The structure of the title compound, bis(μ-ferrocene-1,1′-diyl)bis[chloro(N,N,N′N′-tetramethylethylenediamine)aluminium], [Al2Fe2Cl2(C5H4)4(C6H16N2)2], possesses a center of inversion and an anti conformation. Bound to each Al atom in the bridging position are one Cl atom and one molecule of N,N,N′N′-tetramethylethylenediamine (TMEDA). The angle between the least-squares planes of the two cyclopentadienyl (Cp) ligands is 3.6 (3)°. The five C atoms in the Cp rings are staggered on average at an angle of 10.3 (5)°.
Supporting information
CCDC reference: 270480
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.005 Å
- R factor = 0.047
- wR factor = 0.119
- Data-to-parameter ratio = 19.9
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for N2 - C16 .. 6.18 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cl1 - Al1 .. 6.54 su
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
2 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
2 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: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: PLATON (Spek, 2003).
bis(µ-ferrocene-1,1'-diyl)bis[chloro(N,
N,
N',
N'-
tetramethylethylenediamine)aluminium
top
Crystal data top
[Al2Fe2Cl2(C5H4)4(C6H16N2)2] | Z = 1 |
Mr = 725.30 | F(000) = 380 |
Triclinic, P1 | Dx = 1.419 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.8491 (2) Å | Cell parameters from 3725 reflections |
b = 10.2612 (3) Å | θ = 1.0–27.5° |
c = 11.2111 (5) Å | µ = 1.09 mm−1 |
α = 78.5212 (12)° | T = 173 K |
β = 89.0564 (12)° | Chip, orange |
γ = 73.722 (2)° | 0.20 × 0.20 × 0.12 mm |
V = 848.68 (5) Å3 | |
Data collection top
Nonius KappaCCD diffractometer | 2697 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.045 |
Horizonally mounted graphite crystal monochromator | θmax = 27.5°, θmin = 1.9° |
Detector resolution: 9 pixels mm-1 | h = −10→10 |
φ scans, and ω scans with κ offsets | k = −13→13 |
7256 measured reflections | l = −14→14 |
3869 independent reflections | |
Refinement top
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)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.120 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.047P)2 + 0.4054P] where P = (Fo2 + 2Fc2)/3 |
3869 reflections | (Δ/σ)max < 0.001 |
194 parameters | Δρmax = 0.76 e Å−3 |
