Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805010573/lh6398sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805010573/lh6398Isup2.hkl |
CCDC reference: 262579
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.008 Å
- R factor = 0.035
- wR factor = 0.092
- Data-to-parameter ratio = 16.3
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT328_ALERT_2_B Check for Possibly Missing H on sp3? Phosphor .. P1 PLAT328_ALERT_2_B Check for Possibly Missing H on sp3? Phosphor .. P2
Alert level C PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.13 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.50 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mo2 - C4 .. 6.06 su
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: WinGX (Farrugia, 2005); software used to prepare material for publication: WinGX.
[Mo2(P2)(CO)4(C8H9O2)2] | F(000) = 2528 |
Mr = 640.16 | Dx = 1.840 Mg m−3 |
Monoclinic, C2/c | Melting point = 403.5–404.6 K |
Hall symbol: -C 2yc | Mo Kα radiation, λ = 0.71073 Å |
a = 25.705 (9) Å | Cell parameters from 923 reflections |
b = 7.912 (4) Å | θ = 2.7–26.3° |
c = 24.636 (8) Å | µ = 1.27 mm−1 |
β = 112.742 (8)° | T = 293 K |
V = 4621 (3) Å3 | Block, red |
Z = 8 | 0.14 × 0.12 × 0.10 mm |
Bruker SMART 1000 CCD area detector diffractometer | 4733 independent reflections |
Radiation source: fine-focus sealed tube | 3509 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.047 |
φ and ω scans | θmax = 26.5°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −31→32 |
Tmin = 0.812, Tmax = 0.874 | k = −8→9 |
12842 measured reflections | l = −30→15 |
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)] = 0.035 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.092 | H-atom parameters constrained |
S = 1.06 | w = 1/[σ2(Fo2) + (0.041P)2] where P = (Fo2 + 2Fc2)/3 |
4733 reflections | (Δ/σ)max < 0.001 |
291 parameters | Δρmax = 0.63 e Å−3 |
0 restraints | Δρmin = −0.63 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 | ||
Mo1 | 0.121412 (15) | 0.27684 (5) | 0.107698 (16) | 0.02616 (11) | |
Mo2 | 0.141987 (15) | 0.19173 (5) | 0.233715 (16) | 0.02670 (11) | |
P1 | 0.21329 (5) | 0.18030 (18) | 0.18949 (6) | 0.0379 (3) | |
P2 | 0.18679 (5) | 0.42665 (17) | 0.19554 (6) | 0.0385 (3) | |
C1 | 0.1800 (2) | 0.3184 (7) | 0.0748 (2) | 0.0455 (13) | |
O1 | 0.21245 (18) | 0.3509 (7) | 0.0552 (2) | 0.0833 (15) | |
C2 | 0.1260 (2) | 0.0292 (7) | 0.0954 (2) | 0.0366 (11) | |
O2 | 0.12509 (16) | −0.1115 (5) | 0.08534 (17) | 0.0588 (11) | |
C3 | 0.0995 (2) | 0.4026 (7) | 0.2339 (2) | 0.0431 (12) | |
O3 | 0.07326 (19) | 0.5181 (5) | 0.23544 (18) | 0.0683 (12) | |
C4 | 0.2044 (2) | 0.2683 (7) | 0.3071 (2) | 0.0450 (13) | |
O4 | 0.23961 (18) | 0.3040 (6) | 0.35133 (17) | 0.0777 (14) | |
O5 | 0.03217 (17) | 0.1397 (5) | −0.06177 (16) | 0.0640 (11) | |
O6 | 0.08267 (16) | 0.3731 (5) | −0.05900 (15) | 0.0539 (10) | |
O7 | 0.06187 (15) | 0.2016 (5) | 0.34184 (16) | 0.0551 (10) | |
O8 | 0.14667 (15) | 0.0845 (5) | 0.39121 (14) | 0.0516 (10) | |
C5 | 0.05291 (19) | 0.3331 (6) | 0.01778 (19) | 0.0345 (11) | |
