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metal-organic compounds
The title compound, [Fe(C5H5)(C9H11O2)], was prepared and characterized by spectroscopic methods and crystal structure determination. The average values of the bond distances between the C atoms in the cyclopentadienyl rings are 1.422 (3) Å in the substituted and 1.404 (4) Å in the unsubstituted ring. The Fe—C bond distances range from 2.036 (2) to 2.061 (2) Å and the bond angles in both rings range from 107.1 (2) to 108.9 (2)°. The cyclopentadienyl rings are almost parallel and deviate only slightly from the eclipsed conformation. The molecules are connected into dimers by very weak C—HO intermolecular hydrogen bonds.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802019141/om6109sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802019141/om6109Isup2.hkl |
CCDC reference: 200740
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.003 Å
- R factor = 0.036
- wR factor = 0.099
- Data-to-parameter ratio = 20.9
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry
Alert Level C:
PLAT_711 Alert C BOND Unknown or Inconsistent Label ........ C C C(CP)(A PLAT_711 Alert C BOND Unknown or Inconsistent Label ........ C C C(CP)(A
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
2 Alert Level C = Please check
Computing details top
Data collection: STADI4 (Stoe & Cie, 1995); cell refinement: STADI4; data reduction: X-RED (Stoe & Cie, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: WinGX (Farrugia, 1999); software used to prepare material for publication: SHELXL97.
Methyl 3-ferrocenylpropanoate top
Crystal data top
[Fe(C5H5)(C9H11O2)] | Dx = 1.464 Mg m−3 |
Mr = 272.12 | Melting point: 310-311 K K |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 29.425 (9) Å | Cell parameters from 28 reflections |
b = 6.1454 (9) Å | θ = 6.2–13.3° |
c = 13.739 (2) Å | µ = 1.21 mm−1 |
β = 96.38 (1)° | T = 295 K |
V = 2469.0 (9) Å3 | Prismatic, orange |
Z = 8 | 0.90 × 0.75 × 0.60 mm |
F(000) = 1136 |
Data collection top
Philips PW1100 diffractometer updated by Stoe | 2526 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.016 |
Graphite monochromator | θmax = 28.9°, θmin = 2.8° |
ω scans | h = −40→39 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→8 |