0 restraints | Δρmin = −0.51 e Å−3 |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Al1 | 0.40276 (11) | 0.24069 (9) | 0.40796 (9) | 0.0282 (2) | |
Cl1 | 0.65390 (11) | 0.28892 (9) | 0.39198 (8) | 0.0454 (2) | |
Fe1 | 0.52368 (5) | −0.07241 (4) | 0.27724 (4) | 0.02830 (15) | |
N1 | 0.2308 (3) | 0.4262 (2) | 0.3286 (2) | 0.0300 (6) | |
N2 | 0.2389 (4) | 0.6475 (3) | 0.0117 (3) | 0.0525 (8) | |
C1 | 0.3674 (4) | 0.1202 (3) | 0.3017 (3) | 0.0324 (7) | |
C2 | 0.4100 (4) | 0.1199 (3) | 0.1757 (3) | 0.0377 (8) | |
H2 | 0.4715 | 0.1782 | 0.1282 | 0.045* | |
C3 | 0.3468 (5) | 0.0203 (4) | 0.1335 (3) | 0.0443 (9) | |
H3 | 0.3582 | 0.0008 | 0.0539 | 0.053* | |
C4 | 0.2633 (4) | −0.0453 (4) | 0.2312 (4) | 0.0442 (9) | |
H4 | 0.2092 | −0.1168 | 0.2288 | 0.053* | |
C5 | 0.2751 (4) | 0.0152 (3) | 0.3334 (3) | 0.0358 (8) | |
H5 | 0.2291 | −0.0096 | 0.4109 | 0.043* | |
C6 | 0.3271 (4) | 0.2125 (3) | 0.5761 (3) | 0.0307 (7) | |
C7 | 0.2323 (4) | 0.1174 (3) | 0.6363 (3) | 0.0311 (7) | |
H7 | 0.1892 | 0.0574 | 0.5981 | 0.037* | |
C8 | 0.2131 (4) | 0.1266 (3) | 0.7604 (3) | 0.0357 (8) | |
H8 | 0.1558 | 0.0743 | 0.8187 | 0.043* | |
C9 | 0.2936 (4) | 0.2268 (3) | 0.7824 (3) | 0.0367 (8) | |
H9 | 0.3013 | 0.2538 | 0.8579 | 0.044* | |
C10 | 0.3612 (4) | 0.2801 (3) | 0.6701 (3) | 0.0353 (7) | |
H10 | 0.4205 | 0.3503 | 0.6590 | 0.042* | |
C11 | 0.2851 (4) | 0.4742 (3) | 0.2032 (3) | 0.0388 (8) | |
H11A | 0.2934 | 0.4001 | 0.1568 | 0.047* | |
H11B | 0.4058 | 0.4852 | 0.2094 | 0.047* | |
C12 | 0.1665 (5) | 0.6074 (3) | 0.1304 (3) | 0.0388 (8) | |
H12A | 0.0474 | 0.5960 | 0.1178 | 0.047* | |
H12B | 0.1530 | 0.6822 | 0.1767 | 0.047* | |
C13 | 0.2238 (5) | 0.5317 (3) | 0.4034 (3) | 0.0424 (8) | |
H13A | 0.3385 | 0.5522 | 0.4025 | 0.051* | |
H13B | 0.1978 | 0.4959 | 0.4874 | 0.051* | |
H18C | 0.1303 | 0.6166 | 0.3697 | 0.051* | |
C14 | 0.0544 (4) | 0.3996 (3) | 0.3264 (3) | 0.0400 (8) | |
H14A | 0.0544 | 0.3380 | 0.2699 | 0.048* | |
H14B | −0.0376 | 0.4876 | 0.2994 | 0.048* | |
H14C | 0.0299 | 0.3558 | 0.4083 | 0.048* | |
C15 | 0.1225 (7) | 0.7809 (4) | −0.0509 (4) | 0.0752 (14) | |
H15A | 0.1670 | 0.8074 | −0.1317 | 0.090* | |
H15B | 0.1207 | 0.8517 | −0.0033 | 0.090* | |
H15C | 0.0020 | 0.7731 | −0.0597 | 0.090* | |
C16 | 0.2610 (6) | 0.5497 (5) | −0.0633 (4) | 0.0710 (13) | |