C6 | 0.02511 (18) | 0.2508 (6) | 0.0510 (2) | 0.0372 (11) | |
H6 | 0.0077 | 0.1454 | 0.0430 | 0.045* | |
C7 | 0.02880 (18) | 0.3574 (7) | 0.0978 (2) | 0.0396 (12) | |
H7 | 0.0142 | 0.3347 | 0.1261 | 0.048* | |
C8 | 0.05840 (19) | 0.5049 (6) | 0.0947 (2) | 0.0373 (12) | |
H8 | 0.0669 | 0.5952 | 0.1208 | 0.045* | |
C9 | 0.0729 (2) | 0.4917 (6) | 0.0452 (2) | 0.0363 (11) | |
H9 | 0.0920 | 0.5725 | 0.0326 | 0.044* | |
C10 | 0.0544 (2) | 0.2677 (7) | −0.0384 (2) | 0.0425 (13) | |
C11 | 0.0863 (3) | 0.3317 (10) | −0.1152 (3) | 0.082 (2) | |
H11A | 0.0809 | 0.2112 | −0.1225 | 0.098* | |
H11B | 0.0569 | 0.3907 | −0.1469 | 0.098* | |
C12 | 0.1414 (4) | 0.3811 (10) | −0.1138 (3) | 0.101 (3) | |
H12A | 0.1464 | 0.5007 | −0.1071 | 0.151* | |
H12B | 0.1438 | 0.3535 | −0.1507 | 0.151* | |
H12C | 0.1703 | 0.3219 | −0.0826 | 0.151* | |
C13 | 0.10593 (18) | 0.0424 (6) | 0.2902 (2) | 0.0331 (11) | |
C14 | 0.06331 (19) | 0.0475 (6) | 0.2325 (2) | 0.0382 (12) | |
H14 | 0.0289 | 0.1030 | 0.2215 | 0.046* | |
C15 | 0.0817 (2) | −0.0446 (6) | 0.1949 (2) | 0.0375 (12) | |
H15 | 0.0615 | −0.0620 | 0.1549 | 0.045* | |
C16 | 0.1364 (2) | −0.1067 (6) | 0.2281 (2) | 0.0407 (12) | |
H16 | 0.1585 | −0.1705 | 0.2136 | 0.049* | |
C17 | 0.1515 (2) | −0.0552 (6) | 0.2870 (2) | 0.0375 (11) | |
H17 | 0.1851 | −0.0803 | 0.3182 | 0.045* | |
C18 | 0.1012 (2) | 0.1199 (7) | 0.3426 (2) | 0.0398 (12) | |
C19 | 0.1468 (3) | 0.1469 (9) | 0.4470 (2) | 0.0670 (18) | |
H19A | 0.1486 | 0.2694 | 0.4481 | 0.080* | |
H19B | 0.1128 | 0.1117 | 0.4519 | 0.080* | |
C20 | 0.1962 (3) | 0.0756 (12) | 0.4932 (3) | 0.103 (3) | |
H20A | 0.1906 | −0.0433 | 0.4965 | 0.154* | |
H20B | 0.2019 | 0.1300 | 0.5299 | 0.154* | |
H20C | 0.2287 | 0.0928 | 0.4837 | 0.154* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Mo1 | 0.0248 (2) | 0.0269 (2) | 0.0238 (2) | −0.00008 (16) | 0.00613 (15) | 0.00043 (16) |
Mo2 | 0.0238 (2) | 0.0298 (2) | 0.0241 (2) | −0.00153 (16) | 0.00674 (16) | 0.00047 (15) |
P1 | 0.0233 (6) | 0.0539 (9) | 0.0336 (7) | 0.0039 (6) | 0.0079 (5) | 0.0064 (6) |
P2 | 0.0392 (7) | 0.0411 (8) | 0.0304 (7) | −0.0150 (6) | 0.0082 (6) | −0.0029 (5) |
C1 | 0.043 (3) | 0.055 (4) | 0.035 (3) | −0.005 (3) | 0.012 (2) | −0.001 (2) |
O1 | 0.067 (3) | 0.122 (4) | 0.081 (3) | −0.010 (3) | 0.051 (3) | 0.012 (3) |
C2 | 0.036 (3) | 0.043 (3) | 0.030 (3) | 0.001 (2) | 0.012 (2) | −0.002 (2) |
O2 | 0.070 (3) | 0.035 (2) | 0.074 (3) | 0.000 (2) | 0.031 (2) | −0.0149 (19) |
C3 | 0.057 (3) | 0.037 (3) | 0.033 (3) | 0.004 (3) | 0.016 (2) | −0.001 (2) |
O3 | 0.089 (3) | 0.050 (3) | 0.073 (3) | 0.023 (2) | 0.040 (3) | 0.000 (2) |
C4 | 0.049 (3) | 0.049 (3) | 0.036 (3) | −0.010 (3) | 0.015 (3) | 0.007 (2) |
O4 | 0.066 (3) | 0.108 (4) | 0.035 (2) | −0.034 (3) | −0.007 (2) | −0.006 (2) |
O5 | 0.078 (3) | 0.056 (3) | 0.045 (2) | −0.007 (2) | 0.009 (2) | −0.019 (2) |
O6 | 0.078 (3) | 0.054 (2) | 0.035 (2) | −0.001 (2) | 0.028 (2) | −0.0057 (18) |
O7 | 0.044 (2) | 0.075 (3) | 0.049 (2) | 0.003 (2) | 0.0208 (18) | −0.0108 (19) |
O8 | 0.053 (2) | 0.074 (3) | 0.026 (2) | 0.002 (2) | 0.0145 (17) | −0.0008 (17) |
