (6)	0.028 (5)	−0.002 (4)	0.011 (3)	0.001 (4)
C28B	0.027 (4)	0.090 (9)	0.038 (6)	−0.015 (5)	−0.012 (4)	−0.005 (5)
C29B	0.035 (5)	0.068 (6)	0.052 (6)	0.020 (4)	0.023 (5)	0.010 (4)
C30	0.015 (2)	0.055 (4)	0.025 (3)	−0.002 (2)	0.006 (2)	0.004 (3)
C31	0.027 (3)	0.057 (4)	0.039 (3)	−0.008 (3)	0.008 (2)	−0.007 (3)
C32	0.021 (3)	0.068 (5)	0.034 (3)	−0.006 (3)	0.008 (2)	0.008 (3)

Mo1—N1i	1.982 (5)	C21A—H21E	0.9600
Mo1—N3	1.995 (5)	C21A—H21F	0.9600
Mo1—N2	1.995 (5)	C20A—H20D	0.9600
Mo1—C1	2.059 (5)	C20A—H20E	0.9600
Mo1—C1i	2.208 (5)	C20A—H20F	0.9600
Mo1—N1	2.276 (5)	C19B—C21B	1.515 (18)
Mo1—Mo1i	2.5946 (8)	C19B—C20B	1.558 (19)
N1—C1	1.318 (7)	C19B—H19B	0.9800
N1—Mo1i	1.982 (5)	C20B—H20A	0.9600
N2—C11	1.404 (7)	C20B—H20B	0.9600
N2—C19A	1.469 (10)	C20B—H20C	0.9600
N2—C19B	1.500 (17)	C21B—H21A	0.9600
N3—C22A	1.435 (8)	C21B—H21B	0.9600
N3—C22B	1.440 (13)	C21B—H21C	0.9600
N3—C30	1.465 (8)	C22A—C23A	1.397 (10)
C1—C2	1.474 (7)	C22A—C27A	1.404 (11)
C1—Mo1i	2.208 (5)	C23A—C24A	1.389 (10)
C2—C3	1.408 (8)	C23A—H23A	0.9300
C2—C7	1.416 (8)	C24A—C25A	1.363 (15)
C3—C4	1.410 (7)	C24A—C28A	1.530 (13)
C3—C8	1.502 (9)	C25A—C26A	1.401 (14)
C4—C5	1.356 (10)	C25A—H25A	0.9300
C4—H4	0.9300	C26A—C27A	1.397 (10)
C5—C6	1.376 (9)	C26A—C29A	1.464 (13)
C5—C9	1.514 (8)	C27A—H27A	0.9300
C6—C7	1.399 (7)	C28A—H28A	0.9600
C6—H6	0.9300	C28A—H28B	0.9600
C7—C10	1.502 (9)	C28A—H28C	0.9600
C8—H8A	0.9600	C29A—H29A	0.9600
C8—H8B	0.9600	C29A—H29B	0.9600
C8—H8C	0.9600	C29A—H29C	0.9600
C9—H9A	0.9600	C22B—C23B	1.396 (16)
C9—H9B	0.9600	C22B—C27B	1.402 (17)
C9—H9C	0.9600	C23B—C24B	1.391 (16)
C10—H10A	0.9600	C23B—H23B	0.9300
C10—H10B	0.9600	C24B—C25B	1.36 (2)
C10—H10C	0.9600	C24B—C28B	1.527 (18)
C11—C12	1.406 (8)	C25B—C26B	1.39 (2)
C11—C16	1.408 (8)	C25B—H25B	0.9300
C12—C13	1.382 (9)	C26B—C27B	1.403 (16)
C12—H12	0.9300	C26B—C29B	1.475 (19)
C13—C14	1.387 (9)	C27B—H27B	0.9300
C13—C17	1.514 (8)	C28B—H28D	0.9600
C14—C15	1.387 (8)	C28B—H28E	0.9600
C14—H14	0.9300	C28B—H28F	0.9600
C15—C16	1.397 (8)	C29B—H29D	0.9600
C15—C18	1.501 (9)	C29B—H29E	0.9600
C16—H16	0.9300	C29B—H29F	0.9600
C17—H17A	0.9600	C30—C31	1.527 (8)
C17—H17B	0.9600	C30—C32	1.529 (7)
