Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805042844/ci6736sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805042844/ci6736Isup2.hkl |
CCDC reference: 285950
Key indicators
- Single-crystal X-ray study
- T = 294 K
- Mean (C-C) = 0.005 Å
- R factor = 0.032
- wR factor = 0.076
- Data-to-parameter ratio = 17.1
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.66 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pd1 - Cl1 .. 6.12 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C37
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
[FePd(C5H5)(C15H17NO)Cl(C18H15P)] | F(000) = 1536 |
Mr = 752.36 | Dx = 1.495 Mg m−3 |
Monoclinic, P21/c | Melting point: 489 K |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 17.6945 (19) Å | Cell parameters from 6333 reflections |
b = 16.1753 (17) Å | θ = 2.4–26.3° |
c = 12.1585 (13) Å | µ = 1.13 mm−1 |
β = 106.128 (2)° | T = 294 K |
V = 3343.0 (6) Å3 | Prism, red |
Z = 4 | 0.30 × 0.26 × 0.20 mm |
Bruker APEX-II CCD area-detector diffractometer | 6828 independent reflections |
Radiation source: fine-focus sealed tube | 5059 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.036 |
φ and ω scans | θmax = 26.4°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −22→20 |
Tmin = 0.670, Tmax = 0.798 | k = −9→20 |
18615 measured reflections | l = −14→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)] = 0.032 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.076 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0342P)2 + 0.4688P] where P = (Fo2 + 2Fc2)/3 |
6828 reflections | (Δ/σ)max = 0.001 |
399 parameters | Δρmax = 0.37 e Å−3 |
12 restraints | Δρmin = −0.48 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 | ||
Pd1 | 0.299649 (12) | 0.487131 (13) | 0.769724 (17) | 0.03035 (7) | |
Fe1 | 0.16211 (3) | 0.62749 (3) | 0.85745 (3) | 0.03772 (11) | |
P1 | 0.21637 (4) | 0.39615 (4) | 0.66307 (6) | 0.03324 (17) | |
Cl1 | 0.40515 (4) | 0.39060 (5) | 0.83126 (7) | 0.0496 (2) | |
O1 | 0.45485 (16) | 0.65863 (16) | 0.3716 (2) | 0.0719 (7) | |
N1 | 0.37467 (13) | 0.58981 (14) | 0.85107 (18) | 0.0357 (5) | |
C1 | 0.1782 (3) | 0.5588 (3) | 1.0039 (3) | 0.0678 (11) | |
H1 | 0.2070 | 0.5102 | 1.0217 | 0.081* | |
C2 | 0.0970 (2) | 0.5647 (2) | 0.9449 (3) | 0.0659 (10) | |
H2 | 0.0633 | 0.5210 | 0.9159 | 0.079* | |
C3 | 0.0770 (2) | 0.6494 (2) | 0.9383 (3) | 0.0595 (10) | |
H3 | 0.0272 | 0.6712 | 0.9053 | 0.071* | |
C4 | 0.1448 (2) | 0.6950 (2) | 0.9900 (3) | 0.0608 (10) | |
H4 | 0.1481 | 0.7523 | 0.9962 | 0.073* | |
C5 | 0.2074 (2) | 0.6391 (3) | 1.0309 (3) | 0.0657 (11) | |
H5 | 0.2590 | 0.6530 | 1.0690 | 0.079* | |
C6 | 0.21614 (16) | 0.57374 (17) | 0.7409 (2) | 0.0326 (6) | |
C7 | 0.13347 (17) | 0.58201 (17) | 0.6943 (2) | 0.0372 (7) | |
H7 | 0.0985 | 0.5389 | 0.6672 | 0.045* | |
C8 | 0.11272 (18) | 0.66683 (18) | 0.6958 (2) | 0.0420 (7) | |
H8 | 0.0624 | 0.6887 | 0.6687 | 0.050* | |
C9 | 0.18243 (18) | 0.71212 (18) | 0.7458 (2) | 0.0419 (7) | |
H9 | 0.1861 | 0.7689 | 0.7578 | 0.050* | |
C10 | 0.24550 (17) | 0.65459 (17) | 0.7740 (2) | 0.0343 (6) | |
C11 | 0.33181 (17) | 0.66982 (18) | 0.8169 (3) | 0.0434 (7) | |
H11A | 0.3425 | 0.7067 | 0.8823 | 0.052* | |
