Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270101004164/br1317sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270101004164/br1317Isup2.hkl |
CCDC reference: 166969
The title compound was prepared by the reaction of Mo(CO)6 and dpphen (in a 1:1 molar ratio) in toluene under a nitrogen atmosphere using Schlenk techniques, followed by chromatography over silica gel. Red crystals were formed by diffusion of n-pentane into a benzene solution of the title complex.
H atoms were placed in calculated positions with C—H distances constrained to 0.00–0.00 Å.
Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1994); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: SHELXS97 (Sheldrick, 1997); program(s) used to solve structure: SHELXS97; program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1990); software used to prepare material for publication: SHELXL97.
[Mo(C24H16N2)(CO)4] | F(000) = 1088 |
Mr = 540.37 | Dx = 1.555 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 9.8354 (1) Å | Cell parameters from 39842 reflections |
b = 7.5648 (1) Å | θ = 2.4–27.5° |
c = 31.1172 (4) Å | µ = 0.61 mm−1 |
β = 94.4628 (4)° | T = 123 K |
V = 2308.19 (5) Å3 | Block, red |
Z = 4 | 0.60 × 0.40 × 0.20 mm |
Rigaku R-AXIS RAPID IP diffractometer | 5265 independent reflections |
Radiation source: fine-focus sealed tube | 4055 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.038 |
Detector resolution: 100 x 100 micron pixels mm-1 | θmax = 27.5°, θmin = 2.4° |
Oscillation scans | h = −12→12 |
Absorption correction: empirical (using intensity measurements) (ABSCOR; Higashi, 1995) | k = −9→9 |
Tmin = 0.662, Tmax = 0.807 | l = −40→40 |
39842 measured reflections |
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)] = 0.023 | Hydrogen site location: H atoms are generated by HFIX instructions |
wR(F2) = 0.054 | H-atom parameters constrained |
S = 0.93 | w = 1/[σ2(Fo2) + (0.0329P)2 + 1.7259P] where P = (Fo2 + 2Fc2)/3 |
5265 reflections | (Δ/σ)max = 0.012 |
316 parameters | Δρmax = 0.46 e Å−3 |
0 restraints | Δρmin = −0.61 e Å−3 |
[Mo(C24H16N2)(CO)4] | V = 2308.19 (5) Å3 |
Mr = 540.37 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 9.8354 (1) Å | µ = 0.61 mm−1 |
b = 7.5648 (1) Å | T = 123 K |
c = 31.1172 (4) Å | 0.60 × 0.40 × 0.20 mm |
β = 94.4628 (4)° |
Rigaku R-AXIS RAPID IP diffractometer | 5265 independent reflections |
Absorption correction: empirical (using intensity measurements) (ABSCOR; Higashi, 1995) | 4055 reflections with I > 2σ(I) |