H16A | 0.2887 | 0.5904 | −0.1454 | 0.085* | |
H16B | 0.1511 | 0.5229 | −0.0673 | 0.085* | |
H16C | 0.3586 | 0.4676 | −0.0295 | 0.085* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Al1 | 0.0283 (5) | 0.0269 (5) | 0.0245 (5) | −0.0019 (4) | 0.0023 (4) | −0.0023 (4) |
Cl1 | 0.0390 (5) | 0.0544 (5) | 0.0414 (6) | −0.0150 (4) | 0.0042 (4) | −0.0038 (4) |
Fe1 | 0.0301 (2) | 0.0269 (2) | 0.0235 (3) | −0.00084 (18) | 0.00100 (18) | −0.00518 (18) |
N1 | 0.0336 (13) | 0.0278 (13) | 0.0245 (15) | −0.0031 (11) | 0.0060 (11) | −0.0039 (11) |
N2 | 0.072 (2) | 0.0369 (17) | 0.0335 (19) | 0.0007 (15) | 0.0007 (16) | 0.0049 (14) |
C1 | 0.0297 (15) | 0.0299 (16) | 0.0309 (19) | 0.0020 (13) | −0.0015 (13) | −0.0054 (14) |
C2 | 0.0387 (18) | 0.0336 (18) | 0.0303 (19) | 0.0057 (14) | 0.0002 (15) | −0.0054 (15) |
C3 | 0.044 (2) | 0.051 (2) | 0.030 (2) | 0.0064 (16) | −0.0085 (16) | −0.0163 (17) |
C4 | 0.0348 (18) | 0.047 (2) | 0.051 (2) | −0.0046 (16) | −0.0072 (16) | −0.0194 (18) |
C5 | 0.0283 (16) | 0.0398 (18) | 0.036 (2) | −0.0026 (14) | 0.0011 (14) | −0.0091 (15) |
C6 | 0.0294 (15) | 0.0283 (15) | 0.0271 (18) | 0.0003 (12) | 0.0022 (13) | −0.0013 (13) |
C7 | 0.0283 (15) | 0.0310 (16) | 0.0297 (18) | −0.0031 (13) | 0.0019 (13) | −0.0040 (13) |
C8 | 0.0333 (16) | 0.0345 (17) | 0.0303 (19) | −0.0004 (14) | 0.0066 (14) | 0.0009 (14) |
C9 | 0.0437 (18) | 0.0316 (17) | 0.0252 (18) | 0.0067 (14) | 0.0019 (14) | −0.0084 (14) |
C10 | 0.0396 (17) | 0.0261 (16) | 0.035 (2) | −0.0028 (13) | 0.0028 (15) | −0.0036 (14) |
C11 | 0.0415 (18) | 0.0352 (18) | 0.0277 (19) | 0.0028 (14) | 0.0084 (15) | 0.0013 (14) |
C12 | 0.0470 (19) | 0.0294 (17) | 0.032 (2) | −0.0019 (14) | 0.0084 (15) | −0.0011 (14) |
C13 | 0.058 (2) | 0.0317 (17) | 0.034 (2) | −0.0055 (16) | 0.0062 (17) | −0.0094 (15) |
C14 | 0.0302 (16) | 0.0350 (18) | 0.045 (2) | 0.0004 (14) | −0.0007 (15) | 0.0008 (15) |
C15 | 0.110 (4) | 0.048 (2) | 0.042 (3) | 0.003 (2) | −0.001 (3) | 0.014 (2) |
C16 | 0.086 (3) | 0.073 (3) | 0.040 (3) | −0.006 (3) | 0.013 (2) | −0.002 (2) |
Geometric parameters (Å, º) top
Al1—C1 | 1.954 (3) | C5—H5 | 0.9500 |
Al1—C6 | 1.958 (3) | C6—C10 | 1.437 (5) |
Al1—N1 | 2.040 (3) | C6—C7 | 1.446 (4) |
Al1—Cl1 | 2.1594 (12) | C7—C8 | 1.415 (5) |
Fe1—C1 | 2.081 (3) | C7—H7 | 0.9500 |
Fe1—C2 | 2.034 (3) | C8—C9 | 1.410 (5) |