C5 | 0.034 (2) | 0.033 (3) | 0.027 (2) | 0.002 (2) | 0.001 (2) | 0.0024 (19) |
C6 | 0.025 (2) | 0.038 (3) | 0.039 (3) | −0.002 (2) | 0.002 (2) | 0.002 (2) |
C7 | 0.026 (2) | 0.053 (3) | 0.038 (3) | 0.010 (2) | 0.010 (2) | 0.008 (2) |
C8 | 0.038 (3) | 0.035 (3) | 0.034 (3) | 0.013 (2) | 0.009 (2) | 0.000 (2) |
C9 | 0.039 (3) | 0.033 (3) | 0.029 (3) | 0.006 (2) | 0.006 (2) | 0.007 (2) |
C10 | 0.040 (3) | 0.044 (3) | 0.030 (3) | 0.012 (2) | −0.002 (2) | 0.000 (2) |
C11 | 0.119 (6) | 0.095 (6) | 0.041 (4) | 0.024 (5) | 0.042 (4) | −0.005 (3) |
C12 | 0.164 (9) | 0.083 (6) | 0.089 (6) | 0.008 (6) | 0.085 (6) | −0.003 (4) |
C13 | 0.028 (2) | 0.039 (3) | 0.032 (3) | −0.002 (2) | 0.012 (2) | 0.006 (2) |
C14 | 0.026 (2) | 0.048 (3) | 0.041 (3) | −0.006 (2) | 0.014 (2) | 0.002 (2) |
C15 | 0.039 (3) | 0.040 (3) | 0.032 (3) | −0.012 (2) | 0.012 (2) | −0.003 (2) |
C16 | 0.046 (3) | 0.028 (3) | 0.053 (3) | 0.001 (2) | 0.025 (3) | 0.003 (2) |
C17 | 0.038 (3) | 0.038 (3) | 0.036 (3) | 0.001 (2) | 0.012 (2) | 0.011 (2) |
C18 | 0.040 (3) | 0.047 (3) | 0.038 (3) | −0.008 (2) | 0.021 (2) | 0.003 (2) |
C19 | 0.084 (5) | 0.084 (5) | 0.036 (3) | −0.008 (4) | 0.027 (3) | −0.006 (3) |
C20 | 0.099 (6) | 0.165 (9) | 0.035 (4) | 0.001 (6) | 0.015 (4) | −0.004 (4) |
Mo1—C2 | 1.993 (6) | C5—C6 | 1.435 (7) |
Mo1—C1 | 1.995 (6) | C5—C10 | 1.491 (7) |
Mo1—C5 | 2.278 (4) | C6—C7 | 1.400 (7) |
Mo1—C9 | 2.310 (4) | C6—H6 | 0.9300 |
Mo1—C6 | 2.334 (4) | C7—C8 | 1.411 (7) |
Mo1—C8 | 2.362 (5) | C7—H7 | 0.9300 |
Mo1—C7 | 2.384 (4) | C8—C9 | 1.409 (6) |
Mo1—Mo2 | 3.0170 (11) | C8—H8 | 0.9300 |
Mo1—P1 | 2.5577 (14) | C9—H9 | 0.9300 |
Mo1—P2 | 2.4700 (14) | C11—C12 | 1.455 (10) |
Mo2—C4 | 1.992 (5) | C11—H11A | 0.9700 |
Mo2—C3 | 1.994 (5) | C11—H11B | 0.9700 |
Mo2—C13 | 2.278 (4) | C12—H12A | 0.9600 |
Mo2—C14 | 2.312 (4) | C12—H12B | 0.9600 |
Mo2—C17 | 2.313 (5) | C12—H12C | 0.9600 |
Mo2—C16 | 2.366 (5) | C13—C14 | 1.422 (6) |
Mo2—C15 | 2.380 (5) | C13—C17 | 1.430 (6) |
Mo2—P1 | 2.4695 (14) | C13—C18 | 1.476 (7) |
Mo2—P2 | 2.5502 (15) | C14—C15 | 1.397 (7) |
P1—P2 | 2.089 (2) | C14—H14 | 0.9300 |
C1—O1 | 1.143 (6) | C15—C16 | 1.412 (7) |
C2—O2 | 1.139 (6) | C15—H15 | 0.9300 |
C3—O3 | 1.146 (6) | C16—C17 | 1.409 (6) |
C4—O4 | 1.150 (6) | C16—H16 | 0.9300 |
O5—C10 | 1.195 (6) | C17—H17 | 0.9300 |
O6—C10 | 1.329 (6) | C19—C20 | 1.451 (9) |
O6—C11 | 1.462 (6) | C19—H19A | 0.9700 |
O7—C18 | 1.194 (6) | C19—H19B | 0.9700 |
O8—C18 | 1.340 (6) | C20—H20A | 0.9600 |
O8—C19 | 1.459 (6) | C20—H20B | 0.9600 |
C5—C9 | 1.424 (6) | C20—H20C | 0.9600 |
C2—Mo1—C1 | 90.1 (2) | O1—C1—Mo1 | 176.3 (5) |
C2—Mo1—C5 | 96.49 (18) | O2—C2—Mo1 | 175.3 (4) |
C1—Mo1—C5 | 89.64 (19) | O3—C3—Mo2 | 175.8 (5) |
C2—Mo1—C9 | 132.12 (18) | O4—C4—Mo2 | 175.6 (5) |
C1—Mo1—C9 | 84.6 (2) | C10—O6—C11 | 117.8 (5) |
C5—Mo1—C9 | 36.14 (16) | C18—O8—C19 | 117.0 (4) |
C2—Mo1—C6 | 86.19 (18) | C9—C5—C6 | 107.3 (4) |
C1—Mo1—C6 | 124.36 (18) | C9—C5—C10 | 127.7 (5) |
C5—Mo1—C6 | 36.22 (17) | C6—C5—C10 | 124.7 (4) |
C9—Mo1—C6 | 59.43 (17) | C9—C5—Mo1 | 73.1 (3) |
C2—Mo1—C8 | 143.89 (18) | C6—C5—Mo1 | 74.0 (2) |