Tmin = 0.662, Tmax = 0.807 | Rint = 0.038 |
39842 measured reflections |
R[F2 > 2σ(F2)] = 0.023 | 0 restraints |
wR(F2) = 0.054 | H-atom parameters constrained |
S = 0.93 | Δρmax = 0.46 e Å−3 |
5265 reflections | Δρmin = −0.61 e Å−3 |
316 parameters |
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 | ||
Mo1 | 0.015428 (13) | 0.15173 (2) | 1.127326 (5) | 0.01763 (5) | |
N1 | 0.18411 (13) | 0.00218 (19) | 1.09929 (4) | 0.0184 (3) | |
N2 | 0.19588 (13) | 0.1581 (2) | 1.17623 (4) | 0.0180 (3) | |
O1 | −0.12608 (13) | −0.1646 (2) | 1.17390 (5) | 0.0396 (4) | |
O2 | −0.21366 (14) | 0.0831 (2) | 1.05392 (5) | 0.0387 (4) | |
O3 | −0.18290 (14) | 0.4062 (2) | 1.17063 (5) | 0.0406 (4) | |
O4 | 0.08051 (13) | 0.49805 (18) | 1.07475 (4) | 0.0320 (3) | |
C1 | −0.06811 (16) | −0.0557 (3) | 1.15779 (6) | 0.0244 (4) | |
C2 | −0.12821 (18) | 0.1111 (2) | 1.08088 (6) | 0.0243 (4) | |
C3 | −0.10983 (18) | 0.3087 (3) | 1.15531 (6) | 0.0252 (4) | |
C4 | 0.06613 (16) | 0.3717 (3) | 1.09405 (6) | 0.0225 (4) | |
C11 | 0.17548 (17) | −0.0833 (2) | 1.06195 (6) | 0.0222 (4) | |
H11 | 0.0910 | −0.0887 | 1.0463 | 0.027* | |
C12 | 0.28584 (16) | −0.1651 (2) | 1.04492 (5) | 0.0218 (4) | |
H12 | 0.2732 | −0.2250 | 1.0188 | 0.026* | |
C13 | 0.41472 (16) | −0.1585 (2) | 1.06643 (5) | 0.0185 (3) | |
C14 | 0.42792 (16) | −0.0625 (2) | 1.10587 (5) | 0.0173 (4) | |
C15 | 0.55449 (16) | −0.0384 (2) | 1.13117 (5) | 0.0191 (4) | |
H15 | 0.6351 | −0.0734 | 1.1199 | 0.023* | |
C16 | 0.55969 (16) | 0.0340 (2) | 1.17094 (5) | 0.0190 (4) | |
H16 | 0.6435 | 0.0430 | 1.1868 | 0.023* | |
C17 | 0.43986 (17) | 0.0975 (2) | 1.18948 (6) | 0.0167 (4) | |
C18 | 0.43617 (16) | 0.1568 (2) | 1.23265 (5) | 0.0179 (3) | |
C19 | 0.31203 (16) | 0.2113 (2) | 1.24559 (6) | 0.0199 (4) | |
H19 | 0.3052 | 0.2461 | 1.2740 | 0.024* | |
C20 | 0.19647 (16) | 0.2148 (2) | 1.21655 (6) | 0.0203 (4) | |
H20 | 0.1158 | 0.2593 | 1.2260 | 0.024* | |
C21 | 0.31595 (16) | 0.0932 (2) | 1.16316 (6) | 0.0167 (4) | |
C22 | 0.30986 (16) | 0.0114 (2) | 1.12136 (5) | 0.0168 (4) | |
C23 | 0.53015 (16) | −0.2507 (2) | 1.04845 (6) | 0.0206 (4) | |
C24 | 0.61972 (17) | −0.3574 (3) | 1.07430 (6) | 0.0245 (4) | |
H24 | 0.6055 | −0.3731 | 1.1033 | 0.029* | |
C25 | 0.72879 (19) | −0.4394 (3) | 1.05726 (6) | 0.0291 (5) | |
H25 | 0.7870 | −0.5108 | 1.0747 | 0.035* | |
C26 | 0.75152 (19) | −0.4156 (3) | 1.01437 (7) | 0.0315 (5) | |
H26 | 0.8272 | −0.4667 | 1.0032 | 0.038* | |
C27 | 0.66103 (19) | −0.3153 (3) | 0.98811 (6) | 0.0291 (4) | |