H11B | 0.3503 | 0.6961 | 0.7575 | 0.052* | |
C12 | 0.38883 (19) | 0.5754 (2) | 0.9757 (2) | 0.0504 (8) | |
H12A | 0.4136 | 0.5226 | 0.9956 | 0.076* | |
H12B | 0.3396 | 0.5761 | 0.9944 | 0.076* | |
H12C | 0.4224 | 0.6180 | 1.0176 | 0.076* | |
C13 | 0.45327 (16) | 0.5931 (2) | 0.8282 (2) | 0.0427 (7) | |
H13A | 0.4800 | 0.5410 | 0.8516 | 0.051* | |
H13B | 0.4843 | 0.6362 | 0.8754 | 0.051* | |
C14 | 0.45067 (16) | 0.60926 (18) | 0.7047 (2) | 0.0364 (7) | |
C15 | 0.48402 (18) | 0.68061 (19) | 0.6746 (3) | 0.0462 (8) | |
H15 | 0.5063 | 0.7194 | 0.7307 | 0.055* | |
C16 | 0.48462 (19) | 0.6947 (2) | 0.5640 (3) | 0.0515 (8) | |
H16 | 0.5073 | 0.7428 | 0.5457 | 0.062* | |
C17 | 0.45219 (18) | 0.6385 (2) | 0.4800 (3) | 0.0479 (8) | |
C18 | 0.41941 (18) | 0.5658 (2) | 0.5071 (3) | 0.0509 (8) | |
H18 | 0.3971 | 0.5274 | 0.4505 | 0.061* | |
C19 | 0.42058 (18) | 0.5516 (2) | 0.6202 (3) | 0.0471 (8) | |
H19 | 0.4007 | 0.5021 | 0.6394 | 0.056* | |
C20 | 0.4176 (3) | 0.6050 (3) | 0.2806 (3) | 0.0854 (13) | |
H20A | 0.4371 | 0.5498 | 0.2984 | 0.128* | |
H20B | 0.4287 | 0.6231 | 0.2115 | 0.128* | |
H20C | 0.3618 | 0.6057 | 0.2702 | 0.128* | |
C21 | 0.13348 (17) | 0.37401 (16) | 0.7198 (3) | 0.0397 (7) | |
C22 | 0.05598 (19) | 0.3664 (2) | 0.6541 (3) | 0.0606 (10) | |
H22 | 0.0432 | 0.3709 | 0.5748 | 0.073* | |
C23 | −0.0028 (2) | 0.3518 (2) | 0.7086 (5) | 0.0812 (13) | |
H23 | −0.0548 | 0.3469 | 0.6651 | 0.097* | |
C24 | 0.0153 (3) | 0.3447 (2) | 0.8244 (5) | 0.0858 (15) | |
H24 | −0.0245 | 0.3353 | 0.8592 | 0.103* | |
C25 | 0.0904 (3) | 0.3511 (2) | 0.8889 (4) | 0.0761 (13) | |
H25 | 0.1022 | 0.3455 | 0.9680 | 0.091* | |
C26 | 0.1503 (2) | 0.36605 (19) | 0.8379 (3) | 0.0527 (9) | |
H26 | 0.2020 | 0.3708 | 0.8832 | 0.063* | |
C27 | 0.17878 (17) | 0.42813 (19) | 0.5141 (3) | 0.0410 (7) | |
C28 | 0.2022 (2) | 0.50246 (19) | 0.4779 (3) | 0.0503 (8) | |
H28 | 0.2340 | 0.5383 | 0.5307 | 0.060* | |
C29 | 0.1783 (3) | 0.5235 (3) | 0.3626 (3) | 0.0742 (12) | |
H29 | 0.1948 | 0.5732 | 0.3385 | 0.089* | |
C30 | 0.1306 (3) | 0.4718 (3) | 0.2843 (3) | 0.0859 (14) | |
H30 | 0.1138 | 0.4868 | 0.2075 | 0.103* | |
C31 | 0.1077 (3) | 0.3978 (3) | 0.3196 (4) | 0.0839 (13) | |
H31 | 0.0754 | 0.3626 | 0.2664 | 0.101* | |
C32 | 0.1320 (2) | 0.3754 (2) | 0.4323 (3) | 0.0602 (9) | |
H32 | 0.1172 | 0.3244 | 0.4547 | 0.072* | |
C33 | 0.25737 (16) | 0.29417 (18) | 0.6471 (3) | 0.0403 (7) | |
C34 | 0.30239 (19) | 0.2848 (2) | 0.5717 (3) | 0.0561 (9) | |
H34 | 0.3109 | 0.3300 | 0.5293 | 0.067* | |
C35 | 0.3347 (2) | 0.2097 (3) | 0.5584 (4) | 0.0700 (11) | |
H35 | 0.3634 | 0.2038 | 0.5053 | 0.084* | |
C36 | 0.3248 (2) | 0.1442 (3) | 0.6222 (4) | 0.0771 (13) | |
H36 | 0.3475 | 0.0935 | 0.6138 | 0.093* | |
C37 | 0.2824 (3) | 0.1523 (2) | 0.6978 (4) | 0.0873 (14) | |
H37 | 0.2760 | 0.1070 | 0.7415 | 0.105* | |
C38 | 0.2480 (2) | 0.2275 (2) | 0.7113 (3) | 0.0641 (10) | |
H38 | 0.2187 | 0.2325 | 0.7637 | 0.077* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.02961 (12) | 0.03259 (13) | 0.02879 (12) | −0.00091 (9) | 0.00798 (9) | 0.00141 (9) |
Fe1 | 0.0464 (3) | 0.0391 (3) | 0.0300 (2) | 0.00547 (19) | 0.0146 (2) | −0.00099 (18) |
P1 | 0.0324 (4) | 0.0319 (4) | 0.0369 (4) | −0.0013 (3) | 0.0121 (3) | −0.0028 (3) |