C1—Mo1—C8 | 113.9 (2) | C10—C5—Mo1 | 123.2 (3) |
C5—Mo1—C8 | 59.14 (17) | C7—C6—C5 | 107.8 (4) |
C9—Mo1—C8 | 35.09 (16) | C7—C6—Mo1 | 74.7 (3) |
C6—Mo1—C8 | 58.21 (17) | C5—C6—Mo1 | 69.8 (2) |
C2—Mo1—C7 | 111.25 (19) | C7—C6—H6 | 126.1 |
C1—Mo1—C7 | 142.67 (19) | C5—C6—H6 | 126.1 |
C5—Mo1—C7 | 58.81 (17) | Mo1—C6—H6 | 121.2 |
C9—Mo1—C7 | 58.26 (17) | C6—C7—C8 | 108.7 (4) |
C6—Mo1—C7 | 34.51 (16) | C6—C7—Mo1 | 70.8 (3) |
C8—Mo1—C7 | 34.59 (17) | C8—C7—Mo1 | 71.9 (3) |
C2—Mo1—P2 | 123.01 (14) | C6—C7—H7 | 125.7 |
C1—Mo1—P2 | 84.96 (15) | C8—C7—H7 | 125.7 |
C5—Mo1—P2 | 140.05 (13) | Mo1—C7—H7 | 123.3 |
C9—Mo1—P2 | 103.90 (13) | C9—C8—C7 | 108.3 (4) |
C6—Mo1—P2 | 140.49 (13) | C9—C8—Mo1 | 70.4 (3) |
C8—Mo1—P2 | 87.20 (13) | C7—C8—Mo1 | 73.5 (3) |
C7—Mo1—P2 | 106.02 (13) | C9—C8—H8 | 125.9 |
C2—Mo1—P1 | 74.66 (14) | C7—C8—H8 | 125.9 |
C1—Mo1—P1 | 75.95 (15) | Mo1—C8—H8 | 121.8 |
C5—Mo1—P1 | 162.86 (13) | C8—C9—C5 | 107.9 (4) |
C9—Mo1—P1 | 147.31 (13) | C8—C9—Mo1 | 74.5 (3) |
C6—Mo1—P1 | 152.58 (12) | C5—C9—Mo1 | 70.7 (3) |
C8—Mo1—P1 | 135.31 (12) | C8—C9—H9 | 126.0 |
C7—Mo1—P1 | 137.91 (12) | C5—C9—H9 | 126.0 |
P1—Mo1—P2 | 49.06 (5) | Mo1—C9—H9 | 120.5 |
C2—Mo1—Mo2 | 86.56 (13) | O5—C10—O6 | 125.3 (5) |
C1—Mo1—Mo2 | 126.56 (14) | O5—C10—C5 | 124.2 (5) |
C5—Mo1—Mo2 | 143.74 (12) | O6—C10—C5 | 110.5 (4) |
C9—Mo1—Mo2 | 133.25 (12) | C12—C11—O6 | 109.5 (6) |
C6—Mo1—Mo2 | 108.62 (12) | C12—C11—H11A | 109.8 |
C8—Mo1—Mo2 | 98.54 (12) | O6—C11—H11A | 109.8 |
C7—Mo1—Mo2 | 86.35 (12) | C12—C11—H11B | 109.8 |
P1—Mo1—Mo2 | 51.79 (3) | O6—C11—H11B | 109.8 |
P2—Mo1—Mo2 | 54.29 (4) | H11A—C11—H11B | 108.2 |
C4—Mo2—C3 | 89.6 (2) | C11—C12—H12A | 109.5 |
C4—Mo2—C13 | 88.73 (18) | C11—C12—H12B | 109.5 |
C3—Mo2—C13 | 94.64 (19) | H12A—C12—H12B | 109.5 |
C4—Mo2—C14 | 123.74 (18) | C11—C12—H12C | 109.5 |
C3—Mo2—C14 | 86.4 (2) | H12A—C12—H12C | 109.5 |
C13—Mo2—C14 | 36.08 (15) | H12B—C12—H12C | 109.5 |
C4—Mo2—C17 | 82.57 (19) | C14—C13—C17 | 106.8 (4) |
C3—Mo2—C17 | 130.05 (19) | C14—C13—C18 | 124.9 (4) |
C13—Mo2—C17 | 36.29 (16) | C17—C13—C18 | 128.3 (4) |
C14—Mo2—C17 | 59.36 (17) | C14—C13—Mo2 | 73.2 (3) |
C4—Mo2—C16 | 111.47 (19) | C17—C13—Mo2 | 73.2 (3) |
C3—Mo2—C16 | 144.47 (19) | C18—C13—Mo2 | 120.6 (3) |
C13—Mo2—C16 | 59.22 (17) | C15—C14—C13 | 108.7 (4) |
C14—Mo2—C16 | 58.22 (17) | C15—C14—Mo2 | 75.4 (3) |
C17—Mo2—C16 | 35.02 (16) | C13—C14—Mo2 | 70.7 (3) |
C4—Mo2—C15 | 140.74 (19) | C15—C14—H14 | 125.6 |
C3—Mo2—C15 | 112.7 (2) | C13—C14—H14 | 125.6 |
C13—Mo2—C15 | 58.86 (17) | Mo2—C14—H14 | 120.0 |
C14—Mo2—C15 | 34.59 (16) | C14—C15—C16 | 108.3 (4) |
C17—Mo2—C15 | 58.25 (17) | C14—C15—Mo2 | 70.0 (3) |
C16—Mo2—C15 | 34.62 (16) | C16—C15—Mo2 | 72.2 (3) |
C4—Mo2—P1 | 86.41 (15) | C14—C15—H15 | 125.9 |
C3—Mo2—P1 | 122.09 (15) | C16—C15—H15 | 125.9 |
C13—Mo2—P1 | 142.87 (12) | Mo2—C15—H15 | 123.6 |
C14—Mo2—P1 | 140.41 (13) | C17—C16—C15 | 108.2 (4) |
C17—Mo2—P1 | 106.61 (12) | C17—C16—Mo2 | 70.4 (3) |
C16—Mo2—P1 | 88.66 (12) | C15—C16—Mo2 | 73.2 (3) |
C15—Mo2—P1 | 105.82 (12) | C17—C16—H16 | 125.9 |
C4—Mo2—P2 | 78.08 (15) | C15—C16—H16 | 125.9 |