H27 | 0.6747 | −0.3024 | 0.9590 | 0.035* | |
C28 | 0.55114 (17) | −0.2345 (2) | 1.00474 (6) | 0.0238 (4) | |
H28 | 0.4905 | −0.1687 | 0.9867 | 0.029* | |
C29 | 0.55871 (16) | 0.1560 (2) | 1.26411 (5) | 0.0186 (3) | |
C30 | 0.68178 (17) | 0.2293 (2) | 1.25402 (6) | 0.0209 (4) | |
H30 | 0.6884 | 0.2815 | 1.2272 | 0.025* | |
C31 | 0.79521 (17) | 0.2253 (3) | 1.28361 (6) | 0.0243 (4) | |
H31 | 0.8772 | 0.2743 | 1.2765 | 0.029* | |
C32 | 0.78649 (17) | 0.1488 (3) | 1.32361 (6) | 0.0260 (4) | |
H32 | 0.8628 | 0.1443 | 1.3432 | 0.031* | |
C33 | 0.66363 (18) | 0.0788 (2) | 1.33445 (6) | 0.0242 (4) | |
H33 | 0.6572 | 0.0287 | 1.3615 | 0.029* | |
C34 | 0.54974 (18) | 0.0831 (2) | 1.30492 (6) | 0.0208 (4) | |
H34 | 0.4672 | 0.0370 | 1.3125 | 0.025* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Mo1 | 0.01445 (7) | 0.02069 (8) | 0.01791 (8) | 0.00202 (7) | 0.00224 (5) | 0.00242 (8) |
N1 | 0.0166 (7) | 0.0204 (8) | 0.0182 (7) | 0.0014 (6) | 0.0017 (6) | 0.0024 (7) |
N2 | 0.0181 (6) | 0.0178 (7) | 0.0183 (7) | 0.0025 (7) | 0.0026 (6) | 0.0007 (7) |
O1 | 0.0240 (7) | 0.0405 (9) | 0.0552 (10) | 0.0008 (7) | 0.0093 (7) | 0.0230 (9) |
O2 | 0.0366 (8) | 0.0465 (9) | 0.0307 (8) | −0.0072 (7) | −0.0126 (7) | 0.0056 (7) |
O3 | 0.0450 (9) | 0.0352 (8) | 0.0452 (9) | 0.0137 (7) | 0.0270 (8) | 0.0069 (7) |
O4 | 0.0337 (7) | 0.0299 (8) | 0.0334 (8) | −0.0012 (6) | 0.0098 (7) | 0.0077 (7) |
C1 | 0.0138 (8) | 0.0309 (11) | 0.0280 (10) | 0.0073 (8) | −0.0010 (8) | 0.0047 (9) |
C2 | 0.0218 (8) | 0.0241 (10) | 0.0276 (10) | 0.0006 (8) | 0.0065 (8) | 0.0044 (8) |
C3 | 0.0238 (9) | 0.0280 (11) | 0.0242 (10) | −0.0008 (8) | 0.0043 (8) | 0.0073 (8) |
C4 | 0.0192 (8) | 0.0282 (11) | 0.0205 (9) | 0.0030 (8) | 0.0039 (7) | −0.0024 (9) |
C11 | 0.0217 (9) | 0.0231 (9) | 0.0211 (9) | 0.0007 (8) | −0.0019 (7) | 0.0002 (8) |
C12 | 0.0267 (8) | 0.0218 (9) | 0.0168 (8) | 0.0007 (8) | 0.0016 (7) | −0.0027 (8) |
C13 | 0.0197 (7) | 0.0177 (8) | 0.0184 (8) | 0.0005 (8) | 0.0035 (7) | 0.0024 (8) |
C14 | 0.0185 (8) | 0.0183 (8) | 0.0155 (8) | 0.0001 (7) | 0.0043 (7) | 0.0027 (7) |
C15 | 0.0140 (7) | 0.0221 (9) | 0.0216 (9) | 0.0019 (7) | 0.0040 (7) | 0.0013 (8) |
C16 | 0.0157 (8) | 0.0215 (9) | 0.0197 (9) | 0.0007 (7) | 0.0020 (7) | 0.0006 (8) |
C17 | 0.0178 (8) | 0.0147 (8) | 0.0179 (9) | −0.0007 (7) | 0.0029 (7) | 0.0018 (7) |
C18 | 0.0209 (8) | 0.0150 (8) | 0.0180 (8) | −0.0010 (8) | 0.0025 (7) | 0.0003 (8) |
C19 | 0.0226 (8) | 0.0206 (9) | 0.0170 (9) | −0.0011 (7) | 0.0045 (7) | −0.0023 (8) |