Fe1—C3 | 2.038 (3) | C8—H8 | 0.9500 |
Fe1—C4 | 2.044 (3) | C9—C10 | 1.425 (4) |
Fe1—C5 | 2.053 (3) | C9—H9 | 0.9500 |
Fe1—C8i | 2.044 (3) | C10—H10 | 0.9500 |
Fe1—C7i | 2.052 (3) | C11—C12 | 1.507 (4) |
Fe1—C6i | 2.078 (3) | C11—H11A | 0.9900 |
Fe1—C9i | 2.032 (3) | C11—H11B | 0.9900 |
Fe1—C10i | 2.035 (3) | C12—H12A | 0.9900 |
N1—C13 | 1.484 (4) | C12—H12B | 0.9900 |
N1—C14 | 1.486 (4) | C13—H13A | 0.9800 |
N1—C11 | 1.492 (4) | C13—H13B | 0.9800 |
N2—C16 | 1.406 (5) | C13—H18C | 0.9800 |
N2—C15 | 1.463 (5) | C14—H14A | 0.9800 |
N2—C12 | 1.466 (4) | C14—H14B | 0.9800 |
C1—C5 | 1.445 (4) | C14—H14C | 0.9800 |
C1—C2 | 1.446 (5) | C15—H15A | 0.9800 |
C2—C3 | 1.414 (5) | C15—H15B | 0.9800 |
C2—H2 | 0.9500 | C15—H15C | 0.9800 |
C3—C4 | 1.418 (5) | C16—H16A | 0.9800 |
C3—H3 | 0.9500 | C16—H16B | 0.9800 |
C4—C5 | 1.424 (5) | C16—H16C | 0.9800 |
C4—H4 | 0.9500 | | |
| | | |
C1—Al1—C6 | 119.59 (14) | C3—C4—C5 | 107.8 (3) |
C1—Al1—N1 | 101.62 (12) | C3—C4—Fe1 | 69.4 (2) |
C6—Al1—N1 | 103.03 (11) | C5—C4—Fe1 | 70.00 (18) |
C1—Al1—Cl1 | 114.94 (10) | C3—C4—H4 | 126.1 |
C6—Al1—Cl1 | 112.74 (10) | C5—C4—H4 | 126.1 |
N1—Al1—Cl1 | 101.45 (8) | Fe1—C4—H4 | 126.0 |
C9i—Fe1—C2 | 125.08 (13) | C4—C5—C1 | 109.8 (3) |
C9i—Fe1—C10i | 41.02 (12) | C4—C5—Fe1 | 69.33 (18) |
C2—Fe1—C10i | 163.07 (14) | C1—C5—Fe1 | 70.59 (17) |
C9i—Fe1—C3 | 104.88 (14) | C4—C5—H5 | 125.1 |
C2—Fe1—C3 | 40.62 (14) | C1—C5—H5 | 125.1 |
C10i—Fe1—C3 | 125.43 (14) | Fe1—C5—H5 | 126.6 |
C9i—Fe1—C8i | 40.49 (13) | C10—C6—C7 | 104.0 (3) |
C2—Fe1—C8i | 107.51 (13) | C10—C6—Al1 | 126.9 (2) |
C10i—Fe1—C8i | 68.05 (13) | C7—C6—Al1 | 129.1 (2) |
C3—Fe1—C8i | 117.10 (14) | C10—C6—Fe1i | 67.94 (18) |
C9i—Fe1—C4 | 116.78 (14) | C7—C6—Fe1i | 68.51 (17) |
C2—Fe1—C4 | 68.24 (15) | Al1—C6—Fe1i | 125.28 (14) |
C10i—Fe1—C4 | 107.19 (14) | C8—C7—C6 | 110.1 (3) |
C3—Fe1—C4 | 40.66 (15) | C8—C7—Fe1i | 69.49 (18) |
C8i—Fe1—C4 | 150.88 (15) | C6—C7—Fe1i | 70.50 (17) |
C9i—Fe1—C7i | 68.14 (13) | C8—C7—H7 | 124.9 |
C2—Fe1—C7i | 120.43 (13) | C6—C7—H7 | 124.9 |
C10i—Fe1—C7i | 67.57 (13) | Fe1i—C7—H7 | 126.7 |
C3—Fe1—C7i | 152.59 (14) | C9—C8—C7 | 108.1 (3) |
C8i—Fe1—C7i | 40.43 (13) | C9—C8—Fe1i | 69.31 (18) |
C4—Fe1—C7i | 166.47 (14) | C7—C8—Fe1i | 70.08 (17) |
C9i—Fe1—C5 | 152.44 (14) | C9—C8—H8 | 125.9 |