C17—H17C	0.9600	C30—H30	0.9800
C18—H18A	0.9600	C31—H31A	0.9600
C18—H18B	0.9600	C31—H31B	0.9600
C18—H18C	0.9600	C31—H31C	0.9600
C19A—C20A	1.507 (12)	C32—H32A	0.9600
C19A—C21A	1.547 (12)	C32—H32B	0.9600
C19A—H19A	0.9800	C32—H32C	0.9600
C21A—H21D	0.9600
N1i—Mo1—N3	128.66 (18)	H17A—C17—H17C	109.5
N1i—Mo1—N2	86.9 (2)	H17B—C17—H17C	109.5
N3—Mo1—N2	104.2 (2)	C15—C18—H18A	109.5
N1i—Mo1—C1	101.24 (19)	C15—C18—H18B	109.5
N3—Mo1—C1	117.2 (2)	H18A—C18—H18B	109.5
N2—Mo1—C1	115.2 (2)	C15—C18—H18C	109.5
N1i—Mo1—C1i	36.16 (19)	H18A—C18—H18C	109.5
N3—Mo1—C1i	98.32 (19)	H18B—C18—H18C	109.5
N2—Mo1—C1i	115.9 (2)	N2—C19A—C20A	110.0 (9)
C1—Mo1—C1i	105.19 (16)	N2—C19A—C21A	116.8 (9)
N1i—Mo1—N1	105.27 (16)	C20A—C19A—C21A	110.1 (8)
N3—Mo1—N1	90.58 (18)	N2—C19A—H19A	106.4
N2—Mo1—N1	148.77 (18)	C20A—C19A—H19A	106.4
C1—Mo1—N1	34.94 (18)	C21A—C19A—H19A	106.4
C1i—Mo1—N1	88.27 (17)	N2—C19B—C21B	111.2 (18)
N1i—Mo1—Mo1i	57.82 (13)	N2—C19B—C20B	124 (2)
N3—Mo1—Mo1i	119.08 (14)	C21B—C19B—C20B	107.7 (16)
N2—Mo1—Mo1i	135.20 (15)	N2—C19B—H19B	103.9
C1—Mo1—Mo1i	55.23 (14)	C21B—C19B—H19B	103.9
C1i—Mo1—Mo1i	49.97 (12)	C20B—C19B—H19B	103.9
N1—Mo1—Mo1i	47.46 (12)	C19B—C20B—H20A	109.5
C1—N1—Mo1i	81.3 (3)	C19B—C20B—H20B	109.5
C1—N1—Mo1	63.5 (3)	H20A—C20B—H20B	109.5
Mo1i—N1—Mo1	74.73 (16)	C19B—C20B—H20C	109.5
C11—N2—C19A	120.8 (6)	H20A—C20B—H20C	109.5
C11—N2—C19B	114.1 (12)	H20B—C20B—H20C	109.5
C11—N2—Mo1	110.8 (4)	C19B—C21B—H21A	109.5
C19A—N2—Mo1	128.2 (6)	C19B—C21B—H21B	109.5
C19B—N2—Mo1	133.1 (13)	H21A—C21B—H21B	109.5
C22A—N3—C30	116.4 (6)	C19B—C21B—H21C	109.5
C22B—N3—C30	128.4 (13)	H21A—C21B—H21C	109.5
C22A—N3—Mo1	129.6 (6)	H21B—C21B—H21C	109.5
C22B—N3—Mo1	115.9 (11)	C23A—C22A—C27A	117.9 (7)
C30—N3—Mo1	113.9 (3)	C23A—C22A—N3	127.9 (8)
N1—C1—C2	129.9 (5)	C27A—C22A—N3	114.2 (7)
N1—C1—Mo1	81.6 (3)	C24A—C23A—C22A	120.3 (9)
C2—C1—Mo1	141.2 (4)	C24A—C23A—H23A	119.9
N1—C1—Mo1i	62.5 (3)	C22A—C23A—H23A	119.9
C2—C1—Mo1i	135.8 (4)	C25A—C24A—C23A	120.8 (9)
Mo1—C1—Mo1i	74.81 (16)	C25A—C24A—C28A	120.5 (8)
C3—C2—C7	119.7 (5)	C23A—C24A—C28A	118.7 (10)
C3—C2—C1	119.8 (5)	C24A—C25A—C26A	121.4 (8)