Cl1 | 0.0381 (4) | 0.0465 (5) | 0.0611 (5) | 0.0056 (3) | 0.0086 (4) | 0.0135 (4) |
O1 | 0.094 (2) | 0.0875 (19) | 0.0419 (15) | 0.0050 (15) | 0.0315 (14) | 0.0139 (13) |
N1 | 0.0355 (13) | 0.0456 (15) | 0.0252 (13) | −0.0081 (11) | 0.0070 (10) | −0.0027 (10) |
C1 | 0.091 (3) | 0.077 (3) | 0.048 (2) | 0.028 (2) | 0.039 (2) | 0.022 (2) |
C2 | 0.081 (3) | 0.071 (3) | 0.061 (2) | −0.002 (2) | 0.045 (2) | 0.0071 (19) |
C3 | 0.059 (2) | 0.083 (3) | 0.044 (2) | 0.015 (2) | 0.0263 (18) | −0.0021 (18) |
C4 | 0.080 (3) | 0.069 (3) | 0.038 (2) | 0.013 (2) | 0.0246 (19) | −0.0143 (17) |
C5 | 0.067 (3) | 0.103 (3) | 0.0265 (18) | 0.017 (2) | 0.0131 (17) | −0.0042 (19) |
C6 | 0.0367 (17) | 0.0351 (16) | 0.0267 (15) | 0.0024 (12) | 0.0097 (13) | −0.0029 (11) |
C7 | 0.0389 (17) | 0.0375 (17) | 0.0353 (17) | 0.0019 (13) | 0.0103 (13) | −0.0063 (12) |
C8 | 0.0473 (19) | 0.0465 (19) | 0.0309 (16) | 0.0136 (15) | 0.0085 (14) | 0.0043 (13) |
C9 | 0.062 (2) | 0.0313 (17) | 0.0351 (17) | 0.0044 (14) | 0.0187 (16) | −0.0005 (12) |
C10 | 0.0433 (17) | 0.0378 (17) | 0.0233 (14) | −0.0030 (13) | 0.0117 (13) | −0.0027 (12) |
C11 | 0.0488 (19) | 0.0383 (18) | 0.0435 (19) | −0.0091 (14) | 0.0134 (15) | −0.0052 (13) |
C12 | 0.0483 (19) | 0.072 (2) | 0.0289 (17) | −0.0112 (17) | 0.0070 (15) | −0.0013 (15) |
C13 | 0.0342 (17) | 0.056 (2) | 0.0366 (17) | −0.0117 (14) | 0.0079 (14) | −0.0031 (14) |
C14 | 0.0325 (16) | 0.0436 (18) | 0.0338 (16) | −0.0044 (13) | 0.0102 (13) | −0.0024 (13) |
C15 | 0.0468 (19) | 0.0448 (19) | 0.048 (2) | −0.0081 (15) | 0.0153 (15) | −0.0025 (15) |
C16 | 0.060 (2) | 0.048 (2) | 0.049 (2) | −0.0046 (16) | 0.0204 (18) | 0.0121 (16) |
C17 | 0.046 (2) | 0.062 (2) | 0.0411 (19) | 0.0131 (16) | 0.0206 (16) | 0.0130 (16) |
C18 | 0.049 (2) | 0.065 (2) | 0.0385 (19) | −0.0086 (17) | 0.0137 (16) | −0.0110 (16) |
C19 | 0.052 (2) | 0.050 (2) | 0.0422 (19) | −0.0139 (16) | 0.0174 (16) | 0.0011 (15) |
C20 | 0.091 (3) | 0.127 (4) | 0.042 (2) | 0.006 (3) | 0.025 (2) | 0.004 (2) |
C21 | 0.0382 (17) | 0.0265 (16) | 0.060 (2) | −0.0006 (12) | 0.0229 (15) | −0.0051 (13) |
C22 | 0.045 (2) | 0.056 (2) | 0.085 (3) | −0.0081 (17) | 0.025 (2) | −0.0163 (19) |
C23 | 0.050 (2) | 0.070 (3) | 0.134 (4) | −0.0153 (19) | 0.042 (3) | −0.034 (3) |
C24 | 0.090 (3) | 0.053 (2) | 0.145 (4) | −0.025 (2) | 0.083 (3) | −0.027 (3) |
C25 | 0.110 (4) | 0.051 (2) | 0.090 (3) | −0.003 (2) | 0.067 (3) | 0.000 (2) |
C26 | 0.059 (2) | 0.051 (2) | 0.059 (2) | 0.0004 (16) | 0.0349 (19) | 0.0052 (16) |
C27 | 0.0364 (17) | 0.0457 (19) | 0.0409 (18) | 0.0036 (14) | 0.0106 (14) | −0.0061 (14) |
C28 | 0.060 (2) | 0.051 (2) | 0.0424 (19) | 0.0110 (16) | 0.0182 (16) | 0.0031 (15) |
C29 | 0.090 (3) | 0.079 (3) | 0.058 (3) | 0.026 (2) | 0.027 (2) | 0.022 (2) |
C30 | 0.090 (3) | 0.126 (4) | 0.036 (2) | 0.033 (3) | 0.009 (2) | 0.006 (3) |
C31 | 0.075 (3) | 0.114 (4) | 0.049 (3) | 0.010 (3) | −0.005 (2) | −0.027 (2) |
C32 | 0.059 (2) | 0.065 (2) | 0.050 (2) | −0.0017 (18) | 0.0043 (18) | −0.0134 (17) |
C33 | 0.0340 (16) | 0.0376 (18) | 0.0489 (19) | 0.0003 (13) | 0.0109 (14) | −0.0111 (14) |
C34 | 0.050 (2) | 0.060 (2) | 0.064 (2) | 0.0068 (17) | 0.0253 (18) | −0.0066 (18) |