C2—Fe1—C5 | 67.97 (13) | C7—C8—H8 | 125.9 |
C10i—Fe1—C5 | 119.95 (13) | Fe1i—C8—H8 | 126.3 |
C3—Fe1—C5 | 68.29 (14) | C8—C9—C10 | 107.2 (3) |
C8i—Fe1—C5 | 166.66 (13) | C8—C9—Fe1i | 70.21 (18) |
C4—Fe1—C5 | 40.67 (14) | C10—C9—Fe1i | 69.61 (17) |
C7i—Fe1—C5 | 129.92 (13) | C8—C9—H9 | 126.4 |
C9i—Fe1—C6i | 69.78 (13) | C10—C9—H9 | 126.4 |
C2—Fe1—C6i | 154.66 (13) | Fe1i—C9—H9 | 125.4 |
C10i—Fe1—C6i | 40.89 (13) | C9—C10—C6 | 110.5 (3) |
C3—Fe1—C6i | 163.81 (14) | C9—C10—Fe1i | 69.37 (17) |
C8i—Fe1—C6i | 69.36 (12) | C6—C10—Fe1i | 71.17 (17) |
C4—Fe1—C6i | 126.96 (14) | C9—C10—H10 | 124.8 |
C7i—Fe1—C6i | 40.98 (12) | C6—C10—H10 | 124.8 |
C5—Fe1—C6i | 108.99 (13) | Fe1i—C10—H10 | 126.3 |
C9i—Fe1—C1 | 163.91 (13) | N1—C11—C12 | 116.8 (3) |
C2—Fe1—C1 | 41.14 (13) | N1—C11—H11A | 108.1 |
C10i—Fe1—C1 | 154.29 (13) | C12—C11—H11A | 108.1 |
C3—Fe1—C1 | 69.43 (13) | N1—C11—H11B | 108.1 |
C8i—Fe1—C1 | 127.53 (13) | C12—C11—H11B | 108.1 |
C4—Fe1—C1 | 69.33 (13) | H11A—C11—H11B | 107.3 |
C7i—Fe1—C1 | 109.60 (12) | N2—C12—C11 | 111.6 (3) |
C5—Fe1—C1 | 40.90 (12) | N2—C12—H12A | 109.3 |
C6i—Fe1—C1 | 119.73 (13) | C11—C12—H12A | 109.3 |
C13—N1—C14 | 109.2 (3) | N2—C12—H12B | 109.3 |
C13—N1—C11 | 110.1 (2) | C11—C12—H12B | 109.3 |
C14—N1—C11 | 111.3 (3) | H12A—C12—H12B | 108.0 |
C13—N1—Al1 | 110.5 (2) | N1—C13—H13A | 109.5 |
C14—N1—Al1 | 105.23 (18) | N1—C13—H13B | 109.5 |
C11—N1—Al1 | 110.37 (18) | H13A—C13—H13B | 109.5 |
C16—N2—C15 | 109.8 (4) | N1—C13—H18C | 109.5 |
C16—N2—C12 | 114.4 (3) | H13A—C13—H18C | 109.5 |
C15—N2—C12 | 108.6 (3) | H13B—C13—H18C | 109.5 |
C5—C1—C2 | 104.4 (3) | N1—C14—H14A | 109.5 |
C5—C1—Al1 | 125.1 (2) | N1—C14—H14B | 109.5 |
C2—C1—Al1 | 130.3 (2) | H14A—C14—H14B | 109.5 |
C5—C1—Fe1 | 68.52 (17) | N1—C14—H14C | 109.5 |
C2—C1—Fe1 | 67.71 (17) | H14A—C14—H14C | 109.5 |
Al1—C1—Fe1 | 131.08 (16) | H14B—C14—H14C | 109.5 |
C3—C2—C1 | 110.2 (3) | N2—C15—H15A | 109.5 |
C3—C2—Fe1 | 69.83 (19) | N2—C15—H15B | 109.5 |
C1—C2—Fe1 | 71.16 (18) | H15A—C15—H15B | 109.5 |
C3—C2—H2 | 124.9 | N2—C15—H15C | 109.5 |
C1—C2—H2 | 124.9 | H15A—C15—H15C | 109.5 |
Fe1—C2—H2 | 125.7 | H15B—C15—H15C | 109.5 |
C2—C3—C4 | 107.8 (3) | N2—C16—H16A | 109.5 |
C2—C3—Fe1 | 69.55 (19) | N2—C16—H16B | 109.5 |
C4—C3—Fe1 | 69.9 (2) | H16A—C16—H16B | 109.5 |
C2—C3—H3 | 126.1 | N2—C16—H16C | 109.5 |