C7—C2—C1	120.5 (5)	C24A—C25A—H25A	119.3
C2—C3—C4	118.1 (6)	C26A—C25A—H25A	119.3
C2—C3—C8	121.9 (5)	C27A—C26A—C25A	117.3 (9)
C4—C3—C8	120.0 (6)	C27A—C26A—C29A	123.0 (10)
C5—C4—C3	122.7 (6)	C25A—C26A—C29A	119.7 (8)
C5—C4—H4	118.7	C26A—C27A—C22A	122.3 (8)
C3—C4—H4	118.7	C26A—C27A—H27A	118.8
C4—C5—C6	118.7 (5)	C22A—C27A—H27A	118.8
C4—C5—C9	121.3 (7)	C23B—C22B—C27B	119.5 (13)
C6—C5—C9	120.0 (7)	C23B—C22B—N3	115.1 (14)
C5—C6—C7	122.3 (6)	C27B—C22B—N3	125.2 (14)
C5—C6—H6	118.9	C24B—C23B—C22B	120.6 (16)
C7—C6—H6	118.9	C24B—C23B—H23B	119.7
C6—C7—C2	118.3 (6)	C22B—C23B—H23B	119.7
C6—C7—C10	118.3 (6)	C25B—C24B—C23B	118.2 (16)
C2—C7—C10	123.4 (5)	C25B—C24B—C28B	121.6 (16)
C3—C8—H8A	109.5	C23B—C24B—C28B	120.1 (18)
C3—C8—H8B	109.5	C24B—C25B—C26B	124.2 (15)
H8A—C8—H8B	109.5	C24B—C25B—H25B	117.9
C3—C8—H8C	109.5	C26B—C25B—H25B	117.9
H8A—C8—H8C	109.5	C25B—C26B—C27B	116.7 (16)
H8B—C8—H8C	109.5	C25B—C26B—C29B	122.8 (15)
C5—C9—H9A	109.5	C27B—C26B—C29B	120.4 (17)
C5—C9—H9B	109.5	C22B—C27B—C26B	120.7 (15)
H9A—C9—H9B	109.5	C22B—C27B—H27B	119.6
C5—C9—H9C	109.5	C26B—C27B—H27B	119.6
H9A—C9—H9C	109.5	C24B—C28B—H28D	109.5
H9B—C9—H9C	109.5	C24B—C28B—H28E	109.5
C7—C10—H10A	109.5	H28D—C28B—H28E	109.5
C7—C10—H10B	109.5	C24B—C28B—H28F	109.5
H10A—C10—H10B	109.5	H28D—C28B—H28F	109.5
C7—C10—H10C	109.5	H28E—C28B—H28F	109.5
H10A—C10—H10C	109.5	C26B—C29B—H29D	109.5
H10B—C10—H10C	109.5	C26B—C29B—H29E	109.5
N2—C11—C12	125.1 (6)	H29D—C29B—H29E	109.5
N2—C11—C16	118.4 (5)	C26B—C29B—H29F	109.5
C12—C11—C16	116.5 (5)	H29D—C29B—H29F	109.5
C13—C12—C11	121.6 (6)	H29E—C29B—H29F	109.5
C13—C12—H12	119.2	N3—C30—C31	116.4 (5)
C11—C12—H12	119.2	N3—C30—C32	111.2 (5)
C12—C13—C14	119.7 (5)	C31—C30—C32	111.4 (5)
C12—C13—C17	120.7 (7)	N3—C30—H30	105.7
C14—C13—C17	119.5 (6)	C31—C30—H30	105.7
C13—C14—C15	121.4 (6)	C32—C30—H30	105.7
C13—C14—H14	119.3	C30—C31—H31A	109.5
C15—C14—H14	119.3	C30—C31—H31B	109.5
C14—C15—C16	117.7 (6)	H31A—C31—H31B	109.5
C14—C15—C18	122.3 (6)	C30—C31—H31C	109.5
C16—C15—C18	120.0 (5)	H31A—C31—H31C	109.5
C15—C16—C11	122.9 (5)	H31B—C31—H31C	109.5
C15—C16—H16	118.5	C30—C32—H32A	109.5
C11—C16—H16	118.5	C30—C32—H32B	109.5