C20 | 0.0179 (8) | 0.0212 (9) | 0.0224 (9) | 0.0030 (7) | 0.0062 (7) | −0.0007 (8) |
C21 | 0.0152 (8) | 0.0165 (8) | 0.0188 (9) | −0.0003 (7) | 0.0037 (7) | 0.0024 (7) |
C22 | 0.0164 (7) | 0.0161 (8) | 0.0180 (9) | −0.0009 (7) | 0.0018 (7) | 0.0028 (7) |
C23 | 0.0239 (8) | 0.0175 (9) | 0.0205 (9) | −0.0003 (8) | 0.0029 (7) | −0.0018 (8) |
C24 | 0.0291 (9) | 0.0234 (9) | 0.0212 (9) | 0.0035 (9) | 0.0030 (7) | 0.0000 (9) |
C25 | 0.0289 (10) | 0.0271 (10) | 0.0311 (11) | 0.0089 (9) | 0.0011 (9) | −0.0003 (9) |
C26 | 0.0293 (10) | 0.0289 (10) | 0.0375 (12) | 0.0073 (9) | 0.0098 (9) | −0.0085 (10) |
C27 | 0.0364 (10) | 0.0298 (11) | 0.0223 (10) | 0.0003 (9) | 0.0098 (8) | −0.0048 (9) |
C28 | 0.0281 (9) | 0.0214 (9) | 0.0221 (9) | 0.0021 (8) | 0.0033 (8) | −0.0010 (8) |
C29 | 0.0218 (8) | 0.0155 (8) | 0.0183 (8) | 0.0009 (8) | 0.0015 (7) | −0.0040 (8) |
C30 | 0.0232 (8) | 0.0197 (9) | 0.0200 (9) | 0.0012 (8) | 0.0025 (7) | −0.0010 (8) |
C31 | 0.0204 (8) | 0.0245 (9) | 0.0283 (10) | −0.0026 (8) | 0.0028 (8) | −0.0047 (9) |
C32 | 0.0258 (9) | 0.0246 (9) | 0.0264 (10) | 0.0033 (9) | −0.0053 (8) | −0.0044 (10) |
C33 | 0.0334 (10) | 0.0224 (9) | 0.0168 (9) | 0.0042 (8) | 0.0012 (8) | −0.0012 (8) |
C34 | 0.0230 (9) | 0.0196 (9) | 0.0202 (9) | −0.0001 (8) | 0.0037 (8) | −0.0029 (8) |
Mo1—C3 | 1.963 (2) | C15—C16 | 1.351 (2) |
Mo1—C2 | 1.965 (2) | C16—C17 | 1.434 (2) |
Mo1—C1 | 2.039 (2) | C17—C21 | 1.415 (2) |
Mo1—C4 | 2.042 (2) | C17—C18 | 1.419 (2) |
Mo1—N1 | 2.2402 (14) | C18—C19 | 1.378 (2) |
Mo1—N2 | 2.2468 (15) | C18—C29 | 1.492 (2) |
N1—C11 | 1.327 (2) | C19—C20 | 1.396 (2) |
N1—C22 | 1.369 (2) | C21—C22 | 1.437 (2) |
N2—C20 | 1.326 (2) | C23—C28 | 1.397 (3) |
N2—C21 | 1.369 (2) | C23—C24 | 1.402 (2) |
O1—C1 | 1.140 (2) | C24—C25 | 1.380 (2) |
O2—C2 | 1.160 (2) | C25—C26 | 1.382 (3) |
O3—C3 | 1.158 (2) | C26—C27 | 1.387 (3) |
O4—C4 | 1.143 (2) | C27—C28 | 1.377 (2) |
C11—C12 | 1.390 (2) | C29—C30 | 1.389 (2) |
C12—C13 | 1.388 (2) | C29—C34 | 1.394 (2) |
C13—C14 | 1.423 (2) | C30—C31 | 1.391 (2) |
C13—C23 | 1.479 (2) | C31—C32 | 1.381 (3) |
C14—C22 | 1.407 (2) | C32—C33 | 1.385 (3) |
C14—C15 | 1.432 (2) | C33—C34 | 1.393 (2) |
C3—Mo1—C2 | 88.90 (8) | C16—C15—C14 | 121.65 (16) |
C3—Mo1—C1 | 88.28 (8) | C15—C16—C17 | 122.03 (15) |
C2—Mo1—C1 | 85.93 (7) | C21—C17—C18 | 118.09 (15) |
C3—Mo1—C4 | 85.30 (7) | C21—C17—C16 | 117.21 (15) |
C2—Mo1—C4 | 86.82 (7) | C18—C17—C16 | 124.65 (15) |
C1—Mo1—C4 | 170.40 (6) | C19—C18—C17 | 117.35 (15) |