C3—Mo2—P2 | 73.51 (16) | Mo2—C16—H16 | 122.1 |
C13—Mo2—P2 | 162.13 (13) | C16—C17—C13 | 108.0 (4) |
C14—Mo2—P2 | 150.73 (13) | C16—C17—Mo2 | 74.6 (3) |
C17—Mo2—P2 | 149.46 (12) | C13—C17—Mo2 | 70.5 (3) |
C16—Mo2—P2 | 137.03 (13) | C16—C17—H17 | 126.0 |
C15—Mo2—P2 | 137.81 (12) | C13—C17—H17 | 126.0 |
P1—Mo2—Mo1 | 54.47 (3) | Mo2—C17—H17 | 120.7 |
P2—Mo2—Mo1 | 51.85 (3) | O7—C18—O8 | 124.6 (5) |
P1—Mo2—P2 | 49.15 (5) | O7—C18—C13 | 124.5 (5) |
C4—Mo2—Mo1 | 128.74 (14) | O8—C18—C13 | 110.9 (4) |
C3—Mo2—Mo1 | 86.37 (14) | C20—C19—O8 | 106.8 (5) |
C13—Mo2—Mo1 | 142.53 (12) | C20—C19—H19A | 110.4 |
C14—Mo2—Mo1 | 106.97 (12) | O8—C19—H19A | 110.4 |
C17—Mo2—Mo1 | 135.25 (12) | C20—C19—H19B | 110.4 |
C16—Mo2—Mo1 | 100.37 (12) | O8—C19—H19B | 110.4 |
C15—Mo2—Mo1 | 86.20 (12) | H19A—C19—H19B | 108.6 |
Mo1—P1—Mo2 | 73.73 (4) | C19—C20—H20A | 109.5 |
P2—P1—Mo1 | 63.28 (5) | C19—C20—H20B | 109.5 |
P2—P1—Mo2 | 67.44 (5) | H20A—C20—H20B | 109.5 |
Mo1—P2—Mo2 | 73.86 (4) | C19—C20—H20C | 109.5 |
P1—P2—Mo1 | 67.66 (5) | H20A—C20—H20C | 109.5 |
P1—P2—Mo2 | 63.41 (6) | H20B—C20—H20C | 109.5 |
C2—Mo1—Mo2—C4 | 120.9 (2) | Mo2—Mo1—C6—C5 | 168.5 (2) |
C1—Mo1—Mo2—C4 | 33.4 (3) | C5—C6—C7—C8 | −0.1 (5) |
C5—Mo1—Mo2—C4 | −142.8 (3) | Mo1—C6—C7—C8 | 62.2 (3) |
C9—Mo1—Mo2—C4 | −89.1 (3) | C5—C6—C7—Mo1 | −62.3 (3) |
C6—Mo1—Mo2—C4 | −154.2 (2) | C2—Mo1—C7—C6 | −46.2 (3) |
C8—Mo1—Mo2—C4 | −95.0 (2) | C1—Mo1—C7—C6 | 74.7 (4) |
C7—Mo1—Mo2—C4 | −127.5 (2) | C5—Mo1—C7—C6 | 38.4 (3) |
P2—Mo1—Mo2—C4 | −14.7 (2) | C9—Mo1—C7—C6 | 81.0 (3) |
P1—Mo1—Mo2—C4 | 47.8 (2) | C8—Mo1—C7—C6 | 118.1 (4) |
C2—Mo1—Mo2—C3 | −152.5 (2) | P2—Mo1—C7—C6 | 177.7 (3) |
C1—Mo1—Mo2—C3 | 119.9 (2) | P1—Mo1—C7—C6 | −136.6 (3) |
C5—Mo1—Mo2—C3 | −56.2 (3) | Mo2—Mo1—C7—C6 | −131.1 (3) |
C9—Mo1—Mo2—C3 | −2.5 (2) | C2—Mo1—C7—C8 | −164.3 (3) |
C6—Mo1—Mo2—C3 | −67.7 (2) | C1—Mo1—C7—C8 | −43.5 (5) |
C8—Mo1—Mo2—C3 | −8.4 (2) | C5—Mo1—C7—C8 | −79.7 (3) |
C7—Mo1—Mo2—C3 | −40.9 (2) | C9—Mo1—C7—C8 | −37.1 (3) |
P2—Mo1—Mo2—C3 | 71.84 (16) | C6—Mo1—C7—C8 | −118.1 (4) |
P1—Mo1—Mo2—C3 | 134.38 (16) | P2—Mo1—C7—C8 | 59.6 (3) |
C2—Mo1—Mo2—C13 | −59.6 (2) | P1—Mo1—C7—C8 | 105.2 (3) |
C1—Mo1—Mo2—C13 | −147.2 (3) | Mo2—Mo1—C7—C8 | 110.8 (3) |
C5—Mo1—Mo2—C13 | 36.7 (3) | C6—C7—C8—C9 | 0.7 (5) |
C9—Mo1—Mo2—C13 | 90.4 (3) | Mo1—C7—C8—C9 | 62.3 (3) |
C6—Mo1—Mo2—C13 | 25.2 (2) | C6—C7—C8—Mo1 | −61.6 (3) |
C8—Mo1—Mo2—C13 | 84.4 (2) | C2—Mo1—C8—C9 | −91.6 (4) |
C7—Mo1—Mo2—C13 | 52.0 (2) | C1—Mo1—C8—C9 | 36.0 (3) |
P2—Mo1—Mo2—C13 | 164.7 (2) | C5—Mo1—C8—C9 | −38.2 (3) |
P1—Mo1—Mo2—C13 | −132.7 (2) | C6—Mo1—C8—C9 | −80.9 (3) |
C2—Mo1—Mo2—C14 | −67.39 (19) | C7—Mo1—C8—C9 | −116.9 (4) |
C1—Mo1—Mo2—C14 | −155.0 (2) | P2—Mo1—C8—C9 | 119.2 (3) |
C5—Mo1—Mo2—C14 | 28.9 (2) | P1—Mo1—C8—C9 | 130.0 (2) |
C9—Mo1—Mo2—C14 | 82.6 (2) | Mo2—Mo1—C8—C9 | 172.5 (3) |
C6—Mo1—Mo2—C14 | 17.41 (19) | C2—Mo1—C8—C7 | 25.3 (4) |
C8—Mo1—Mo2—C14 | 76.65 (19) | C1—Mo1—C8—C7 | 152.9 (3) |
C7—Mo1—Mo2—C14 | 44.18 (19) | C5—Mo1—C8—C7 | 78.7 (3) |
P2—Mo1—Mo2—C14 | 156.92 (14) | C9—Mo1—C8—C7 | 116.9 (4) |