Tmin = 0.306, Tmax = 0.502 | l = 0→18 |
3235 measured reflections | 4 standard reflections every 120 min |
3235 independent reflections | intensity decay: 2.4% |
Refinement top
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)] = 0.036 | H-atom parameters constrained |
wR(F2) = 0.099 | w = 1/[σ2(Fo2) + (0.0571P)2 + 0.5699P] where P = (Fo2 + 2Fc2)/3 |
S = 1.07 | (Δ/σ)max = 0.001 |
3235 reflections | Δρmax = 0.36 e Å−3 |
155 parameters | Δρmin = −0.22 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0027 (4) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Fe | 0.162609 (8) | 0.23232 (4) | 0.382015 (17) | 0.03872 (11) | |
O1 | 0.00024 (5) | 0.4304 (3) | 0.12230 (13) | 0.0702 (5) | |
O2 | 0.02558 (5) | 0.7711 (2) | 0.14370 (13) | 0.0568 (4) | |
C1 | 0.13518 (7) | 0.1983 (3) | 0.23815 (13) | 0.0442 (4) | |
C2 | 0.17506 (7) | 0.3304 (4) | 0.24491 (14) | 0.0508 (4) | |
H2 | 0.1765 | 0.4733 | 0.2232 | 0.061* | |
C3 | 0.21260 (7) | 0.2056 (4) | 0.29097 (17) | 0.0586 (5) | |
H3 | 0.2427 | 0.2531 | 0.3043 | 0.070* | |
C4 | 0.19594 (8) | −0.0021 (4) | 0.31245 (16) | 0.0579 (5) | |
H4 | 0.2130 | −0.1157 | 0.3425 | 0.069* | |
C5 | 0.14835 (8) | −0.0068 (3) | 0.28002 (15) | 0.0538 (5) | |
H5 | 0.1290 | −0.1248 | 0.2853 | 0.065* | |
C6 | 0.11346 (8) | 0.3602 (5) | 0.45857 (14) | 0.0612 (6) | |
H6 | 0.0838 | 0.3948 | 0.4329 | 0.073* | |
C7 | 0.15144 (9) | 0.4999 (4) | 0.46429 (16) | 0.0633 (6) | |
H7 | 0.1514 | 0.6437 | 0.4432 | 0.076* | |
C8 | 0.18986 (8) | 0.3822 (5) | 0.50805 (15) | 0.0656 (6) | |
H8 | 0.2196 | 0.4348 | 0.5206 | 0.079* | |
C9 | 0.17499 (9) | 0.1724 (5) | 0.52890 (15) | 0.0648 (6) | |
H9 | 0.1932 | 0.0613 | 0.5580 | 0.078* | |
C10 | 0.12835 (8) | 0.1588 (5) | 0.49862 (15) | 0.0648 (6) | |
H10 | 0.1101 | 0.0368 | 0.5040 | 0.078* | |
C11 | 0.08782 (7) | 0.2551 (3) | 0.19239 (17) | 0.0513 (5) | |
H11A | 0.0657 | 0.1809 | 0.2279 | 0.062* | |
H11B | 0.0840 | 0.2021 | 0.1255 | 0.062* | |
C12 | 0.07790 (6) | 0.4962 (3) | 0.19192 (14) | 0.0456 (4) | |
H12A | 0.0825 | 0.5496 | 0.2587 | 0.055* | |
H12B | 0.0997 | 0.5698 | 0.1552 | 0.055* | |
C13 | 0.03046 (6) | 0.5547 (3) | 0.14850 (12) | 0.0439 (4) | |
C14 | −0.01873 (7) | 0.8526 (4) | 0.10525 (17) | 0.0616 (5) | |
H14A | −0.0181 | 1.0088 | 0.1047 | 0.092* | |
H14B | −0.0413 | 0.8035 | 0.1457 | 0.092* | |
