Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803020282/dn6091sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803020282/dn6091Isup2.hkl |
CCDC reference: 225682
Data collection: P3 Software (Nicolet, 1980); cell refinement: P3 Software; data reduction: RDNIC (Howie, 1980); program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL7 and PLATON (Spek, 2003).
[CrMn(C6H7)(C8H8)(CO)5] | F(000) = 872 |
Mr = 430.25 | Dx = 1.602 Mg m−3 Dm = 1.6 (1) Mg m−3 Dm measured by density gradient method |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 14 reflections |
a = 7.281 (4) Å | θ = 7.5–10.5° |
b = 23.637 (14) Å | µ = 1.34 mm−1 |
c = 10.502 (5) Å | T = 298 K |
β = 99.19 (4)° | Block, red-brown |
V = 1784.2 (17) Å3 | 0.50 × 0.50 × 0.20 mm |
Z = 4 |
Nicolet P3 diffractometer | 2247 reflections with I > 2σ(I) |
Radiation source: normal-focus sealed tube | Rint = 0.075 |
Graphite monochromator | θmax = 25.1°, θmin = 1.7° |
ω scans | h = 0→8 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→28 |
Tmin = 0.561, Tmax = 0.764 | l = −12→12 |
3422 measured reflections | 2 standard reflections every 50 reflections |
3167 independent reflections | intensity decay: none |
Refinement on F2 | Primary atom site location: heavy-atom method |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.044 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.099 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0468P)2] where P = (Fo2 + 2Fc2)/3 |
3167 reflections | (Δ/σ)max = 0.001 |
236 parameters | Δρmax = 0.27 e Å−3 |
0 restraints | Δρmin = −0.32 e Å−3 |
Experimental. Scan rates, dependent on pre-scan intensity Ip, were variable in the range 1.0 (Ip<150) to 29.3 (Ip>2500) ° ω min-1. The scan width was fixed at 0.6 ° ω. Stationary crystal background counts were made at 1 ° in ω on either side of the Bragg angle each for 25% of the total (peak plus background) count time. |
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. Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane) - 2.0539 (0.0149) x + 13.9474 (0.0418) y - 7.3693 (0.0167) z = 3.7048 (0.0321) * 0.0023 (0.0026) C6 * 0.0016 (0.0027) C7 * -0.0048 (0.0026) C8 * 0.0062 (0.0026) C9 * -0.0052 (0.0025) C10 - 0.1170 (0.0075) C11 1.7889 (0.0022) Mn1 2.6829 (0.0060) C1 2.7005 (0.0059) C2 2.8971 (0.0059) C18 3.0942 (0.0063) C19 Rms deviation of fitted atoms = 0.0044 - 3.4138 (0.0096) x + 5.8582 (0.0354) y + 9.5756 (0.0092) z = 4.0241 (0.0222) A ngle to previous plane (with approximate e.s.d.) = 68.73 (0.13) * -0.0092 (0.0025) C12 * -0.0049 (0.0026) C13 * 0.0126 (0.0028) C14 * -0.0061 (0.0027) C15 * -0.0079 (0.0025) C16 * 0.0155 (0.0025) C17 - 1.7292 (0.0020) Cr1 - 2.8157 (0.0051) C3 - 2.8163 (0.0052) C4 - 2.7772 (0.0052) C5 0.0146 (0.0057) C18 - 0.0830 (0.0069) C19 Rms deviation of fitted atoms = 0.0101 |
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 | ||
Mn1 | 0.41417 (8) | 0.65083 (2) | 0.37087 (5) | 0.03650 (18) | |
Cr1 | 0.07064 (8) | 0.61195 (2) | −0.10955 (5) | 0.03312 (17) | |
O1 | 0.5076 (5) | 0.77140 (16) | 0.3732 (4) | 0.0875 (12) | |
C1 | 0.4715 (6) | 0.7236 (2) | 0.3713 (4) | 0.0533 (11) | |
O2 | 0.0251 (4) | 0.68604 (14) | 0.3471 (3) | 0.0628 (9) | |
C2 | 0.1754 (6) | 0.67129 (18) | 0.3524 (4) | 0.0441 (10) | |
O3 | −0.1118 (5) | 0.53327 (13) | −0.3125 (3) | 0.0664 (9) | |
C3 | −0.0422 (6) | 0.56394 (17) | −0.2339 (3) | 0.0420 (10) | |
O4 | 0.4310 (5) | 0.55519 (17) | −0.1299 (3) | 0.0774 (10) | |
C4 | 0.2917 (6) | 0.57775 (18) | −0.1233 (4) | 0.0477 (10) | |
O5 | 0.1165 (5) | 0.69356 (14) | −0.3195 (3) | 0.0722 (10) | |
C5 | 0.1015 (6) | 0.66206 (17) | −0.2387 (4) | 0.0463 (10) | |
C6 | 0.4419 (6) | 0.56500 (19) | 0.4431 (4) | 0.0536 (12) | |
H6 | 0.3827 | 0.5340 | 0.4003 | 0.064* | |
C7 | 0.3680 (7) | 0.5998 (2) | 0.5297 (4) | 0.0617 (13) | |
H7 | 0.2516 | 0.5960 | 0.5545 | 0.074* | |
C8 | 0.4997 (7) | 0.6413 (2) | 0.5724 (4) | 0.0620 (13) | |
H8 | 0.4869 | 0.6699 | 0.6313 | 0.074* | |
C9 | 0.6558 (6) | 0.63248 (19) | 0.5107 (4) | 0.0533 (12) | |
H9 | 0.7627 | 0.6546 | 0.5211 | 0.064* | |
C10 | 0.6234 (6) | 0.58498 (18) | 0.4314 (4) | 0.0464 (10) | |
C11 | 0.7572 (7) | 0.5574 (2) | 0.3571 (4) | 0.0685 (14) | |
H11A | 0.8413 | 0.5853 | 0.3332 | 0.103* | |
H11B | 0.6901 | 0.5403 | 0.2807 | 0.103* | |
H11C | 0.8264 | 0.5289 | 0.4095 | 0.103* | |
C12 | 0.1130 (5) | 0.67769 (16) | 0.0450 (3) | 0.0396 (9) | |
H12 | 0.1900 | 0.7093 | 0.0511 | 0.047* | |
C13 | −0.0688 (6) | 0.68131 (17) | −0.0216 (4) | 0.0435 (10) | |
H13 | −0.1117 | 0.7155 | −0.0588 | 0.052* | |
C14 | −0.1865 (6) | 0.63480 (19) | −0.0333 (4) | 0.0486 (10) | |