C13—C17—H17A	109.5	H32A—C32—H32B	109.5
C13—C17—H17B	109.5	C30—C32—H32C	109.5
H17A—C17—H17B	109.5	H32A—C32—H32C	109.5
C13—C17—H17C	109.5	H32B—C32—H32C	109.5
N1i—Mo1—N1—C1	87.8 (3)	C4—C5—C6—C7	3.0 (9)
N3—Mo1—N1—C1	−141.6 (3)	C9—C5—C6—C7	−176.3 (6)
N2—Mo1—N1—C1	−22.3 (5)	C5—C6—C7—C2	0.3 (8)
C1i—Mo1—N1—C1	120.1 (3)	C5—C6—C7—C10	−177.1 (6)
Mo1i—Mo1—N1—C1	87.8 (3)	C3—C2—C7—C6	−4.2 (8)
N1i—Mo1—N1—Mo1i	0.0	C1—C2—C7—C6	175.6 (5)
N3—Mo1—N1—Mo1i	130.57 (16)	C3—C2—C7—C10	173.0 (5)
N2—Mo1—N1—Mo1i	−110.1 (3)	C1—C2—C7—C10	−7.3 (8)
C1—Mo1—N1—Mo1i	−87.8 (3)	C19A—N2—C11—C12	44.6 (9)
C1i—Mo1—N1—Mo1i	32.26 (16)	C19B—N2—C11—C12	64.3 (12)
N1i—Mo1—N2—C11	−178.4 (4)	Mo1—N2—C11—C12	−129.7 (6)
N3—Mo1—N2—C11	52.4 (4)	C19A—N2—C11—C16	−138.3 (7)
C1—Mo1—N2—C11	−77.4 (4)	C19B—N2—C11—C16	−118.6 (11)
C1i—Mo1—N2—C11	159.2 (4)	Mo1—N2—C11—C16	47.4 (6)
N1—Mo1—N2—C11	−63.5 (5)	N2—C11—C12—C13	176.9 (6)
Mo1i—Mo1—N2—C11	−142.5 (3)	C16—C11—C12—C13	−0.3 (9)
N1i—Mo1—N2—C19A	7.8 (6)	C11—C12—C13—C14	−2.5 (10)
N3—Mo1—N2—C19A	−121.3 (6)	C11—C12—C13—C17	177.8 (6)
C1—Mo1—N2—C19A	108.8 (6)	C12—C13—C14—C15	2.6 (9)
C1i—Mo1—N2—C19A	−14.6 (7)	C17—C13—C14—C15	−177.8 (6)
N1—Mo1—N2—C19A	122.7 (7)	C13—C14—C15—C16	0.2 (9)
Mo1i—Mo1—N2—C19A	43.7 (7)	C13—C14—C15—C18	178.4 (6)
N1i—Mo1—N2—C19B	−15.9 (11)	C14—C15—C16—C11	−3.2 (9)
N3—Mo1—N2—C19B	−145.1 (11)	C18—C15—C16—C11	178.5 (6)
C1—Mo1—N2—C19B	85.1 (12)	N2—C11—C16—C15	−174.1 (5)
C1i—Mo1—N2—C19B	−38.3 (12)	C12—C11—C16—C15	3.3 (9)
N1—Mo1—N2—C19B	99.0 (12)	C11—N2—C19A—C20A	38.5 (11)
Mo1i—Mo1—N2—C19B	19.9 (12)	C19B—N2—C19A—C20A	−35 (5)
N1i—Mo1—N3—C22A	−14.6 (8)	Mo1—N2—C19A—C20A	−148.3 (6)
N2—Mo1—N3—C22A	82.9 (7)	C11—N2—C19A—C21A	−88.0 (10)
C1—Mo1—N3—C22A	−148.4 (7)	C19B—N2—C19A—C21A	−162 (6)
C1i—Mo1—N3—C22A	−36.5 (7)	Mo1—N2—C19A—C21A	85.2 (11)
N1—Mo1—N3—C22A	−124.9 (7)	C11—N2—C19B—C21B	−100.4 (19)
Mo1i—Mo1—N3—C22A	−85.0 (7)	C19A—N2—C19B—C21B	15 (4)
N1i—Mo1—N3—C22B	−31.6 (15)	Mo1—N2—C19B—C21B	98 (2)
N2—Mo1—N3—C22B	66.0 (15)	C11—N2—C19B—C20B	31 (3)
C1—Mo1—N3—C22B	−165.3 (15)	C19A—N2—C19B—C20B	146 (7)
C1i—Mo1—N3—C22B	−53.4 (15)	Mo1—N2—C19B—C20B	−131 (2)
N1—Mo1—N3—C22B	−141.8 (15)	C22B—N3—C22A—C23A	−172 (7)