H14C | −0.0263 | 0.7998 | 0.0397 | 0.092* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe | 0.03949 (16) | 0.04113 (16) | 0.03594 (15) | −0.00205 (10) | 0.00601 (10) | −0.00138 (9) |
O1 | 0.0583 (9) | 0.0492 (8) | 0.0977 (13) | −0.0082 (7) | −0.0158 (8) | 0.0034 (8) |
O2 | 0.0563 (8) | 0.0422 (7) | 0.0708 (10) | 0.0002 (6) | 0.0029 (7) | 0.0001 (6) |
C1 | 0.0497 (10) | 0.0455 (9) | 0.0372 (8) | 0.0004 (8) | 0.0037 (7) | −0.0084 (7) |
C2 | 0.0519 (11) | 0.0588 (11) | 0.0433 (9) | −0.0047 (9) | 0.0125 (8) | 0.0037 (9) |
C3 | 0.0446 (10) | 0.0807 (15) | 0.0523 (11) | 0.0036 (10) | 0.0125 (8) | 0.0017 (10) |
C4 | 0.0581 (12) | 0.0603 (12) | 0.0553 (11) | 0.0167 (10) | 0.0069 (10) | −0.0061 (9) |
C5 | 0.0629 (12) | 0.0419 (10) | 0.0559 (11) | 0.0018 (8) | 0.0040 (9) | −0.0109 (8) |
C6 | 0.0545 (11) | 0.0905 (17) | 0.0397 (9) | 0.0186 (12) | 0.0102 (8) | −0.0035 (11) |
C7 | 0.0923 (17) | 0.0497 (11) | 0.0496 (11) | 0.0059 (11) | 0.0151 (11) | −0.0105 (9) |
C8 | 0.0615 (13) | 0.0838 (17) | 0.0497 (11) | −0.0095 (12) | −0.0017 (10) | −0.0186 (11) |
C9 | 0.0776 (15) | 0.0749 (15) | 0.0410 (10) | 0.0176 (13) | 0.0027 (10) | 0.0057 (10) |
C10 | 0.0729 (15) | 0.0760 (15) | 0.0489 (11) | −0.0108 (13) | 0.0219 (10) | 0.0058 (11) |
C11 | 0.0534 (11) | 0.0455 (10) | 0.0519 (10) | −0.0009 (8) | −0.0080 (9) | −0.0098 (8) |
C12 | 0.0486 (10) | 0.0438 (9) | 0.0444 (9) | −0.0050 (7) | 0.0052 (8) | −0.0012 (7) |
C13 | 0.0511 (10) | 0.0428 (9) | 0.0383 (8) | −0.0031 (8) | 0.0071 (7) | 0.0004 (7) |
C14 | 0.0637 (13) | 0.0537 (12) | 0.0679 (13) | 0.0091 (10) | 0.0091 (10) | 0.0101 (10) |
Geometric parameters (Å, º) top
C—C(Cp)(av.)subst. | 1.421 (3) | C4—C5 | 1.422 (3) |
C—C(Cp)(av.)unsubst. | 1.404 (4) | C4—H4 | 0.9300 |
Fe—C10 | 2.036 (2) | C5—H5 | 0.9300 |
Fe—C6 | 2.038 (2) | C6—C10 | 1.404 (4) |
Fe—C4 | 2.039 (2) | C6—C7 | 1.405 (4) |
Fe—C3 | 2.041 (2) | C6—H6 | 0.9300 |
Fe—C5 | 2.0417 (19) | C7—C8 | 1.418 (3) |
Fe—C7 | 2.043 (2) | C7—H7 | 0.9300 |
Fe—C9 | 2.044 (2) | C8—C9 | 1.401 (4) |
Fe—C8 | 2.045 (2) | C8—H8 | 0.9300 |
Fe—C2 | 2.0492 (19) | C9—C10 | 1.392 (3) |
Fe—C1 | 2.0609 (18) | C9—H9 | 0.9300 |
O1—C13 | 1.197 (2) | C10—H10 | 0.9300 |
O2—C13 | 1.338 (2) | C11—C12 | 1.510 (3) |
O2—C14 | 1.441 (2) | C11—H11A | 0.9700 |