C4—C3—H3 | 126.1 | H16A—C16—H16C | 109.5 |
Fe1—C3—H3 | 126.0 | H16B—C16—H16C | 109.5 |
| | | |
C1—Al1—N1—C13 | 174.5 (2) | C5—Fe1—C3—C4 | −37.9 (2) |
C6—Al1—N1—C13 | 50.1 (2) | C6i—Fe1—C3—C4 | 45.5 (5) |
Cl1—Al1—N1—C13 | −66.8 (2) | C1—Fe1—C3—C4 | −81.8 (2) |
C1—Al1—N1—C14 | 56.7 (2) | C2—C3—C4—C5 | 0.3 (4) |
C6—Al1—N1—C14 | −67.7 (2) | Fe1—C3—C4—C5 | 59.7 (2) |
Cl1—Al1—N1—C14 | 175.48 (19) | C2—C3—C4—Fe1 | −59.5 (2) |
C1—Al1—N1—C11 | −63.5 (2) | C9i—Fe1—C4—C3 | −81.6 (2) |
C6—Al1—N1—C11 | 172.1 (2) | C2—Fe1—C4—C3 | 37.9 (2) |
Cl1—Al1—N1—C11 | 55.3 (2) | C10i—Fe1—C4—C3 | −124.8 (2) |
C6—Al1—C1—C5 | 5.2 (3) | C8i—Fe1—C4—C3 | −49.2 (4) |
N1—Al1—C1—C5 | −107.2 (3) | C7i—Fe1—C4—C3 | 170.1 (5) |
Cl1—Al1—C1—C5 | 144.2 (2) | C5—Fe1—C4—C3 | 118.9 (3) |
C6—Al1—C1—C2 | 179.6 (3) | C6i—Fe1—C4—C3 | −165.58 (19) |
N1—Al1—C1—C2 | 67.2 (3) | C1—Fe1—C4—C3 | 82.1 (2) |
Cl1—Al1—C1—C2 | −41.4 (3) | C9i—Fe1—C4—C5 | 159.46 (19) |
C6—Al1—C1—Fe1 | −85.9 (2) | C2—Fe1—C4—C5 | −81.1 (2) |
N1—Al1—C1—Fe1 | 161.71 (19) | C10i—Fe1—C4—C5 | 116.2 (2) |
Cl1—Al1—C1—Fe1 | 53.1 (2) | C3—Fe1—C4—C5 | −118.9 (3) |
C9i—Fe1—C1—C5 | 152.1 (4) | C8i—Fe1—C4—C5 | −168.2 (2) |
C2—Fe1—C1—C5 | 116.8 (3) | C7i—Fe1—C4—C5 | 51.1 (6) |
C10i—Fe1—C1—C5 | −50.2 (4) | C6i—Fe1—C4—C5 | 75.5 (2) |
C3—Fe1—C1—C5 | 80.2 (2) | C1—Fe1—C4—C5 | −36.8 (2) |
C8i—Fe1—C1—C5 | −170.81 (19) | C3—C4—C5—C1 | −0.2 (4) |
C4—Fe1—C1—C5 | 36.6 (2) | Fe1—C4—C5—C1 | 59.1 (2) |
C7i—Fe1—C1—C5 | −129.00 (19) | C3—C4—C5—Fe1 | −59.4 (2) |
C6i—Fe1—C1—C5 | −85.0 (2) | C2—C1—C5—C4 | 0.1 (3) |
C9i—Fe1—C1—C2 | 35.2 (6) | Al1—C1—C5—C4 | 175.7 (2) |
C10i—Fe1—C1—C2 | −167.0 (3) | Fe1—C1—C5—C4 | −58.4 (2) |
C3—Fe1—C1—C2 | −36.6 (2) | C2—C1—C5—Fe1 | 58.5 (2) |
C8i—Fe1—C1—C2 | 72.4 (2) | Al1—C1—C5—Fe1 | −125.9 (2) |
C4—Fe1—C1—C2 | −80.2 (2) | C9i—Fe1—C5—C4 | −42.6 (4) |
C7i—Fe1—C1—C2 | 114.2 (2) | C2—Fe1—C5—C4 | 81.8 (2) |
C5—Fe1—C1—C2 | −116.8 (3) | C10i—Fe1—C5—C4 | −81.5 (2) |
C6i—Fe1—C1—C2 | 158.18 (19) | C3—Fe1—C5—C4 | 37.9 (2) |
C9i—Fe1—C1—Al1 | −89.4 (5) | C8i—Fe1—C5—C4 | 154.4 (5) |
C2—Fe1—C1—Al1 | −124.7 (3) | C7i—Fe1—C5—C4 | −166.3 (2) |
C10i—Fe1—C1—Al1 | 68.3 (4) | C6i—Fe1—C5—C4 | −125.1 (2) |
C3—Fe1—C1—Al1 | −161.3 (3) | C1—Fe1—C5—C4 | 121.1 (3) |
C8i—Fe1—C1—Al1 | −52.3 (3) | C9i—Fe1—C5—C1 | −163.7 (3) |
C4—Fe1—C1—Al1 | 155.1 (3) | C2—Fe1—C5—C1 | −39.30 (19) |