C35 | 0.049 (2) | 0.085 (3) | 0.082 (3) | 0.009 (2) | 0.028 (2) | −0.030 (2) |
C36 | 0.054 (2) | 0.052 (3) | 0.125 (4) | 0.0080 (19) | 0.025 (3) | −0.033 (2) |
C37 | 0.091 (3) | 0.038 (2) | 0.146 (4) | 0.013 (2) | 0.056 (3) | 0.011 (2) |
C38 | 0.069 (3) | 0.042 (2) | 0.094 (3) | 0.0090 (18) | 0.043 (2) | 0.0065 (19) |
Pd1—C6 | 1.995 (3) | C13—H13B | 0.97 |
Pd1—N1 | 2.184 (2) | C14—C19 | 1.380 (4) |
Pd1—P1 | 2.2264 (8) | C14—C15 | 1.390 (4) |
Pd1—Cl1 | 2.3889 (8) | C15—C16 | 1.368 (4) |
Fe1—C8 | 2.020 (3) | C15—H15 | 0.93 |
Fe1—C9 | 2.029 (3) | C16—C17 | 1.368 (4) |
Fe1—C4 | 2.039 (3) | C16—H16 | 0.93 |
Fe1—C2 | 2.042 (3) | C17—C18 | 1.391 (4) |
Fe1—C7 | 2.043 (3) | C18—C19 | 1.389 (4) |
Fe1—C5 | 2.045 (3) | C18—H18 | 0.93 |
Fe1—C3 | 2.045 (3) | C19—H19 | 0.93 |
Fe1—C1 | 2.051 (3) | C20—H20A | 0.96 |
Fe1—C10 | 2.057 (3) | C20—H20B | 0.96 |
Fe1—C6 | 2.105 (3) | C20—H20C | 0.96 |
P1—C21 | 1.821 (3) | C21—C22 | 1.388 (4) |
P1—C27 | 1.822 (3) | C21—C26 | 1.390 (4) |
P1—C33 | 1.834 (3) | C22—C23 | 1.400 (5) |
O1—C17 | 1.370 (3) | C22—H22 | 0.93 |
O1—C20 | 1.416 (4) | C23—C24 | 1.359 (6) |
N1—C12 | 1.484 (3) | C23—H23 | 0.93 |
N1—C13 | 1.493 (3) | C24—C25 | 1.347 (6) |
N1—C11 | 1.499 (4) | C24—H24 | 0.93 |
C1—C5 | 1.402 (5) | C25—C26 | 1.390 (5) |
C1—C2 | 1.419 (5) | C25—H25 | 0.93 |
C1—H1 | 0.93 | C26—H26 | 0.93 |
C2—C3 | 1.411 (5) | C27—C28 | 1.383 (4) |
C2—H2 | 0.93 | C27—C32 | 1.395 (4) |
C3—C4 | 1.400 (5) | C28—C29 | 1.389 (5) |
C3—H3 | 0.93 | C28—H28 | 0.93 |
C4—C5 | 1.408 (5) | C29—C30 | 1.368 (6) |
C4—H4 | 0.93 | C29—H29 | 0.93 |
C5—H5 | 0.93 | C30—C31 | 1.370 (6) |
C6—C7 | 1.421 (4) | C30—H30 | 0.93 |
C6—C10 | 1.423 (4) | C31—C32 | 1.366 (5) |
C7—C8 | 1.422 (4) | C31—H31 | 0.93 |
C7—H7 | 0.93 | C32—H32 | 0.93 |
C8—C9 | 1.418 (4) | C33—C38 | 1.368 (4) |
C8—H8 | 0.93 | C33—C34 | 1.380 (4) |
C9—C10 | 1.420 (4) | C34—C35 | 1.371 (5) |
C9—H9 | 0.93 | C34—H34 | 0.93 |
C10—C11 | 1.491 (4) | C35—C36 | 1.353 (5) |
C11—H11A | 0.97 | C35—H35 | 0.93 |
C11—H11B | 0.97 | C36—C37 | 1.345 (5) |
C12—H12A | 0.96 | C36—H36 | 0.93 |
C12—H12B | 0.96 | C37—C38 | 1.391 (5) |
C12—H12C | 0.96 | C37—H37 | 0.93 |
C13—C14 | 1.513 (4) | C38—H38 | 0.93 |
C13—H13A | 0.97 | ||
C6—Pd1—N1 | 82.70 (10) | C7—C8—H8 | 126.1 |
C6—Pd1—P1 | 91.36 (8) | Fe1—C8—H8 | 125.3 |
N1—Pd1—P1 | 170.80 (6) | C8—C9—C10 | 107.3 (3) |
C6—Pd1—Cl1 | 171.93 (8) | C8—C9—Fe1 | 69.13 (16) |
N1—Pd1—Cl1 | 91.80 (7) | C10—C9—Fe1 | 70.70 (16) |
P1—Pd1—Cl1 | 94.79 (3) | C8—C9—H9 | 126.4 |
C8—Fe1—C9 | 41.01 (12) | C10—C9—H9 | 126.4 |
C8—Fe1—C4 | 118.77 (13) | Fe1—C9—H9 | 125.4 |
C9—Fe1—C4 | 105.12 (14) | C9—C10—C6 | 109.5 (3) |
C8—Fe1—C2 | 120.62 (15) | C9—C10—C11 | 129.5 (3) |
C9—Fe1—C2 | 156.10 (15) | C6—C10—C11 | 120.6 (2) |
C4—Fe1—C2 | 67.94 (16) | C9—C10—Fe1 | 68.63 (16) |
C8—Fe1—C7 | 40.96 (11) | C6—C10—Fe1 | 71.83 (15) |
C9—Fe1—C7 | 68.63 (12) | C11—C10—Fe1 | 131.9 (2) |
C4—Fe1—C7 | 155.38 (13) | C10—C11—N1 | 110.2 (2) |
C2—Fe1—C7 | 107.64 (14) | C10—C11—H11A | 109.6 |
C8—Fe1—C5 | 156.07 (15) | N1—C11—H11A | 109.6 |
C9—Fe1—C5 | 122.44 (16) | C10—C11—H11B | 109.6 |
C4—Fe1—C5 | 40.34 (14) | N1—C11—H11B | 109.6 |
C2—Fe1—C5 | 67.96 (17) | H11A—C11—H11B | 108.1 |