C3—Mo1—N1 | 170.97 (7) | C19—C18—C29 | 119.87 (15) |
C2—Mo1—N1 | 98.42 (6) | C17—C18—C29 | 122.74 (14) |
C1—Mo1—N1 | 97.46 (7) | C18—C19—C20 | 120.78 (16) |
C4—Mo1—N1 | 89.81 (6) | N2—C20—C19 | 123.34 (15) |
C3—Mo1—N2 | 100.17 (7) | N2—C21—C17 | 122.93 (16) |
C2—Mo1—N2 | 170.52 (7) | N2—C21—C22 | 116.55 (15) |
C1—Mo1—N2 | 91.56 (6) | C17—C21—C22 | 120.46 (15) |
C4—Mo1—N2 | 96.59 (6) | N1—C22—C14 | 123.04 (15) |
N1—Mo1—N2 | 72.82 (5) | N1—C22—C21 | 116.63 (15) |
C11—N1—C22 | 117.26 (15) | C14—C22—C21 | 120.24 (15) |
C11—N1—Mo1 | 126.04 (11) | C28—C23—C24 | 118.39 (16) |
C22—N1—Mo1 | 116.51 (11) | C28—C23—C13 | 120.21 (16) |
C20—N2—C21 | 117.19 (14) | C24—C23—C13 | 121.40 (16) |
C20—N2—Mo1 | 126.38 (11) | C25—C24—C23 | 120.73 (17) |
C21—N2—Mo1 | 116.42 (11) | C26—C25—C24 | 120.07 (18) |
O1—C1—Mo1 | 173.75 (14) | C25—C26—C27 | 119.74 (18) |
O2—C2—Mo1 | 178.30 (16) | C28—C27—C26 | 120.52 (18) |
O3—C3—Mo1 | 177.38 (16) | C27—C28—C23 | 120.45 (17) |
O4—C4—Mo1 | 173.00 (15) | C30—C29—C34 | 118.81 (16) |
N1—C11—C12 | 123.53 (16) | C30—C29—C18 | 121.57 (15) |
C13—C12—C11 | 120.75 (16) | C34—C29—C18 | 119.61 (15) |
C12—C13—C14 | 116.94 (15) | C31—C30—C29 | 120.66 (17) |
C12—C13—C23 | 119.99 (15) | C32—C31—C30 | 120.19 (17) |
C14—C13—C23 | 123.06 (14) | C31—C32—C33 | 119.76 (16) |
C22—C14—C13 | 118.41 (14) | C32—C33—C34 | 120.16 (17) |
C22—C14—C15 | 117.79 (15) | C33—C34—C29 | 120.38 (17) |
C13—C14—C15 | 123.80 (15) |
Experimental details
Crystal data | |
Chemical formula | [Mo(C24H16N2)(CO)4] |
Mr | 540.37 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 123 |
a, b, c (Å) | 9.8354 (1), 7.5648 (1), 31.1172 (4) |
β (°) | 94.4628 (4) |
V (Å3) | 2308.19 (5) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 0.61 |
Crystal size (mm) | 0.60 × 0.40 × 0.20 |
Data collection | |
Diffractometer | Rigaku R-AXIS RAPID IP diffractometer |
Absorption correction | Empirical (using intensity measurements) (ABSCOR; Higashi, 1995) |
Tmin, Tmax | 0.662, 0.807 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 39842, 5265, 4055 |
Rint | 0.038 |
(sin θ/λ)max (Å−1) | 0.649 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.023, 0.054, 0.93 |
No. of reflections | 5265 |
No. of parameters | 316 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.46, −0.61 |
Computer programs: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1994), MSC/AFC Diffractometer Control Software, SHELXS97 (Sheldrick, 1997), SHELXS97, SHELXL97 (Sheldrick, 1997), XP (Siemens, 1990), SHELXL97.