C1—C2 | 1.422 (3) | C11—H11B | 0.9700 |
C1—C5 | 1.421 (3) | C12—C13 | 1.500 (3) |
C1—C11 | 1.505 (3) | C12—H12A | 0.9700 |
C2—C3 | 1.433 (3) | C12—H12B | 0.9700 |
C2—H2 | 0.9300 | C14—H14A | 0.9600 |
C3—C4 | 1.410 (3) | C14—H14B | 0.9600 |
C3—H3 | 0.9300 | C14—H14C | 0.9600 |
C10—Fe—C6 | 40.33 (11) | C3—C4—C5 | 107.83 (19) |
C10—Fe—C4 | 121.20 (11) | C3—C4—Fe | 69.84 (12) |
C6—Fe—C4 | 156.93 (11) | C5—C4—Fe | 69.71 (11) |
C10—Fe—C3 | 156.64 (11) | C3—C4—H4 | 126.1 |
C6—Fe—C3 | 161.56 (10) | C5—C4—H4 | 126.1 |
C4—Fe—C3 | 40.43 (10) | Fe—C4—H4 | 125.9 |
C10—Fe—C5 | 107.36 (10) | C1—C5—C4 | 108.87 (19) |
C6—Fe—C5 | 121.88 (10) | C1—C5—Fe | 70.46 (11) |
C4—Fe—C5 | 40.78 (8) | C4—C5—Fe | 69.52 (11) |
C3—Fe—C5 | 68.19 (10) | C1—C5—H5 | 125.6 |
C10—Fe—C7 | 67.61 (11) | C4—C5—H5 | 125.6 |
C6—Fe—C7 | 40.27 (10) | Fe—C5—H5 | 126.0 |
C4—Fe—C7 | 160.62 (10) | C10—C6—C7 | 107.8 (2) |
C3—Fe—C7 | 125.12 (10) | C10—C6—Fe | 69.76 (12) |
C5—Fe—C7 | 157.79 (10) | C7—C6—Fe | 70.04 (12) |
C10—Fe—C9 | 39.88 (9) | C10—C6—H6 | 126.1 |
C6—Fe—C9 | 67.59 (9) | C7—C6—H6 | 126.1 |
C4—Fe—C9 | 107.05 (10) | Fe—C6—H6 | 125.7 |
C3—Fe—C9 | 121.95 (10) | C6—C7—C8 | 107.7 (2) |
C5—Fe—C9 | 123.27 (10) | C6—C7—Fe | 69.69 (12) |
C7—Fe—C9 | 67.70 (10) | C8—C7—Fe | 69.78 (12) |
C10—Fe—C8 | 67.38 (10) | C6—C7—H7 | 126.2 |
C6—Fe—C8 | 67.87 (10) | C8—C7—H7 | 126.2 |
C4—Fe—C8 | 123.46 (10) | Fe—C7—H7 | 125.9 |
C3—Fe—C8 | 108.29 (10) | C9—C8—C7 | 107.7 (2) |
C5—Fe—C8 | 159.52 (10) | C9—C8—Fe | 69.92 (12) |
C7—Fe—C8 | 40.60 (10) | C7—C8—Fe | 69.62 (11) |
C9—Fe—C8 | 40.08 (11) | C9—C8—H8 | 126.2 |
C10—Fe—C2 | 160.61 (9) | C7—C8—H8 | 126.2 |
C6—Fe—C2 | 124.80 (9) | Fe—C8—H8 | 125.9 |
C4—Fe—C2 | 68.44 (9) | C10—C9—C8 | 108.3 (2) |
C3—Fe—C2 | 41.02 (9) | C10—C9—Fe | 69.76 (12) |
C5—Fe—C2 | 67.97 (9) | C8—C9—Fe | 69.99 (12) |
C7—Fe—C2 | 109.15 (9) | C10—C9—H9 | 125.8 |
C9—Fe—C2 | 158.45 (10) | C8—C9—H9 | 125.8 |
C8—Fe—C2 | 123.54 (10) | Fe—C9—H9 | 126.0 |
C10—Fe—C1 | 123.83 (9) | C9—C10—C6 | 108.6 (2) |
C6—Fe—C1 | 108.02 (8) | C9—C10—Fe | 70.36 (13) |
C4—Fe—C1 | 68.68 (8) | C6—C10—Fe | 69.91 (11) |
C3—Fe—C1 | 68.66 (9) | C9—C10—H10 | 125.7 |
C5—Fe—C1 | 40.54 (8) | C6—C10—H10 | 125.7 |
C7—Fe—C1 | 122.85 (9) | Fe—C10—H10 | 125.6 |
C9—Fe—C1 | 159.48 (11) | C1—C11—C12 | 113.53 (16) |