H14 | −0.3081 | 0.6379 | −0.0761 | 0.058* | |
C15 | −0.1191 (6) | 0.58277 (18) | 0.0206 (4) | 0.0469 (10) | |
H15 | −0.1955 | 0.5510 | 0.0117 | 0.056* | |
C16 | 0.0606 (6) | 0.57894 (17) | 0.0868 (3) | 0.0448 (10) | |
H16 | 0.1040 | 0.5444 | 0.1217 | 0.054* | |
C17 | 0.1797 (6) | 0.62670 (16) | 0.1025 (3) | 0.0384 (9) | |
C18 | 0.3702 (6) | 0.62001 (18) | 0.1744 (3) | 0.0464 (11) | |
H18 | 0.4006 | 0.5853 | 0.2138 | 0.056* | |
C19 | 0.5081 (6) | 0.6616 (2) | 0.1880 (4) | 0.0609 (14) | |
H19A | 0.4832 | 0.6969 | 0.1500 | 0.073* | |
H19B | 0.6249 | 0.6540 | 0.2350 | 0.073* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Mn1 | 0.0395 (4) | 0.0415 (3) | 0.0278 (3) | −0.0017 (3) | 0.0034 (2) | −0.0011 (3) |
Cr1 | 0.0380 (4) | 0.0327 (3) | 0.0280 (3) | −0.0022 (3) | 0.0033 (2) | −0.0004 (3) |
O1 | 0.083 (3) | 0.053 (2) | 0.120 (3) | −0.026 (2) | −0.005 (2) | 0.000 (2) |
C1 | 0.041 (3) | 0.056 (3) | 0.059 (3) | −0.001 (2) | −0.004 (2) | −0.004 (2) |
O2 | 0.045 (2) | 0.080 (2) | 0.065 (2) | 0.0105 (17) | 0.0125 (16) | −0.0043 (17) |
C2 | 0.050 (3) | 0.047 (2) | 0.037 (2) | −0.006 (2) | 0.0090 (19) | −0.0068 (18) |
O3 | 0.085 (3) | 0.055 (2) | 0.0498 (17) | −0.0095 (17) | −0.0170 (17) | −0.0106 (15) |
C3 | 0.044 (2) | 0.044 (2) | 0.036 (2) | −0.0029 (19) | −0.0014 (18) | 0.0018 (19) |
O4 | 0.048 (2) | 0.101 (3) | 0.082 (2) | 0.015 (2) | 0.0060 (18) | −0.019 (2) |
C4 | 0.047 (3) | 0.055 (3) | 0.038 (2) | −0.006 (2) | −0.003 (2) | −0.0079 (19) |
O5 | 0.107 (3) | 0.060 (2) | 0.0543 (18) | −0.0025 (19) | 0.0273 (19) | 0.0192 (17) |
C5 | 0.059 (3) | 0.042 (2) | 0.039 (2) | −0.002 (2) | 0.012 (2) | −0.0018 (19) |
C6 | 0.065 (3) | 0.045 (3) | 0.048 (2) | 0.001 (2) | 0.002 (2) | 0.010 (2) |
C7 | 0.070 (3) | 0.070 (3) | 0.051 (3) | 0.010 (3) | 0.026 (2) | 0.019 (2) |
C8 | 0.083 (4) | 0.074 (4) | 0.028 (2) | 0.019 (3) | 0.003 (2) | 0.000 (2) |
C9 | 0.051 (3) | 0.062 (3) | 0.040 (2) | 0.008 (2) | −0.012 (2) | −0.002 (2) |
C10 | 0.054 (3) | 0.050 (2) | 0.034 (2) | 0.011 (2) | 0.0031 (19) | 0.0027 (19) |
C11 | 0.070 (4) | 0.072 (3) | 0.065 (3) | 0.021 (3) | 0.013 (3) | 0.003 (3) |
C12 | 0.043 (2) | 0.037 (2) | 0.038 (2) | −0.0021 (18) | 0.0043 (18) | −0.0089 (17) |
C13 | 0.047 (3) | 0.041 (2) | 0.043 (2) | 0.011 (2) | 0.0083 (19) | −0.0002 (18) |