C7—Fe1—C5 | 162.61 (14) | N1—C12—H12A | 109.5 |
C8—Fe1—C3 | 103.66 (13) | N1—C12—H12B | 109.5 |
C9—Fe1—C3 | 119.73 (14) | H12A—C12—H12B | 109.5 |
C4—Fe1—C3 | 40.10 (14) | N1—C12—H12C | 109.5 |
C2—Fe1—C3 | 40.39 (14) | H12A—C12—H12C | 109.5 |
C7—Fe1—C3 | 120.80 (13) | H12B—C12—H12C | 109.5 |
C5—Fe1—C3 | 67.55 (15) | N1—C13—C14 | 114.7 (2) |
C8—Fe1—C1 | 159.10 (17) | N1—C13—H13A | 108.6 |
C9—Fe1—C1 | 159.87 (16) | C14—C13—H13A | 108.6 |
C4—Fe1—C1 | 67.58 (15) | N1—C13—H13B | 108.6 |
C2—Fe1—C1 | 40.59 (15) | C14—C13—H13B | 108.6 |
C7—Fe1—C1 | 125.84 (15) | H13A—C13—H13B | 107.6 |
C5—Fe1—C1 | 40.03 (15) | C19—C14—C15 | 118.0 (3) |
C3—Fe1—C1 | 67.61 (15) | C19—C14—C13 | 121.4 (3) |
C8—Fe1—C10 | 68.19 (12) | C15—C14—C13 | 120.4 (3) |
C9—Fe1—C10 | 40.67 (11) | C16—C15—C14 | 121.1 (3) |
C4—Fe1—C10 | 124.15 (14) | C16—C15—H15 | 119.5 |
C2—Fe1—C10 | 161.58 (14) | C14—C15—H15 | 119.5 |
C7—Fe1—C10 | 67.44 (11) | C15—C16—C17 | 120.5 (3) |
C5—Fe1—C10 | 111.09 (14) | C15—C16—H16 | 119.7 |
C3—Fe1—C10 | 157.70 (14) | C17—C16—H16 | 119.7 |
C1—Fe1—C10 | 126.76 (14) | C16—C17—O1 | 116.1 (3) |
C8—Fe1—C6 | 68.25 (11) | C16—C17—C18 | 120.0 (3) |
C9—Fe1—C6 | 68.30 (11) | O1—C17—C18 | 123.8 (3) |
C4—Fe1—C6 | 161.67 (14) | C19—C18—C17 | 118.9 (3) |
C2—Fe1—C6 | 124.95 (14) | C19—C18—H18 | 120.6 |
C7—Fe1—C6 | 40.02 (10) | C17—C18—H18 | 120.6 |
C5—Fe1—C6 | 127.66 (13) | C14—C19—C18 | 121.4 (3) |
C3—Fe1—C6 | 158.13 (14) | C14—C19—H19 | 119.3 |
C1—Fe1—C6 | 112.45 (13) | C18—C19—H19 | 119.3 |
C10—Fe1—C6 | 39.98 (10) | O1—C20—H20A | 109.5 |
C21—P1—C27 | 108.79 (14) | O1—C20—H20B | 109.5 |
C21—P1—C33 | 104.30 (13) | H20A—C20—H20B | 109.5 |
C27—P1—C33 | 101.30 (14) | O1—C20—H20C | 109.5 |
C21—P1—Pd1 | 112.45 (10) | H20A—C20—H20C | 109.5 |
C27—P1—Pd1 | 113.02 (10) | H20B—C20—H20C | 109.5 |
C33—P1—Pd1 | 116.04 (10) | C22—C21—C26 | 118.7 (3) |
C17—O1—C20 | 118.2 (3) | C22—C21—P1 | 124.8 (3) |
C12—N1—C13 | 107.1 (2) | C26—C21—P1 | 116.5 (2) |
C12—N1—C11 | 110.3 (2) | C21—C22—C23 | 119.2 (4) |
C13—N1—C11 | 110.1 (2) | C21—C22—H22 | 120.4 |
C12—N1—Pd1 | 104.57 (17) | C23—C22—H22 | 120.4 |
C13—N1—Pd1 | 115.03 (17) | C24—C23—C22 | 120.9 (4) |
C11—N1—Pd1 | 109.51 (16) | C24—C23—H23 | 119.6 |
C5—C1—C2 | 108.1 (4) | C22—C23—H23 | 119.6 |
C5—C1—Fe1 | 69.8 (2) | C25—C24—C23 | 120.5 (4) |
C2—C1—Fe1 | 69.4 (2) | C25—C24—H24 | 119.8 |
C5—C1—H1 | 125.9 | C23—C24—H24 | 119.8 |
C2—C1—H1 | 125.9 | C24—C25—C26 | 120.3 (4) |
Fe1—C1—H1 | 126.5 | C24—C25—H25 | 119.8 |
C3—C2—C1 | 107.3 (4) | C26—C25—H25 | 119.8 |
C3—C2—Fe1 | 69.95 (19) | C25—C26—C21 | 120.4 (4) |
C1—C2—Fe1 | 70.1 (2) | C25—C26—H26 | 119.8 |
C3—C2—H2 | 126.4 | C21—C26—H26 | 119.8 |
C1—C2—H2 | 126.4 | C28—C27—C32 | 118.4 (3) |
Fe1—C2—H2 | 125.2 | C28—C27—P1 | 120.3 (2) |
C4—C3—C2 | 108.4 (3) | C32—C27—P1 | 121.1 (3) |
C4—C3—Fe1 | 69.69 (18) | C27—C28—C29 | 120.0 (3) |
C2—C3—Fe1 | 69.66 (18) | C27—C28—H28 | 120.0 |
C4—C3—H3 | 125.8 | C29—C28—H28 | 120.0 |
C2—C3—H3 | 125.8 | C30—C29—C28 | 120.6 (4) |
Fe1—C3—H3 | 126.4 | C30—C29—H29 | 119.7 |
C3—C4—C5 | 108.1 (4) | C28—C29—H29 | 119.7 |
C3—C4—Fe1 | 70.21 (19) | C29—C30—C31 | 119.7 (4) |
C5—C4—Fe1 | 70.09 (18) | C29—C30—H30 | 120.2 |
C3—C4—H4 | 125.9 | C31—C30—H30 | 120.2 |