C8—Fe—C1 | 158.87 (10) | C1—C11—H11A | 108.9 |
C2—Fe—C1 | 40.47 (8) | C12—C11—H11A | 108.9 |
C13—O2—C14 | 116.83 (17) | C1—C11—H11B | 108.9 |
C2—C1—C5 | 107.09 (18) | C12—C11—H11B | 108.9 |
C2—C1—C11 | 127.90 (19) | H11A—C11—H11B | 107.7 |
C5—C1—C11 | 124.97 (18) | C13—C12—C11 | 114.07 (16) |
C2—C1—Fe | 69.32 (10) | C13—C12—H12A | 108.7 |
C5—C1—Fe | 69.00 (11) | C11—C12—H12A | 108.7 |
C11—C1—Fe | 128.53 (14) | C13—C12—H12B | 108.7 |
C1—C2—C3 | 108.3 (2) | C11—C12—H12B | 108.7 |
C1—C2—Fe | 70.21 (11) | H12A—C12—H12B | 107.6 |
C3—C2—Fe | 69.17 (12) | O1—C13—O2 | 123.16 (19) |
C1—C2—H2 | 125.9 | O1—C13—C12 | 126.48 (18) |
C3—C2—H2 | 125.9 | O2—C13—C12 | 110.35 (16) |
Fe—C2—H2 | 126.3 | O2—C14—H14A | 109.5 |
C4—C3—C2 | 107.94 (19) | O2—C14—H14B | 109.5 |
C4—C3—Fe | 69.73 (12) | H14A—C14—H14B | 109.5 |
C2—C3—Fe | 69.81 (11) | O2—C14—H14C | 109.5 |
C4—C3—H3 | 126.0 | H14A—C14—H14C | 109.5 |
C2—C3—H3 | 126.0 | H14B—C14—H14C | 109.5 |
Fe—C3—H3 | 126.0 | ||
C10—Fe—C1—C2 | 164.58 (14) | C2—Fe—C5—C4 | 82.08 (14) |
C6—Fe—C1—C2 | 122.92 (14) | C1—Fe—C5—C4 | 119.94 (18) |
C4—Fe—C1—C2 | −81.36 (14) | C4—Fe—C6—C10 | 43.7 (3) |
C3—Fe—C1—C2 | −37.81 (13) | C3—Fe—C6—C10 | −162.1 (3) |
C5—Fe—C1—C2 | −118.77 (18) | C5—Fe—C6—C10 | 79.06 (16) |
C7—Fe—C1—C2 | 81.07 (16) | C7—Fe—C6—C10 | −118.7 (2) |
C9—Fe—C1—C2 | −163.0 (2) | C9—Fe—C6—C10 | −37.18 (15) |
C8—Fe—C1—C2 | 47.8 (3) | C8—Fe—C6—C10 | −80.65 (16) |
C10—Fe—C1—C5 | −76.65 (16) | C2—Fe—C6—C10 | 163.00 (14) |
C6—Fe—C1—C5 | −118.31 (14) | C1—Fe—C6—C10 | 121.43 (14) |
C4—Fe—C1—C5 | 37.41 (13) | C10—Fe—C6—C7 | 118.7 (2) |
C3—Fe—C1—C5 | 80.97 (14) | C4—Fe—C6—C7 | 162.3 (2) |
C7—Fe—C1—C5 | −160.15 (14) | C3—Fe—C6—C7 | −43.4 (3) |
C9—Fe—C1—C5 | −44.3 (3) | C5—Fe—C6—C7 | −162.27 (13) |
C8—Fe—C1—C5 | 166.6 (2) | C9—Fe—C6—C7 | 81.49 (16) |
C2—Fe—C1—C5 | 118.77 (18) | C8—Fe—C6—C7 | 38.01 (14) |
C10—Fe—C1—C11 | 42.0 (2) | C2—Fe—C6—C7 | −78.33 (16) |
C6—Fe—C1—C11 | 0.3 (2) | C1—Fe—C6—C7 | −119.90 (14) |
C4—Fe—C1—C11 | 156.0 (2) | C10—C6—C7—C8 | 0.1 (2) |
C3—Fe—C1—C11 | −160.4 (2) | Fe—C6—C7—C8 | −59.68 (15) |
C5—Fe—C1—C11 | 118.6 (2) | C10—C6—C7—Fe | 59.82 (15) |
C7—Fe—C1—C11 | −41.5 (2) | C10—Fe—C7—C6 | −37.89 (14) |
C9—Fe—C1—C11 | 74.4 (3) | C4—Fe—C7—C6 | −159.0 (2) |
C8—Fe—C1—C11 | −74.8 (3) | C3—Fe—C7—C6 | 164.58 (13) |