C14 | 0.037 (2) | 0.059 (3) | 0.052 (2) | 0.001 (2) | 0.0132 (19) | −0.001 (2) |
C15 | 0.052 (3) | 0.049 (3) | 0.043 (2) | −0.012 (2) | 0.018 (2) | −0.002 (2) |
C16 | 0.065 (3) | 0.040 (2) | 0.0313 (18) | 0.001 (2) | 0.013 (2) | 0.0032 (17) |
C17 | 0.049 (2) | 0.043 (2) | 0.0235 (17) | 0.0040 (19) | 0.0051 (17) | −0.0071 (16) |
C18 | 0.057 (3) | 0.056 (3) | 0.0244 (18) | 0.014 (2) | 0.0019 (18) | −0.0012 (18) |
C19 | 0.047 (3) | 0.103 (4) | 0.032 (2) | −0.003 (3) | 0.0028 (19) | 0.012 (2) |
Mn1—C1 | 1.770 (5) | C7—C8 | 1.395 (7) |
Mn1—C2 | 1.785 (5) | C7—H7 | 0.9300 |
Mn1—C8 | 2.121 (4) | C8—C9 | 1.411 (6) |
Mn1—C7 | 2.128 (4) | C8—H8 | 0.9300 |
Mn1—C9 | 2.148 (4) | C9—C10 | 1.395 (6) |
Mn1—C19 | 2.155 (4) | C9—H9 | 0.9300 |
Mn1—C18 | 2.163 (4) | C10—C11 | 1.492 (6) |
Mn1—C6 | 2.164 (4) | C11—H11A | 0.9600 |
Mn1—C10 | 2.199 (4) | C11—H11B | 0.9600 |
Cr1—C3 | 1.823 (4) | C11—H11C | 0.9600 |
Cr1—C4 | 1.827 (5) | C12—C13 | 1.397 (5) |
Cr1—C5 | 1.841 (4) | C12—C17 | 1.400 (5) |
Cr1—C15 | 2.204 (4) | C12—H12 | 0.9300 |
Cr1—C13 | 2.207 (4) | C13—C14 | 1.387 (6) |
Cr1—C16 | 2.217 (4) | C13—H13 | 0.9300 |
Cr1—C14 | 2.217 (4) | C14—C15 | 1.409 (6) |
Cr1—C12 | 2.232 (4) | C14—H14 | 0.9300 |
Cr1—C17 | 2.269 (4) | C15—C16 | 1.383 (6) |
O1—C1 | 1.160 (5) | C15—H15 | 0.9300 |
O2—C2 | 1.142 (5) | C16—C17 | 1.417 (6) |
O3—C3 | 1.154 (4) | C16—H16 | 0.9300 |
O4—C4 | 1.158 (5) | C17—C18 | 1.477 (6) |
O5—C5 | 1.147 (4) | C18—C19 | 1.397 (6) |
C6—C7 | 1.396 (6) | C18—H18 | 0.9300 |
C6—C10 | 1.427 (6) | C19—H19A | 0.9300 |
C6—H6 | 0.9300 | C19—H19B | 0.9300 |
C1—Mn1—C2 | 87.83 (19) | C10—C6—H6 | 125.7 |
C1—Mn1—C8 | 94.0 (2) | Mn1—C6—H6 | 124.0 |
C2—Mn1—C8 | 105.23 (19) | C8—C7—C6 | 107.9 (4) |
C1—Mn1—C7 | 128.0 (2) | C8—C7—Mn1 | 70.6 (3) |
C2—Mn1—C7 | 88.03 (19) | C6—C7—Mn1 | 72.4 (2) |
C8—Mn1—C7 | 38.34 (18) | C8—C7—H7 | 126.0 |
C1—Mn1—C9 | 91.57 (18) | C6—C7—H7 | 126.0 |
C2—Mn1—C9 | 143.72 (17) | Mn1—C7—H7 | 122.6 |
C8—Mn1—C9 | 38.60 (17) | C7—C8—C9 | 108.1 (4) |
C7—Mn1—C9 | 64.18 (19) | C7—C8—Mn1 | 71.1 (2) |
C1—Mn1—C19 | 77.2 (2) | C9—C8—Mn1 | 71.7 (2) |
C2—Mn1—C19 | 108.28 (18) | C7—C8—H8 | 126.0 |
C8—Mn1—C19 | 144.86 (19) | C9—C8—H8 | 126.0 |
C7—Mn1—C19 | 151.4 (2) | Mn1—C8—H8 | 122.9 |
C9—Mn1—C19 | 106.92 (18) | C10—C9—C8 | 108.7 (4) |
C1—Mn1—C18 | 109.19 (18) | C10—C9—Mn1 | 73.3 (2) |