C5—C4—H4 | 125.9 | C32—C31—C30 | 120.5 (4) |
Fe1—C4—H4 | 125.4 | C32—C31—H31 | 119.8 |
C1—C5—C4 | 108.1 (4) | C30—C31—H31 | 119.8 |
C1—C5—Fe1 | 70.2 (2) | C31—C32—C27 | 120.8 (4) |
C4—C5—Fe1 | 69.57 (19) | C31—C32—H32 | 119.6 |
C1—C5—H5 | 126.0 | C27—C32—H32 | 119.6 |
C4—C5—H5 | 126.0 | C38—C33—C34 | 118.5 (3) |
Fe1—C5—H5 | 125.8 | C38—C33—P1 | 122.3 (2) |
C7—C6—C10 | 106.3 (2) | C34—C33—P1 | 119.2 (2) |
C7—C6—Pd1 | 140.0 (2) | C35—C34—C33 | 120.8 (3) |
C10—C6—Pd1 | 113.6 (2) | C35—C34—H34 | 119.6 |
C7—C6—Fe1 | 67.66 (15) | C33—C34—H34 | 119.6 |
C10—C6—Fe1 | 68.19 (15) | C36—C35—C34 | 120.2 (4) |
Pd1—C6—Fe1 | 128.64 (13) | C36—C35—H35 | 119.9 |
C6—C7—C8 | 109.1 (3) | C34—C35—H35 | 119.9 |
C6—C7—Fe1 | 72.32 (16) | C37—C36—C35 | 120.1 (4) |
C8—C7—Fe1 | 68.63 (16) | C37—C36—H36 | 120.0 |
C6—C7—H7 | 125.5 | C35—C36—H36 | 120.0 |
C8—C7—H7 | 125.5 | C36—C37—C38 | 120.8 (4) |
Fe1—C7—H7 | 125.2 | C36—C37—H37 | 119.6 |
C9—C8—C7 | 107.9 (3) | C38—C37—H37 | 119.6 |
C9—C8—Fe1 | 69.86 (16) | C33—C38—C37 | 119.7 (3) |
C7—C8—Fe1 | 70.41 (16) | C33—C38—H38 | 120.1 |
C9—C8—H8 | 126.1 | C37—C38—H38 | 120.1 |
C6—Pd1—P1—C21 | −61.60 (13) | C10—Fe1—C7—C6 | 37.30 (16) |
Cl1—Pd1—P1—C21 | 113.18 (11) | C9—Fe1—C7—C8 | −38.25 (17) |
C6—Pd1—P1—C27 | 62.06 (12) | C4—Fe1—C7—C8 | 41.3 (4) |
Cl1—Pd1—P1—C27 | −123.17 (10) | C2—Fe1—C7—C8 | 116.7 (2) |
C6—Pd1—P1—C33 | 178.45 (13) | C5—Fe1—C7—C8 | −170.9 (5) |
Cl1—Pd1—P1—C33 | −6.78 (12) | C3—Fe1—C7—C8 | 74.5 (2) |
C6—Pd1—N1—C12 | 103.78 (19) | C1—Fe1—C7—C8 | 157.8 (2) |
Cl1—Pd1—N1—C12 | −70.29 (18) | C10—Fe1—C7—C8 | −82.24 (19) |
C6—Pd1—N1—C13 | −139.1 (2) | C6—Fe1—C7—C8 | −119.5 (2) |
Cl1—Pd1—N1—C13 | 46.86 (18) | C6—C7—C8—C9 | −1.2 (3) |
C6—Pd1—N1—C11 | −14.46 (17) | Fe1—C7—C8—C9 | 60.09 (19) |
Cl1—Pd1—N1—C11 | 171.47 (16) | C6—C7—C8—Fe1 | −61.29 (19) |
C8—Fe1—C1—C5 | −150.0 (3) | C4—Fe1—C8—C9 | 79.8 (2) |
C9—Fe1—C1—C5 | 34.5 (5) | C2—Fe1—C8—C9 | 159.79 (19) |
C4—Fe1—C1—C5 | −37.7 (2) | C7—Fe1—C8—C9 | −118.5 (2) |
C2—Fe1—C1—C5 | −119.5 (3) | C5—Fe1—C8—C9 | 54.8 (4) |
C7—Fe1—C1—C5 | 166.0 (2) | C3—Fe1—C8—C9 | 119.88 (19) |
C3—Fe1—C1—C5 | −81.3 (2) | C1—Fe1—C8—C9 | −177.7 (3) |
C10—Fe1—C1—C5 | 79.0 (3) | C10—Fe1—C8—C9 | −38.28 (16) |
C6—Fe1—C1—C5 | 122.4 (2) | C6—Fe1—C8—C9 | −81.49 (17) |
C8—Fe1—C1—C2 | −30.5 (5) | C9—Fe1—C8—C7 | 118.5 (2) |
C9—Fe1—C1—C2 | 154.0 (3) | C4—Fe1—C8—C7 | −161.72 (19) |
C4—Fe1—C1—C2 | 81.8 (2) | C2—Fe1—C8—C7 | −81.7 (2) |
C7—Fe1—C1—C2 | −74.4 (3) | C5—Fe1—C8—C7 | 173.3 (3) |
C5—Fe1—C1—C2 | 119.5 (3) | C3—Fe1—C8—C7 | −121.59 (19) |
C3—Fe1—C1—C2 | 38.3 (2) | C1—Fe1—C8—C7 | −59.1 (4) |
C10—Fe1—C1—C2 | −161.5 (2) | C10—Fe1—C8—C7 | 80.24 (18) |
C6—Fe1—C1—C2 | −118.1 (2) | C6—Fe1—C8—C7 | 37.04 (16) |
C5—C1—C2—C3 | −1.1 (4) | C7—C8—C9—C10 | 0.3 (3) |
Fe1—C1—C2—C3 | −60.4 (2) | Fe1—C8—C9—C10 | 60.73 (19) |
C5—C1—C2—Fe1 | 59.2 (2) | C7—C8—C9—Fe1 | −60.43 (19) |
C8—Fe1—C2—C3 | −74.2 (3) | C4—Fe1—C9—C8 | −116.68 (19) |
C9—Fe1—C2—C3 | −40.2 (5) | C2—Fe1—C9—C8 | −47.2 (4) |
C4—Fe1—C2—C3 | 37.1 (2) | C7—Fe1—C9—C8 | 38.21 (16) |
C7—Fe1—C2—C3 | −117.1 (2) | C5—Fe1—C9—C8 | −156.88 (18) |
C5—Fe1—C2—C3 | 80.8 (2) | C3—Fe1—C9—C8 | −76.0 (2) |
C1—Fe1—C2—C3 | 117.9 (3) | C1—Fe1—C9—C8 | 177.6 (4) |