P1—Mo1—Mo2—C14 | −140.54 (14) | C6—Mo1—C8—C7 | 36.0 (3) |
C2—Mo1—Mo2—C17 | −4.1 (2) | P2—Mo1—C8—C7 | −123.9 (3) |
C1—Mo1—Mo2—C17 | −91.7 (3) | P1—Mo1—C8—C7 | −113.1 (3) |
C5—Mo1—Mo2—C17 | 92.2 (3) | Mo2—Mo1—C8—C7 | −70.6 (3) |
C9—Mo1—Mo2—C17 | 145.9 (2) | C7—C8—C9—C5 | −1.0 (5) |
C6—Mo1—Mo2—C17 | 80.7 (2) | Mo1—C8—C9—C5 | 63.2 (3) |
C8—Mo1—Mo2—C17 | 140.0 (2) | C7—C8—C9—Mo1 | −64.3 (3) |
C7—Mo1—Mo2—C17 | 107.5 (2) | C6—C5—C9—C8 | 1.0 (5) |
P2—Mo1—Mo2—C17 | −139.76 (17) | C10—C5—C9—C8 | 175.1 (4) |
P1—Mo1—Mo2—C17 | −77.22 (17) | Mo1—C5—C9—C8 | −65.7 (3) |
C2—Mo1—Mo2—C16 | −7.65 (18) | C6—C5—C9—Mo1 | 66.7 (3) |
C1—Mo1—Mo2—C16 | −95.2 (2) | C10—C5—C9—Mo1 | −119.2 (5) |
C5—Mo1—Mo2—C16 | 88.6 (2) | C2—Mo1—C9—C8 | 127.4 (3) |
C9—Mo1—Mo2—C16 | 142.3 (2) | C1—Mo1—C9—C8 | −147.3 (3) |
C6—Mo1—Mo2—C16 | 77.15 (17) | C5—Mo1—C9—C8 | 115.8 (4) |
C8—Mo1—Mo2—C16 | 136.39 (17) | C6—Mo1—C9—C8 | 77.1 (3) |
C7—Mo1—Mo2—C16 | 103.92 (18) | C7—Mo1—C9—C8 | 36.5 (3) |
P2—Mo1—Mo2—C16 | −143.34 (13) | P2—Mo1—C9—C8 | −63.9 (3) |
P1—Mo1—Mo2—C16 | −80.80 (13) | P1—Mo1—C9—C8 | −94.1 (3) |
C2—Mo1—Mo2—C15 | −39.38 (18) | Mo2—Mo1—C9—C8 | −10.2 (4) |
C1—Mo1—Mo2—C15 | −127.0 (2) | C2—Mo1—C9—C5 | 11.6 (4) |
C5—Mo1—Mo2—C15 | 56.9 (2) | C1—Mo1—C9—C5 | 96.8 (3) |
C9—Mo1—Mo2—C15 | 110.6 (2) | C6—Mo1—C9—C5 | −38.8 (3) |
C6—Mo1—Mo2—C15 | 45.43 (18) | C8—Mo1—C9—C5 | −115.8 (4) |
C8—Mo1—Mo2—C15 | 104.66 (18) | C7—Mo1—C9—C5 | −79.3 (3) |
C7—Mo1—Mo2—C15 | 72.20 (18) | P2—Mo1—C9—C5 | −179.7 (3) |
P2—Mo1—Mo2—C15 | −175.06 (13) | P1—Mo1—C9—C5 | 150.0 (2) |
P1—Mo1—Mo2—C15 | −112.52 (13) | Mo2—Mo1—C9—C5 | −126.1 (2) |
C2—Mo1—Mo2—P1 | 73.14 (14) | C11—O6—C10—O5 | 1.0 (8) |
C1—Mo1—Mo2—P1 | −14.4 (2) | C11—O6—C10—C5 | −177.6 (5) |
C5—Mo1—Mo2—P1 | 169.4 (2) | C9—C5—C10—O5 | −172.7 (5) |
C9—Mo1—Mo2—P1 | −136.88 (17) | C6—C5—C10—O5 | 0.5 (8) |
C6—Mo1—Mo2—P1 | 157.95 (14) | Mo1—C5—C10—O5 | 93.5 (6) |
C8—Mo1—Mo2—P1 | −142.82 (13) | C9—C5—C10—O6 | 6.0 (7) |
C7—Mo1—Mo2—P1 | −175.28 (14) | C6—C5—C10—O6 | 179.1 (4) |
P2—Mo1—Mo2—P1 | −62.54 (6) | Mo1—C5—C10—O6 | −87.9 (5) |
C2—Mo1—Mo2—P2 | 135.68 (14) | C10—O6—C11—C12 | −143.9 (6) |
C1—Mo1—Mo2—P2 | 48.1 (2) | C4—Mo2—C13—C14 | 166.9 (3) |
C5—Mo1—Mo2—P2 | −128.0 (2) | C3—Mo2—C13—C14 | 77.3 (3) |
C9—Mo1—Mo2—P2 | −74.34 (18) | C17—Mo2—C13—C14 | −114.0 (4) |
C6—Mo1—Mo2—P2 | −139.51 (13) | C16—Mo2—C13—C14 | −77.1 (3) |
C8—Mo1—Mo2—P2 | −80.28 (14) | C15—Mo2—C13—C14 | −36.5 (3) |
C7—Mo1—Mo2—P2 | −112.74 (14) | P1—Mo2—C13—C14 | −110.8 (3) |
P1—Mo1—Mo2—P2 | 62.54 (6) | P2—Mo2—C13—C14 | 124.8 (4) |
C4—Mo2—P1—P2 | −77.33 (16) | Mo1—Mo2—C13—C14 | −12.7 (4) |
C3—Mo2—P1—P2 | 9.95 (18) | C4—Mo2—C13—C17 | −79.1 (3) |
C13—Mo2—P1—P2 | −160.4 (2) | C3—Mo2—C13—C17 | −168.6 (3) |
C14—Mo2—P1—P2 | 139.8 (2) | C14—Mo2—C13—C17 | 114.0 (4) |
C17—Mo2—P1—P2 | −158.47 (13) | C16—Mo2—C13—C17 | 36.9 (3) |
C16—Mo2—P1—P2 | 171.06 (13) | C15—Mo2—C13—C17 | 77.5 (3) |
C15—Mo2—P1—P2 | 140.63 (13) | P1—Mo2—C13—C17 | 3.2 (4) |
Mo1—Mo2—P1—P2 | 67.30 (5) | P2—Mo2—C13—C17 | −121.2 (4) |
C4—Mo2—P1—Mo1 | −144.62 (15) | Mo1—Mo2—C13—C17 | 101.3 (3) |
C3—Mo2—P1—Mo1 | −57.34 (17) | C4—Mo2—C13—C18 | 45.8 (4) |