Mo1—C3 | 1.963 (2) | Mo1—C4 | 2.042 (2) |
Mo1—C2 | 1.965 (2) | Mo1—N1 | 2.2402 (14) |
Mo1—C1 | 2.039 (2) | Mo1—N2 | 2.2468 (15) |
C3—Mo1—C2 | 88.90 (8) | C1—Mo1—N1 | 97.46 (7) |
C3—Mo1—C1 | 88.28 (8) | C4—Mo1—N1 | 89.81 (6) |
C2—Mo1—C1 | 85.93 (7) | C3—Mo1—N2 | 100.17 (7) |
C3—Mo1—C4 | 85.30 (7) | C2—Mo1—N2 | 170.52 (7) |
C2—Mo1—C4 | 86.82 (7) | C1—Mo1—N2 | 91.56 (6) |
C1—Mo1—C4 | 170.40 (6) | C4—Mo1—N2 | 96.59 (6) |
C3—Mo1—N1 | 170.97 (7) | N1—Mo1—N2 | 72.82 (5) |
C2—Mo1—N1 | 98.42 (6) |
As a precursor, [M(L—L)(CO)4] [M = Mo or W, L—L = 1,10-phenanthroline (phen) or 2,2'-bipyridine (bipy); Stiddard et al., 1962] reacted with fullerene to form stable molybdenum or tungsten complexes of fullerene [M(eta2-C60)(L—L)(CO)3] (Tang et al., 1996). These complexes are only sparingly soluble in chlorobenzene and o-dichlorobenzene. Crystals suitable for X-ray diffraction have not been obtained. However, when one carbonyl group of [M(eta2-C60)(phen)(CO)3] was displaced by dibutyl maleate (dbm), the resulting complexes [M(eta2-C60)(phen)(dbm)(CO)3] have good solubilities in a number of organic solvents and their crystal structures were determined by X-ray diffraction (Tang et al., 1997). If dbm is replaced by another C60 ligand, we can obtain dumb-bell complexes [M(eta2-C60)2(L—L)(CO)3], which are expected to have better optical or electric properties than [M(eta2-C60)(phen)(dbm)(CO)2] (Zhang et al., 1998). But the key problem is still the poor solubility of the dumb-bell complex, so that they are difficult to analyse and use in applications. However, when two phenyl groups were introduced into 1,10-phenanthroline, we obtained the title complex, (I), which has much better solubility in aromatic sovents compared with [Mo(phen)(CO)4]. It could be the precursor for further reaction with fullerenes to obtain complexes which are expected to have good solubility.
The structure determination of (I) indicated that the Mo-atom coordination is distorted octahedral, with two CO groups cis to each other, but each trans to an N atom of dpphen (Fig. 1). The C2—Mo1—N2 and C3—Mo1—N1 bond angles are 170.45 (8) and 170.92 (9)°, respectively. Atoms C2, C3, N1, N2 and Mo1 are in the equatorial plane, coplanar to within 0.07 Å. The dihedral angle between the phen and C2/C3/N1/N2/Mo1 planes is 10.70 (8) Å. The two phenyl groups make angles of 42.45 and 54.05° with the phen plane. The other two CO groups are trans to each other and on the axis position of the distorted octahedron.