C10—Fe1—C2—C3 | 171.5 (4) | C10—Fe1—C9—C8 | 118.0 (2) |
C6—Fe1—C2—C3 | −157.8 (2) | C6—Fe1—C9—C8 | 81.38 (17) |
C8—Fe1—C2—C1 | 167.9 (2) | C8—Fe1—C9—C10 | −118.0 (2) |
C9—Fe1—C2—C1 | −158.1 (3) | C4—Fe1—C9—C10 | 125.29 (18) |
C4—Fe1—C2—C1 | −80.8 (2) | C2—Fe1—C9—C10 | −165.2 (3) |
C7—Fe1—C2—C1 | 125.0 (2) | C7—Fe1—C9—C10 | −79.82 (17) |
C5—Fe1—C2—C1 | −37.1 (2) | C5—Fe1—C9—C10 | 85.1 (2) |
C3—Fe1—C2—C1 | −117.9 (3) | C3—Fe1—C9—C10 | 165.99 (18) |
C10—Fe1—C2—C1 | 53.6 (5) | C1—Fe1—C9—C10 | 59.6 (4) |
C6—Fe1—C2—C1 | 84.3 (3) | C6—Fe1—C9—C10 | −36.65 (16) |
C1—C2—C3—C4 | 1.3 (4) | C8—C9—C10—C6 | 0.7 (3) |
Fe1—C2—C3—C4 | −59.1 (2) | Fe1—C9—C10—C6 | 60.44 (19) |
C1—C2—C3—Fe1 | 60.4 (2) | C8—C9—C10—C11 | 172.9 (3) |
C8—Fe1—C3—C4 | −118.7 (2) | Fe1—C9—C10—C11 | −127.4 (3) |
C9—Fe1—C3—C4 | −77.8 (2) | C8—C9—C10—Fe1 | −59.73 (19) |
C2—Fe1—C3—C4 | 119.7 (3) | C7—C6—C10—C9 | −1.4 (3) |
C7—Fe1—C3—C4 | −159.3 (2) | Pd1—C6—C10—C9 | 177.52 (18) |
C5—Fe1—C3—C4 | 37.8 (2) | Fe1—C6—C10—C9 | −58.49 (19) |
C1—Fe1—C3—C4 | 81.3 (2) | C7—C6—C10—C11 | −174.4 (2) |
C10—Fe1—C3—C4 | −53.2 (4) | Pd1—C6—C10—C11 | 4.5 (3) |
C6—Fe1—C3—C4 | 176.0 (3) | Fe1—C6—C10—C11 | 128.5 (3) |
C8—Fe1—C3—C2 | 121.6 (2) | C7—C6—C10—Fe1 | 57.06 (18) |
C9—Fe1—C3—C2 | 162.5 (2) | Pd1—C6—C10—Fe1 | −123.99 (15) |
C4—Fe1—C3—C2 | −119.7 (3) | C8—Fe1—C10—C9 | 38.59 (17) |
C7—Fe1—C3—C2 | 81.0 (3) | C4—Fe1—C10—C9 | −72.2 (2) |
C5—Fe1—C3—C2 | −81.9 (3) | C2—Fe1—C10—C9 | 160.9 (4) |
C1—Fe1—C3—C2 | −38.4 (2) | C7—Fe1—C10—C9 | 82.99 (18) |
C10—Fe1—C3—C2 | −173.0 (3) | C5—Fe1—C10—C9 | −115.7 (2) |
C6—Fe1—C3—C2 | 56.3 (4) | C3—Fe1—C10—C9 | −33.6 (4) |
C2—C3—C4—C5 | −1.0 (4) | C1—Fe1—C10—C9 | −158.3 (2) |
Fe1—C3—C4—C5 | −60.1 (2) | C6—Fe1—C10—C9 | 120.3 (2) |
C2—C3—C4—Fe1 | 59.1 (2) | C8—Fe1—C10—C6 | −81.73 (17) |
C8—Fe1—C4—C3 | 76.5 (3) | C9—Fe1—C10—C6 | −120.3 (2) |
C9—Fe1—C4—C3 | 118.5 (2) | C4—Fe1—C10—C6 | 167.48 (18) |
C2—Fe1—C4—C3 | −37.4 (2) | C2—Fe1—C10—C6 | 40.6 (5) |
C7—Fe1—C4—C3 | 46.9 (4) | C7—Fe1—C10—C6 | −37.33 (16) |
C5—Fe1—C4—C3 | −118.8 (3) | C5—Fe1—C10—C6 | 124.00 (19) |
C1—Fe1—C4—C3 | −81.4 (2) | C3—Fe1—C10—C6 | −154.0 (3) |
C10—Fe1—C4—C3 | 158.5 (2) | C1—Fe1—C10—C6 | 81.4 (2) |
C6—Fe1—C4—C3 | −175.3 (3) | C8—Fe1—C10—C11 | 163.1 (3) |
C8—Fe1—C4—C5 | −164.7 (2) | C9—Fe1—C10—C11 | 124.5 (3) |
C9—Fe1—C4—C5 | −122.7 (2) | C4—Fe1—C10—C11 | 52.3 (3) |
C2—Fe1—C4—C5 | 81.5 (3) | C2—Fe1—C10—C11 | −74.5 (5) |
C7—Fe1—C4—C5 | 165.8 (3) | C7—Fe1—C10—C11 | −152.5 (3) |
C3—Fe1—C4—C5 | 118.8 (3) | C5—Fe1—C10—C11 | 8.9 (3) |
C1—Fe1—C4—C5 | 37.5 (2) | C3—Fe1—C10—C11 | 90.9 (4) |
C10—Fe1—C4—C5 | −82.7 (3) | C1—Fe1—C10—C11 | −33.7 (3) |
C6—Fe1—C4—C5 | −56.4 (5) | C6—Fe1—C10—C11 | −115.1 (3) |
C2—C1—C5—C4 | 0.5 (4) | C9—C10—C11—N1 | 171.7 (3) |
Fe1—C1—C5—C4 | 59.5 (2) | C6—C10—C11—N1 | −16.9 (3) |
C2—C1—C5—Fe1 | −59.0 (2) | Fe1—C10—C11—N1 | 75.6 (3) |
C3—C4—C5—C1 | 0.3 (4) | C12—N1—C11—C10 | −95.1 (3) |
Fe1—C4—C5—C1 | −59.9 (2) | C13—N1—C11—C10 | 147.0 (2) |
C3—C4—C5—Fe1 | 60.2 (2) | Pd1—N1—C11—C10 | 19.5 (3) |
C8—Fe1—C5—C1 | 153.9 (3) | C12—N1—C13—C14 | −178.8 (3) |
C9—Fe1—C5—C1 | −166.7 (2) | C11—N1—C13—C14 | −58.8 (3) |
C4—Fe1—C5—C1 | 119.1 (3) | Pd1—N1—C13—C14 | 65.5 (3) |