C2—Fe—C1—C11 | −122.6 (2) | C5—Fe—C7—C6 | 43.2 (3) |
C5—C1—C2—C3 | 0.0 (2) | C9—Fe—C7—C6 | −81.17 (15) |
C11—C1—C2—C3 | −177.75 (19) | C8—Fe—C7—C6 | −118.8 (2) |
Fe—C1—C2—C3 | 58.89 (14) | C2—Fe—C7—C6 | 121.65 (14) |
C5—C1—C2—Fe | −58.89 (13) | C1—Fe—C7—C6 | 78.90 (15) |
C11—C1—C2—Fe | 123.4 (2) | C10—Fe—C7—C8 | 80.89 (16) |
C10—Fe—C2—C1 | −41.7 (4) | C6—Fe—C7—C8 | 118.8 (2) |
C6—Fe—C2—C1 | −76.45 (16) | C4—Fe—C7—C8 | −40.2 (3) |
C4—Fe—C2—C1 | 81.99 (14) | C3—Fe—C7—C8 | −76.65 (17) |
C3—Fe—C2—C1 | 119.55 (19) | C5—Fe—C7—C8 | 162.0 (2) |
C5—Fe—C2—C1 | 37.92 (12) | C9—Fe—C7—C8 | 37.61 (15) |
C7—Fe—C2—C1 | −118.53 (14) | C2—Fe—C7—C8 | −119.58 (15) |
C9—Fe—C2—C1 | 163.8 (3) | C1—Fe—C7—C8 | −162.32 (14) |
C8—Fe—C2—C1 | −161.31 (13) | C6—C7—C8—C9 | −0.2 (2) |
C10—Fe—C2—C3 | −161.3 (3) | Fe—C7—C8—C9 | −59.81 (15) |
C6—Fe—C2—C3 | 164.00 (14) | C6—C7—C8—Fe | 59.62 (15) |
C4—Fe—C2—C3 | −37.56 (14) | C10—Fe—C8—C9 | 37.25 (15) |
C5—Fe—C2—C3 | −81.63 (15) | C6—Fe—C8—C9 | 81.02 (16) |
C7—Fe—C2—C3 | 121.92 (15) | C4—Fe—C8—C9 | −76.15 (17) |
C9—Fe—C2—C3 | 44.3 (3) | C3—Fe—C8—C9 | −118.21 (15) |
C8—Fe—C2—C3 | 79.14 (17) | C5—Fe—C8—C9 | −41.7 (3) |
C1—Fe—C2—C3 | −119.55 (19) | C7—Fe—C8—C9 | 118.7 (2) |
C1—C2—C3—C4 | 0.0 (2) | C2—Fe—C8—C9 | −160.97 (14) |
Fe—C2—C3—C4 | 59.53 (15) | C1—Fe—C8—C9 | 163.8 (2) |
C1—C2—C3—Fe | −59.54 (14) | C10—Fe—C8—C7 | −81.48 (16) |
C10—Fe—C3—C4 | 45.3 (3) | C6—Fe—C8—C7 | −37.71 (15) |
C6—Fe—C3—C4 | −164.8 (2) | C4—Fe—C8—C7 | 165.11 (14) |
C5—Fe—C3—C4 | −38.01 (13) | C3—Fe—C8—C7 | 123.05 (15) |
C7—Fe—C3—C4 | 162.32 (13) | C5—Fe—C8—C7 | −160.5 (3) |
C9—Fe—C3—C4 | 78.53 (17) | C9—Fe—C8—C7 | −118.7 (2) |
C8—Fe—C3—C4 | 120.49 (15) | C2—Fe—C8—C7 | 80.30 (16) |
C2—Fe—C3—C4 | −119.06 (19) | C1—Fe—C8—C7 | 45.1 (3) |
C1—Fe—C3—C4 | −81.75 (14) | C7—C8—C9—C10 | 0.2 (2) |
C10—Fe—C3—C2 | 164.4 (2) | Fe—C8—C9—C10 | −59.45 (16) |
C6—Fe—C3—C2 | −45.7 (3) | C7—C8—C9—Fe | 59.62 (15) |
C4—Fe—C3—C2 | 119.06 (19) | C6—Fe—C9—C10 | 37.58 (18) |
C5—Fe—C3—C2 | 81.05 (14) | C4—Fe—C9—C10 | −118.54 (17) |
C7—Fe—C3—C2 | −78.62 (16) | C3—Fe—C9—C10 | −160.21 (17) |
C9—Fe—C3—C2 | −162.41 (14) | C5—Fe—C9—C10 | −76.79 (19) |
C8—Fe—C3—C2 | −120.45 (14) | C7—Fe—C9—C10 | 81.29 (18) |
C1—Fe—C3—C2 | 37.31 (13) | C8—Fe—C9—C10 | 119.4 (2) |
C2—C3—C4—C5 | 0.0 (2) | C2—Fe—C9—C10 | 167.1 (2) |