C13—Mo2—P1—Mo1 | 132.26 (19) | C3—Mo2—C13—C18 | −43.7 (4) |
C14—Mo2—P1—Mo1 | 72.5 (2) | C14—Mo2—C13—C18 | −121.0 (5) |
C17—Mo2—P1—Mo1 | 134.24 (13) | C17—Mo2—C13—C18 | 125.0 (5) |
C16—Mo2—P1—Mo1 | 103.77 (12) | C16—Mo2—C13—C18 | 161.9 (4) |
C15—Mo2—P1—Mo1 | 73.33 (13) | C15—Mo2—C13—C18 | −157.5 (4) |
P2—Mo2—P1—Mo1 | −67.30 (5) | P1—Mo2—C13—C18 | 128.2 (3) |
C2—Mo1—P1—P2 | −170.36 (15) | P2—Mo2—C13—C18 | 3.7 (7) |
C1—Mo1—P1—P2 | 95.58 (17) | Mo1—Mo2—C13—C18 | −133.8 (3) |
C5—Mo1—P1—P2 | 129.1 (4) | C17—C13—C14—C15 | 0.3 (5) |
C9—Mo1—P1—P2 | 40.3 (2) | C18—C13—C14—C15 | −177.7 (4) |
C6—Mo1—P1—P2 | −123.1 (3) | Mo2—C13—C14—C15 | 66.3 (3) |
C8—Mo1—P1—P2 | −14.31 (19) | C17—C13—C14—Mo2 | −66.0 (3) |
C7—Mo1—P1—P2 | −65.5 (2) | C18—C13—C14—Mo2 | 116.0 (5) |
Mo2—Mo1—P1—P2 | −72.51 (5) | C4—Mo2—C14—C15 | −132.2 (3) |
C2—Mo1—P1—Mo2 | −97.86 (14) | C3—Mo2—C14—C15 | 140.7 (3) |
C1—Mo1—P1—Mo2 | 168.09 (16) | C13—Mo2—C14—C15 | −116.3 (4) |
C5—Mo1—P1—Mo2 | −158.4 (4) | C17—Mo2—C14—C15 | −77.4 (3) |
C9—Mo1—P1—Mo2 | 112.8 (2) | C16—Mo2—C14—C15 | −36.2 (3) |
C6—Mo1—P1—Mo2 | −50.6 (3) | P1—Mo2—C14—C15 | 1.4 (4) |
C8—Mo1—P1—Mo2 | 58.20 (18) | P2—Mo2—C14—C15 | 94.7 (4) |
C7—Mo1—P1—Mo2 | 7.0 (2) | Mo1—Mo2—C14—C15 | 55.6 (3) |
P2—Mo1—P1—Mo2 | 72.51 (5) | C4—Mo2—C14—C13 | −15.9 (4) |
Mo2—P1—P2—Mo1 | −82.51 (4) | C3—Mo2—C14—C13 | −103.0 (3) |
Mo1—P1—P2—Mo2 | 82.51 (4) | C17—Mo2—C14—C13 | 38.9 (3) |
C2—Mo1—P2—P1 | 11.10 (17) | C16—Mo2—C14—C13 | 80.1 (3) |
C1—Mo1—P2—P1 | −75.74 (16) | C15—Mo2—C14—C13 | 116.3 (4) |
C5—Mo1—P2—P1 | −159.1 (2) | P1—Mo2—C14—C13 | 117.7 (3) |
C9—Mo1—P2—P1 | −158.90 (13) | P2—Mo2—C14—C13 | −149.0 (2) |
C6—Mo1—P2—P1 | 142.66 (19) | Mo1—Mo2—C14—C13 | 171.9 (2) |
C8—Mo1—P2—P1 | 169.98 (13) | C13—C14—C15—C16 | −0.9 (5) |
C7—Mo1—P2—P1 | 140.62 (14) | Mo2—C14—C15—C16 | 62.4 (3) |
Mo2—Mo1—P2—P1 | 67.37 (5) | C13—C14—C15—Mo2 | −63.3 (3) |
C2—Mo1—P2—Mo2 | −56.27 (17) | C4—Mo2—C15—C14 | 76.8 (4) |
C1—Mo1—P2—Mo2 | −143.11 (16) | C3—Mo2—C15—C14 | −43.2 (3) |
C5—Mo1—P2—Mo2 | 133.50 (19) | C13—Mo2—C15—C14 | 38.1 (3) |
C9—Mo1—P2—Mo2 | 133.73 (13) | C17—Mo2—C15—C14 | 80.9 (3) |
C6—Mo1—P2—Mo2 | 75.3 (2) | C16—Mo2—C15—C14 | 117.9 (4) |
C8—Mo1—P2—Mo2 | 102.61 (13) | P1—Mo2—C15—C14 | −179.1 (3) |
C7—Mo1—P2—Mo2 | 73.26 (13) | P2—Mo2—C15—C14 | −133.5 (3) |
P1—Mo1—P2—Mo2 | −67.37 (5) | Mo1—Mo2—C15—C14 | −127.7 (3) |
C4—Mo2—P2—P1 | 95.62 (17) | C4—Mo2—C15—C16 | −41.1 (4) |
C3—Mo2—P2—P1 | −171.22 (15) | C3—Mo2—C15—C16 | −161.1 (3) |
C13—Mo2—P2—P1 | 138.8 (4) | C13—Mo2—C15—C16 | −79.8 (3) |
C14—Mo2—P2—P1 | −122.7 (3) | C14—Mo2—C15—C16 | −117.9 (4) |
C17—Mo2—P2—P1 | 43.8 (3) | C17—Mo2—C15—C16 | −37.0 (3) |
C16—Mo2—P2—P1 | −13.17 (19) | P1—Mo2—C15—C16 | 63.0 (3) |
C15—Mo2—P2—P1 | −65.34 (19) | P2—Mo2—C15—C16 | 108.6 (3) |
Mo1—Mo2—P2—P1 | −72.68 (5) | Mo1—Mo2—C15—C16 | 114.4 (3) |
C4—Mo2—P2—Mo1 | 168.30 (17) | C14—C15—C16—C17 | 1.1 (5) |
C3—Mo2—P2—Mo1 | −98.54 (15) | Mo2—C15—C16—C17 | 62.1 (3) |
C13—Mo2—P2—Mo1 | −148.5 (4) | C14—C15—C16—Mo2 | −61.0 (3) |
C14—Mo2—P2—Mo1 | −50.1 (3) | C4—Mo2—C16—C17 | 36.5 (3) |