C2—Mn1—C18 | 89.68 (17) | C8—C9—Mn1 | 69.6 (2) |
C8—Mn1—C18 | 153.06 (18) | C10—C9—H9 | 125.6 |
C7—Mn1—C18 | 122.60 (19) | C8—C9—H9 | 125.6 |
C9—Mn1—C18 | 124.35 (16) | Mn1—C9—H9 | 123.1 |
C19—Mn1—C18 | 37.75 (16) | C9—C10—C6 | 106.6 (4) |
C1—Mn1—C6 | 154.34 (18) | C9—C10—C11 | 126.9 (4) |
C2—Mn1—C6 | 109.08 (18) | C6—C10—C11 | 126.3 (4) |
C8—Mn1—C6 | 63.55 (18) | C9—C10—Mn1 | 69.3 (2) |
C7—Mn1—C6 | 37.94 (16) | C6—C10—Mn1 | 69.6 (2) |
C9—Mn1—C6 | 63.29 (18) | C11—C10—Mn1 | 129.6 (3) |
C19—Mn1—C6 | 113.48 (19) | C10—C11—H11A | 109.5 |
C18—Mn1—C6 | 90.58 (17) | C10—C11—H11B | 109.5 |
C1—Mn1—C10 | 122.34 (19) | H11A—C11—H11B | 109.5 |
C2—Mn1—C10 | 147.20 (18) | C10—C11—H11C | 109.5 |
C8—Mn1—C10 | 63.71 (17) | H11A—C11—H11C | 109.5 |
C7—Mn1—C10 | 63.96 (17) | H11B—C11—H11C | 109.5 |
C9—Mn1—C10 | 37.42 (15) | C13—C12—C17 | 120.3 (4) |
C19—Mn1—C10 | 92.15 (17) | C13—C12—Cr1 | 70.7 (2) |
C18—Mn1—C10 | 91.58 (15) | C17—C12—Cr1 | 73.3 (2) |
C6—Mn1—C10 | 38.15 (16) | C13—C12—H12 | 119.9 |
C3—Cr1—C4 | 88.26 (18) | C17—C12—H12 | 119.9 |
C3—Cr1—C5 | 88.11 (18) | Cr1—C12—H12 | 128.4 |
C4—Cr1—C5 | 90.79 (19) | C14—C13—C12 | 121.2 (4) |
C3—Cr1—C15 | 89.65 (17) | C14—C13—Cr1 | 72.1 (2) |
C4—Cr1—C15 | 123.92 (18) | C12—C13—Cr1 | 72.6 (2) |
C5—Cr1—C15 | 145.13 (18) | C14—C13—H13 | 119.4 |
C3—Cr1—C13 | 125.25 (17) | C12—C13—H13 | 119.4 |
C4—Cr1—C13 | 146.27 (16) | Cr1—C13—H13 | 128.1 |
C5—Cr1—C13 | 87.05 (17) | C13—C14—C15 | 119.1 (4) |
C15—Cr1—C13 | 66.24 (16) | C13—C14—Cr1 | 71.3 (2) |
C3—Cr1—C16 | 111.65 (16) | C15—C14—Cr1 | 70.9 (2) |
C4—Cr1—C16 | 94.50 (17) | C13—C14—H14 | 120.5 |
C5—Cr1—C16 | 159.65 (16) | C15—C14—H14 | 120.5 |
C15—Cr1—C16 | 36.46 (15) | Cr1—C14—H14 | 129.7 |
C13—Cr1—C16 | 77.67 (15) | C16—C15—C14 | 120.0 (4) |
C3—Cr1—C14 | 95.76 (17) | C16—C15—Cr1 | 72.3 (2) |
C4—Cr1—C14 | 160.30 (17) | C14—C15—Cr1 | 71.9 (2) |
C5—Cr1—C14 | 108.58 (18) | C16—C15—H15 | 120.0 |
C15—Cr1—C14 | 37.16 (15) | C14—C15—H15 | 120.0 |
C13—Cr1—C14 | 36.55 (15) | Cr1—C15—H15 | 127.9 |
C16—Cr1—C14 | 66.07 (16) | C15—C16—C17 | 121.3 (4) |
C3—Cr1—C12 | 161.42 (17) | C15—C16—Cr1 | 71.2 (2) |
C4—Cr1—C12 | 110.14 (16) | C17—C16—Cr1 | 73.6 (2) |
C5—Cr1—C12 | 93.93 (16) | C15—C16—H16 | 119.4 |
C15—Cr1—C12 | 78.14 (15) | C17—C16—H16 | 119.4 |
C13—Cr1—C12 | 36.69 (14) | Cr1—C16—H16 | 128.0 |