Fe—C3—C4—C5 | 59.59 (14) | C1—Fe—C9—C10 | −43.9 (3) |
C2—C3—C4—Fe | −59.58 (15) | C10—Fe—C9—C8 | −119.4 (2) |
C10—Fe—C4—C3 | −160.75 (14) | C6—Fe—C9—C8 | −81.79 (17) |
C6—Fe—C4—C3 | 167.75 (19) | C4—Fe—C9—C8 | 122.08 (15) |
C5—Fe—C4—C3 | 118.92 (19) | C3—Fe—C9—C8 | 80.41 (18) |
C7—Fe—C4—C3 | −48.5 (3) | C5—Fe—C9—C8 | 163.83 (14) |
C9—Fe—C4—C3 | −119.56 (15) | C7—Fe—C9—C8 | −38.08 (15) |
C8—Fe—C4—C3 | −78.72 (17) | C2—Fe—C9—C8 | 47.7 (3) |
C2—Fe—C4—C3 | 38.09 (13) | C1—Fe—C9—C8 | −163.3 (2) |
C1—Fe—C4—C3 | 81.71 (14) | C8—C9—C10—C6 | −0.1 (3) |
C10—Fe—C4—C5 | 80.33 (15) | Fe—C9—C10—C6 | −59.68 (15) |
C6—Fe—C4—C5 | 48.8 (3) | C8—C9—C10—Fe | 59.60 (15) |
C3—Fe—C4—C5 | −118.92 (19) | C7—C6—C10—C9 | 0.0 (2) |
C7—Fe—C4—C5 | −167.4 (2) | Fe—C6—C10—C9 | 59.96 (16) |
C9—Fe—C4—C5 | 121.52 (14) | C7—C6—C10—Fe | −59.99 (14) |
C8—Fe—C4—C5 | 162.36 (14) | C6—Fe—C10—C9 | −119.4 (2) |
C2—Fe—C4—C5 | −80.83 (13) | C4—Fe—C10—C9 | 79.05 (19) |
C1—Fe—C4—C5 | −37.20 (12) | C3—Fe—C10—C9 | 46.4 (3) |
C2—C1—C5—C4 | 0.0 (2) | C5—Fe—C10—C9 | 121.47 (16) |
C11—C1—C5—C4 | 177.84 (18) | C7—Fe—C10—C9 | −81.55 (18) |
Fe—C1—C5—C4 | −59.08 (14) | C8—Fe—C10—C9 | −37.43 (17) |
C2—C1—C5—Fe | 59.09 (13) | C2—Fe—C10—C9 | −165.7 (3) |
C11—C1—C5—Fe | −123.08 (19) | C1—Fe—C10—C9 | 162.97 (16) |
C3—C4—C5—C1 | 0.0 (2) | C4—Fe—C10—C6 | −161.55 (14) |
Fe—C4—C5—C1 | 59.66 (13) | C3—Fe—C10—C6 | 165.8 (2) |
C3—C4—C5—Fe | −59.67 (15) | C5—Fe—C10—C6 | −119.13 (15) |
C10—Fe—C5—C1 | 122.13 (13) | C7—Fe—C10—C6 | 37.84 (15) |
C6—Fe—C5—C1 | 80.40 (15) | C9—Fe—C10—C6 | 119.4 (2) |
C4—Fe—C5—C1 | −119.94 (18) | C8—Fe—C10—C6 | 81.96 (17) |
C3—Fe—C5—C1 | −82.24 (14) | C2—Fe—C10—C6 | −46.3 (4) |
C7—Fe—C5—C1 | 49.0 (3) | C1—Fe—C10—C6 | −77.63 (18) |
C9—Fe—C5—C1 | 162.98 (13) | C2—C1—C11—C12 | −26.5 (3) |
C8—Fe—C5—C1 | −166.2 (2) | C5—C1—C11—C12 | 156.11 (19) |
C2—Fe—C5—C1 | −37.86 (12) | Fe—C1—C11—C12 | 66.2 (3) |
C10—Fe—C5—C4 | −117.93 (14) | C1—C11—C12—C13 | −178.73 (16) |
C6—Fe—C5—C4 | −159.67 (14) | C14—O2—C13—O1 | 0.4 (3) |
C3—Fe—C5—C4 | 37.70 (13) | C14—O2—C13—C12 | −178.75 (16) |
C7—Fe—C5—C4 | 168.9 (2) | C11—C12—C13—O1 | 5.8 (3) |
C9—Fe—C5—C4 | −77.08 (16) | C11—C12—C13—O2 | −175.11 (18) |
C8—Fe—C5—C4 | −46.3 (3) |
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