C17—Mo2—P2—Mo1 | 116.5 (2) | C3—Mo2—C16—C17 | −86.0 (4) |
C16—Mo2—P2—Mo1 | 59.51 (18) | C13—Mo2—C16—C17 | −38.3 (3) |
C15—Mo2—P2—Mo1 | 7.34 (19) | C14—Mo2—C16—C17 | −80.8 (3) |
P1—Mo2—P2—Mo1 | 72.68 (5) | C15—Mo2—C16—C17 | −116.9 (4) |
C2—Mo1—C5—C9 | −171.4 (3) | P1—Mo2—C16—C17 | 122.1 (3) |
C1—Mo1—C5—C9 | −81.3 (3) | P2—Mo2—C16—C17 | 132.1 (2) |
C6—Mo1—C5—C9 | 114.2 (4) | Mo1—Mo2—C16—C17 | 175.6 (3) |
C8—Mo1—C5—C9 | 37.1 (3) | C4—Mo2—C16—C15 | 153.5 (3) |
C7—Mo1—C5—C9 | 77.7 (3) | C3—Mo2—C16—C15 | 30.9 (5) |
P2—Mo1—C5—C9 | 0.4 (4) | C13—Mo2—C16—C15 | 78.7 (3) |
P1—Mo1—C5—C9 | −113.7 (4) | C14—Mo2—C16—C15 | 36.2 (3) |
Mo2—Mo1—C5—C9 | 95.6 (3) | C17—Mo2—C16—C15 | 116.9 (4) |
C2—Mo1—C5—C6 | 74.4 (3) | P1—Mo2—C16—C15 | −120.9 (3) |
C1—Mo1—C5—C6 | 164.5 (3) | P2—Mo2—C16—C15 | −111.0 (3) |
C9—Mo1—C5—C6 | −114.2 (4) | Mo1—Mo2—C16—C15 | −67.4 (3) |
C8—Mo1—C5—C6 | −77.1 (3) | C15—C16—C17—C13 | −0.9 (5) |
C7—Mo1—C5—C6 | −36.5 (3) | Mo2—C16—C17—C13 | 63.1 (3) |
P2—Mo1—C5—C6 | −113.8 (3) | C15—C16—C17—Mo2 | −63.9 (3) |
P1—Mo1—C5—C6 | 132.1 (4) | C14—C13—C17—C16 | 0.4 (5) |
Mo2—Mo1—C5—C6 | −18.6 (4) | C18—C13—C17—C16 | 178.3 (5) |
C2—Mo1—C5—C10 | −46.9 (4) | Mo2—C13—C17—C16 | −65.7 (3) |
C1—Mo1—C5—C10 | 43.1 (4) | C14—C13—C17—Mo2 | 66.0 (3) |
C9—Mo1—C5—C10 | 124.5 (5) | C18—C13—C17—Mo2 | −116.0 (5) |
C6—Mo1—C5—C10 | −121.4 (5) | C4—Mo2—C17—C16 | −146.0 (3) |
C8—Mo1—C5—C10 | 161.5 (5) | C3—Mo2—C17—C16 | 130.8 (3) |
C7—Mo1—C5—C10 | −157.9 (5) | C13—Mo2—C17—C16 | 115.9 (4) |
P2—Mo1—C5—C10 | 124.8 (4) | C14—Mo2—C17—C16 | 77.2 (3) |
P1—Mo1—C5—C10 | 10.7 (7) | C15—Mo2—C17—C16 | 36.6 (3) |
Mo2—Mo1—C5—C10 | −140.0 (3) | P1—Mo2—C17—C16 | −62.1 (3) |
C9—C5—C6—C7 | −0.5 (5) | P2—Mo2—C17—C16 | −95.2 (3) |
C10—C5—C6—C7 | −174.9 (4) | Mo1—Mo2—C17—C16 | −6.1 (4) |
Mo1—C5—C6—C7 | 65.6 (3) | C4—Mo2—C17—C13 | 98.0 (3) |
C9—C5—C6—Mo1 | −66.1 (3) | C3—Mo2—C17—C13 | 14.9 (4) |
C10—C5—C6—Mo1 | 119.6 (4) | C14—Mo2—C17—C13 | −38.7 (3) |
C2—Mo1—C6—C7 | 137.6 (3) | C16—Mo2—C17—C13 | −115.9 (4) |
C1—Mo1—C6—C7 | −134.9 (3) | C15—Mo2—C17—C13 | −79.4 (3) |
C5—Mo1—C6—C7 | −116.0 (4) | P1—Mo2—C17—C13 | −178.0 (2) |
C9—Mo1—C6—C7 | −77.3 (3) | P2—Mo2—C17—C13 | 148.9 (2) |
C8—Mo1—C6—C7 | −36.1 (3) | Mo1—Mo2—C17—C13 | −122.1 (2) |
P2—Mo1—C6—C7 | −3.5 (4) | C19—O8—C18—O7 | 1.8 (8) |
P1—Mo1—C6—C7 | 92.3 (4) | C19—O8—C18—C13 | −177.4 (5) |
Mo2—Mo1—C6—C7 | 52.5 (3) | C14—C13—C18—O7 | −3.2 (8) |
C2—Mo1—C6—C5 | −106.4 (3) | C17—C13—C18—O7 | 179.3 (5) |
C1—Mo1—C6—C5 | −18.9 (4) | Mo2—C13—C18—O7 | 87.1 (6) |
C9—Mo1—C6—C5 | 38.7 (3) | C14—C13—C18—O8 | 176.0 (4) |
C8—Mo1—C6—C5 | 79.9 (3) | C17—C13—C18—O8 | −1.5 (7) |
C7—Mo1—C6—C5 | 116.0 (4) | Mo2—C13—C18—O8 | −93.7 (4) |
P2—Mo1—C6—C5 | 112.5 (3) | C18—O8—C19—C20 | 172.9 (5) |
P1—Mo1—C6—C5 | −151.6 (2) |
D—H···A | D—H | H···A | D···A | D—H···A |
C6—H6···O5i | 0.93 | 2.59 | 3.477 (7) | 159 |
C7—H7···O7ii | 0.93 | 2.60 | 3.441 (7) | 151 |
C11—H11A···O5 | 0.97 | 2.36 | 2.719 (9) | 101 |
C14—H14···O7ii | 0.93 | 2.38 | 3.262 (7) | 158 |
Symmetry codes: (i) x+1/2, y+1/2, z; (ii) −x, y, −z+1/2. |
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