C16—Cr1—C12 | 65.80 (15) | C12—C17—C16 | 118.1 (4) |
C14—Cr1—C12 | 66.08 (15) | C12—C17—C18 | 123.0 (4) |
C3—Cr1—C17 | 147.73 (16) | C16—C17—C18 | 118.8 (4) |
C4—Cr1—C17 | 88.34 (16) | C12—C17—Cr1 | 70.5 (2) |
C5—Cr1—C17 | 124.02 (16) | C16—C17—Cr1 | 69.6 (2) |
C15—Cr1—C17 | 66.11 (15) | C18—C17—Cr1 | 129.6 (3) |
C13—Cr1—C17 | 65.63 (14) | C19—C18—C17 | 125.3 (4) |
C16—Cr1—C17 | 36.81 (14) | C19—C18—Mn1 | 70.8 (2) |
C14—Cr1—C17 | 77.96 (15) | C17—C18—Mn1 | 115.8 (3) |
C12—Cr1—C17 | 36.24 (13) | C19—C18—H18 | 117.4 |
O1—C1—Mn1 | 178.9 (5) | C17—C18—H18 | 117.4 |
O2—C2—Mn1 | 176.1 (3) | Mn1—C18—H18 | 83.3 |
O3—C3—Cr1 | 179.3 (4) | C18—C19—Mn1 | 71.4 (2) |
O4—C4—Cr1 | 178.4 (4) | C18—C19—H19A | 120.0 |
O5—C5—Cr1 | 178.5 (4) | Mn1—C19—H19A | 114.9 |
C7—C6—C10 | 108.6 (4) | C18—C19—H19B | 120.0 |
C7—C6—Mn1 | 69.6 (3) | Mn1—C19—H19B | 84.1 |
C10—C6—Mn1 | 72.3 (2) | H19A—C19—H19B | 120.0 |
C7—C6—H6 | 125.7 | ||
C12—C17—C18—C19 | −3.7 (6) | C16—C17—C18—C19 | 174.0 (4) |
D—H···A | D—H | H···A | D···A | D—H···A |
C6—H6···O3i | 0.93 | 2.59 | 3.464 (6) | 158 |
C14—H14···O1ii | 0.93 | 2.54 | 3.185 (6) | 127 |
Symmetry codes: (i) −x, −y+1, −z; (ii) x−1, −y+3/2, z−1/2. |
Mn1—Cg1a | 1.790 (2) | Cr1—Cg2a | 1.7295 (19) |
Mn1—C1 | 1.770 (5) | Cr1—C3 | 1.823 (4) |
Mn1—C2 | 1.785 (5) | Cr1—C4 | 1.827 (5) |
Mn1—Mba | 2.043 (4) | Cr1—C5 | 1.841 (4) |
Mn1—C18 | 2.163 (4) | ||
Mn1—C19 | 2.155 (4) | ||
C1—O1 | 1.160 (5) | C3—O3 | 1.154 (4) |
C2—O2 | 1.142 (5) | C4—O4 | 1.158 (5) |
C18—C19 | 1.397 (6) | C5—O5 | 1.147 (4) |
Cg1—Mn1—C1 | 121.24 (16) | Cg2—Cr1—C3 | 127.63 (15) |
Cg1—Mn1—C2 | 122.23 (16) | Cg2—Cr1—C4 | 125.51 (15) |
Cg1—Mn1—Mb | 124.11 (15) | Cg2—Cr2—C5 | 124.67 (15) |
C1—Mn1—C2 | 87.83 (19) | C3—Cr1—C4 | 88.26 (18) |
C1—Mn1—Mb | 93.30 (19) | C3—Cr1—C5 | 88.11 (18) |
C2—Mn1—Mb | 99.35 (19) | C4—Cr1—C5 | 90.79 (19) |
Mn1—C1—O1 | 178.9 (5) | Cr1—C3—O3 | 179.3 (4) |
Mn1—C2—O2 | 176.1 (3) | Cr1—C4—O4 | 178.4 (4) |
C18—Mn1—C19 | 33.75 (16) | Cr1—C5—O5 | 178.54 (4) |
C10—Cg1—Mn1—Mb | 17.0 (3) | C3—Cr1—Cg2—C15 | 18.0 (3) |
C10—Cg1—Mn1—C1 | -102.5 (3) | C4—Cr1—Cg2—C17 | 18.0 (3) |
C10—Cg1—Mn1—C2 | 148.3 (3) | C5—Cr1—Cg2—C13 | 17.0 (3) |
Note: (a) Cg1, Cg2 and Mb are, respectively, the centroids of the cyclopentadienyl and phenyl rings and the mid-point of the C18═C19 bond. |