C2—Fe1—C5—C1 | 37.6 (2) | N1—C13—C14—C19 | −68.0 (4) |
C7—Fe1—C5—C1 | −40.9 (6) | N1—C13—C14—C15 | 116.7 (3) |
C3—Fe1—C5—C1 | 81.4 (2) | C19—C14—C15—C16 | 2.2 (5) |
C10—Fe1—C5—C1 | −122.6 (2) | C13—C14—C15—C16 | 177.6 (3) |
C6—Fe1—C5—C1 | −80.3 (3) | C14—C15—C16—C17 | 0.0 (5) |
C8—Fe1—C5—C4 | 34.8 (5) | C15—C16—C17—O1 | 179.2 (3) |
C9—Fe1—C5—C4 | 74.3 (3) | C15—C16—C17—C18 | −1.0 (5) |
C2—Fe1—C5—C4 | −81.4 (2) | C20—O1—C17—C16 | −176.1 (3) |
C7—Fe1—C5—C4 | −159.9 (4) | C20—O1—C17—C18 | 4.2 (5) |
C3—Fe1—C5—C4 | −37.6 (2) | C16—C17—C18—C19 | −0.2 (5) |
C1—Fe1—C5—C4 | −119.1 (3) | O1—C17—C18—C19 | 179.5 (3) |
C10—Fe1—C5—C4 | 118.4 (2) | C15—C14—C19—C18 | −3.5 (5) |
C6—Fe1—C5—C4 | 160.7 (2) | C13—C14—C19—C18 | −178.9 (3) |
N1—Pd1—C6—C7 | −175.8 (3) | C17—C18—C19—C14 | 2.6 (5) |
P1—Pd1—C6—C7 | 11.2 (3) | C27—P1—C21—C22 | 12.1 (3) |
N1—Pd1—C6—C10 | 5.75 (19) | C33—P1—C21—C22 | −95.4 (3) |
P1—Pd1—C6—C10 | −167.20 (18) | Pd1—P1—C21—C22 | 138.1 (2) |
N1—Pd1—C6—Fe1 | −74.50 (17) | C27—P1—C21—C26 | −166.6 (2) |
P1—Pd1—C6—Fe1 | 112.55 (16) | C33—P1—C21—C26 | 85.9 (2) |
C8—Fe1—C6—C7 | −37.88 (17) | Pd1—P1—C21—C26 | −40.6 (2) |
C9—Fe1—C6—C7 | −82.18 (18) | C26—C21—C22—C23 | 0.6 (5) |
C4—Fe1—C6—C7 | −154.2 (4) | P1—C21—C22—C23 | −178.0 (3) |
C2—Fe1—C6—C7 | 75.1 (2) | C21—C22—C23—C24 | −0.3 (5) |
C5—Fe1—C6—C7 | 162.8 (2) | C22—C23—C24—C25 | −0.4 (6) |
C3—Fe1—C6—C7 | 34.0 (4) | C23—C24—C25—C26 | 0.8 (6) |
C1—Fe1—C6—C7 | 119.5 (2) | C24—C25—C26—C21 | −0.4 (5) |
C10—Fe1—C6—C7 | −119.4 (2) | C22—C21—C26—C25 | −0.3 (5) |
C8—Fe1—C6—C10 | 81.56 (18) | P1—C21—C26—C25 | 178.5 (3) |
C9—Fe1—C6—C10 | 37.26 (16) | C21—P1—C27—C28 | 125.4 (2) |
C4—Fe1—C6—C10 | −34.8 (5) | C33—P1—C27—C28 | −125.1 (2) |
C2—Fe1—C6—C10 | −165.5 (2) | Pd1—P1—C27—C28 | −0.3 (3) |
C7—Fe1—C6—C10 | 119.4 (2) | C21—P1—C27—C32 | −60.7 (3) |
C5—Fe1—C6—C10 | −77.7 (2) | C33—P1—C27—C32 | 48.8 (3) |
C3—Fe1—C6—C10 | 153.4 (3) | Pd1—P1—C27—C32 | 173.7 (2) |
C1—Fe1—C6—C10 | −121.0 (2) | C32—C27—C28—C29 | 0.9 (5) |
C8—Fe1—C6—Pd1 | −175.0 (2) | P1—C27—C28—C29 | 175.0 (3) |
C9—Fe1—C6—Pd1 | 140.7 (2) | C27—C28—C29—C30 | 0.9 (6) |
C4—Fe1—C6—Pd1 | 68.7 (5) | C28—C29—C30—C31 | −1.4 (6) |
C2—Fe1—C6—Pd1 | −62.0 (2) | C29—C30—C31—C32 | 0.1 (7) |
C7—Fe1—C6—Pd1 | −137.1 (3) | C30—C31—C32—C27 | 1.7 (6) |
C5—Fe1—C6—Pd1 | 25.8 (3) | C28—C27—C32—C31 | −2.2 (5) |
C3—Fe1—C6—Pd1 | −103.1 (4) | P1—C27—C32—C31 | −176.2 (3) |
C1—Fe1—C6—Pd1 | −17.5 (2) | C21—P1—C33—C38 | −25.2 (3) |
C10—Fe1—C6—Pd1 | 103.5 (2) | C27—P1—C33—C38 | −138.1 (3) |
C10—C6—C7—C8 | 1.6 (3) | Pd1—P1—C33—C38 | 99.1 (3) |
Pd1—C6—C7—C8 | −176.9 (2) | C21—P1—C33—C34 | 157.9 (3) |
Fe1—C6—C7—C8 | 59.01 (19) | C27—P1—C33—C34 | 44.9 (3) |
C10—C6—C7—Fe1 | −57.39 (18) | Pd1—P1—C33—C34 | −77.8 (3) |
Pd1—C6—C7—Fe1 | 124.1 (3) | C38—C33—C34—C35 | 2.3 (5) |
C8—Fe1—C7—C6 | 119.5 (2) | P1—C33—C34—C35 | 179.3 (3) |
C9—Fe1—C7—C6 | 81.29 (18) | C33—C34—C35—C36 | −2.2 (6) |
C4—Fe1—C7—C6 | 160.8 (3) | C34—C35—C36—C37 | 1.0 (6) |
C2—Fe1—C7—C6 | −123.78 (19) | C35—C36—C37—C38 | 0.1 (7) |
C5—Fe1—C7—C6 | −51.4 (5) | C34—C33—C38—C37 | −1.2 (5) |
C3—Fe1—C7—C6 | −165.97 (18) | P1—C33—C38—C37 | −178.1 (3) |
C1—Fe1—C7—C6 | −82.7 (2) | C36—C37—C38—C33 | 0.0 (7) |