Mo1i—Mo1—N3—C22B	−102.0 (15)	C30—N3—C22A—C23A	−40.2 (16)
N1i—Mo1—N3—C30	162.3 (3)	Mo1—N3—C22A—C23A	136.7 (11)
N2—Mo1—N3—C30	−100.1 (4)	C22B—N3—C22A—C27A	10 (5)
C1—Mo1—N3—C30	28.5 (4)	C30—N3—C22A—C27A	141.9 (9)
C1i—Mo1—N3—C30	140.4 (4)	Mo1—N3—C22A—C27A	−41.2 (14)
N1—Mo1—N3—C30	52.1 (4)	C27A—C22A—C23A—C24A	0.8 (18)
Mo1i—Mo1—N3—C30	91.9 (3)	N3—C22A—C23A—C24A	−177.0 (11)
Mo1i—N1—C1—C2	−128.2 (5)	C22A—C23A—C24A—C25A	−0.4 (16)
Mo1—N1—C1—C2	154.6 (6)	C22A—C23A—C24A—C28A	178.3 (11)
Mo1i—N1—C1—Mo1	77.19 (15)	C23A—C24A—C25A—C26A	0.3 (14)
Mo1—N1—C1—Mo1i	−77.19 (15)	C28A—C24A—C25A—C26A	−178.3 (9)
N1i—Mo1—C1—N1	−100.6 (3)	C24A—C25A—C26A—C27A	−0.7 (14)
N3—Mo1—C1—N1	44.3 (4)	C24A—C25A—C26A—C29A	−179.6 (9)
N2—Mo1—C1—N1	167.4 (3)	C25A—C26A—C27A—C22A	1.1 (15)
C1i—Mo1—C1—N1	−63.7 (3)	C29A—C26A—C27A—C22A	180.0 (11)
Mo1i—Mo1—C1—N1	−63.7 (3)	C23A—C22A—C27A—C26A	−1.2 (18)
N1i—Mo1—C1—C2	111.1 (7)	N3—C22A—C27A—C26A	176.9 (9)
N3—Mo1—C1—C2	−104.0 (7)	C22A—N3—C22B—C23B	10 (4)
N2—Mo1—C1—C2	19.1 (7)	C30—N3—C22B—C23B	−48 (3)
C1i—Mo1—C1—C2	148.0 (8)	Mo1—N3—C22B—C23B	148 (2)
N1—Mo1—C1—C2	−148.3 (9)	C22A—N3—C22B—C27B	−165 (9)
Mo1i—Mo1—C1—C2	148.0 (8)	C30—N3—C22B—C27B	136 (3)
N1i—Mo1—C1—Mo1i	−36.96 (18)	Mo1—N3—C22B—C27B	−27 (4)
N3—Mo1—C1—Mo1i	107.96 (19)	C27B—C22B—C23B—C24B	3(5)
N2—Mo1—C1—Mo1i	−128.88 (19)	N3—C22B—C23B—C24B	−173 (2)
C1i—Mo1—C1—Mo1i	0.0	C22B—C23B—C24B—C25B	0(4)
N1—Mo1—C1—Mo1i	63.7 (3)	C22B—C23B—C24B—C28B	178 (3)
N1—C1—C2—C3	165.0 (5)	C23B—C24B—C25B—C26B	−2(4)
Mo1—C1—C2—C3	−57.7 (8)	C28B—C24B—C25B—C26B	179 (2)
Mo1i—C1—C2—C3	75.2 (7)	C24B—C25B—C26B—C27B	2(4)
N1—C1—C2—C7	−14.8 (8)	C24B—C25B—C26B—C29B	−178 (2)
Mo1—C1—C2—C7	122.6 (6)	C23B—C22B—C27B—C26B	−3(5)
Mo1i—C1—C2—C7	−104.6 (6)	N3—C22B—C27B—C26B	173 (3)
C7—C2—C3—C4	4.8 (8)	C25B—C26B—C27B—C22B	1(4)
C1—C2—C3—C4	−174.9 (5)	C29B—C26B—C27B—C22B	−179 (3)
C7—C2—C3—C8	−173.3 (5)	C22A—N3—C30—C31	72.3 (8)
C1—C2—C3—C8	7.0 (8)	C22B—N3—C30—C31	90.8 (15)
C2—C3—C4—C5	−1.6 (9)	Mo1—N3—C30—C31	−105.1 (4)
C8—C3—C4—C5	176.5 (6)	C22A—N3—C30—C32	−56.7 (8)
C3—C4—C5—C6	−2.3 (9)	C22B—N3—C30—C32	−38.2 (16)
C3—C4—C5—C9	176.9 (6)	Mo1—N3—C30—C32	125.9 (4)