C7i—Fe1—C1—Al1 | −10.5 (2) | C10i—Fe1—C5—C1 | 157.38 (19) |
C5—Fe1—C1—Al1 | 118.5 (3) | C3—Fe1—C5—C1 | −83.2 (2) |
C6i—Fe1—C1—Al1 | 33.5 (3) | C8i—Fe1—C5—C1 | 33.3 (6) |
C5—C1—C2—C3 | 0.0 (3) | C4—Fe1—C5—C1 | −121.1 (3) |
Al1—C1—C2—C3 | −175.2 (2) | C7i—Fe1—C5—C1 | 72.7 (2) |
Fe1—C1—C2—C3 | 59.1 (2) | C6i—Fe1—C5—C1 | 113.81 (19) |
C5—C1—C2—Fe1 | −59.0 (2) | C1—Al1—C6—C10 | 172.2 (2) |
Al1—C1—C2—Fe1 | 125.7 (3) | N1—Al1—C6—C10 | −76.1 (3) |
C9i—Fe1—C2—C3 | 70.3 (2) | Cl1—Al1—C6—C10 | 32.4 (3) |
C10i—Fe1—C2—C3 | 39.5 (5) | C1—Al1—C6—C7 | −5.0 (3) |
C8i—Fe1—C2—C3 | 111.5 (2) | N1—Al1—C6—C7 | 106.6 (3) |
C4—Fe1—C2—C3 | −37.9 (2) | Cl1—Al1—C6—C7 | −144.8 (2) |
C7i—Fe1—C2—C3 | 153.7 (2) | C1—Al1—C6—Fe1i | 84.7 (2) |
C5—Fe1—C2—C3 | −81.9 (2) | N1—Al1—C6—Fe1i | −163.59 (17) |
C6i—Fe1—C2—C3 | −169.9 (3) | Cl1—Al1—C6—Fe1i | −55.1 (2) |
C1—Fe1—C2—C3 | −121.0 (3) | C10—C6—C7—C8 | −0.8 (3) |
C9i—Fe1—C2—C1 | −168.73 (19) | Al1—C6—C7—C8 | 177.0 (2) |
C10i—Fe1—C2—C1 | 160.4 (4) | Fe1i—C6—C7—C8 | 58.3 (2) |
C3—Fe1—C2—C1 | 121.0 (3) | C10—C6—C7—Fe1i | −59.0 (2) |
C8i—Fe1—C2—C1 | −127.6 (2) | Al1—C6—C7—Fe1i | 118.7 (2) |
C4—Fe1—C2—C1 | 83.1 (2) | C6—C7—C8—C9 | 0.2 (3) |
C7i—Fe1—C2—C1 | −85.3 (2) | Fe1i—C7—C8—C9 | 59.1 (2) |
C5—Fe1—C2—C1 | 39.08 (19) | C6—C7—C8—Fe1i | −58.9 (2) |
C6i—Fe1—C2—C1 | −49.0 (4) | C7—C8—C9—C10 | 0.5 (3) |
C1—C2—C3—C4 | −0.2 (4) | Fe1i—C8—C9—C10 | 60.0 (2) |
Fe1—C2—C3—C4 | 59.7 (2) | C7—C8—C9—Fe1i | −59.5 (2) |
C1—C2—C3—Fe1 | −59.9 (2) | C8—C9—C10—C6 | −1.0 (4) |
C9i—Fe1—C3—C2 | −127.1 (2) | Fe1i—C9—C10—C6 | 59.4 (2) |
C10i—Fe1—C3—C2 | −166.87 (19) | C8—C9—C10—Fe1i | −60.4 (2) |
C8i—Fe1—C3—C2 | −85.6 (2) | C7—C6—C10—C9 | 1.1 (3) |
C4—Fe1—C3—C2 | 118.9 (3) | Al1—C6—C10—C9 | −176.7 (2) |
C7i—Fe1—C3—C2 | −56.1 (4) | Fe1i—C6—C10—C9 | −58.4 (2) |
C5—Fe1—C3—C2 | 81.0 (2) | C7—C6—C10—Fe1i | 59.43 (19) |
C6i—Fe1—C3—C2 | 164.4 (4) | Al1—C6—C10—Fe1i | −118.4 (2) |
C1—Fe1—C3—C2 | 37.05 (19) | C13—N1—C11—C12 | −60.2 (4) |
C9i—Fe1—C3—C4 | 114.0 (2) | C14—N1—C11—C12 | 61.1 (4) |
C2—Fe1—C3—C4 | −118.9 (3) | Al1—N1—C11—C12 | 177.5 (3) |
C10i—Fe1—C3—C4 | 74.2 (2) | C16—N2—C12—C11 | 60.0 (5) |
C8i—Fe1—C3—C4 | 155.5 (2) | C15—N2—C12—C11 | −176.9 (3) |
C7i—Fe1—C3—C4 | −175.0 (3) | N1—C11—C12—N2 | 176.8 (3) |
Symmetry code: (i) −x+1, −y, −z+1. |