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The title tertiary aryl­amine, [Fe(C5H5)(C13H13ClN)], incorporating a ferrocen­yl group, was synthesized by reductive methyl­ation of the amine. The cyclo­penta­dienyl plane is nearly perpendicular to the Cmethylene-N-Cmethyl plane [dihedral angle = 96.8 (3)°]

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805021835/xu6027sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805021835/xu6027Isup2.hkl
Contains datablock I

CCDC reference: 282708

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.026
  • wR factor = 0.072
  • Data-to-parameter ratio = 13.8

checkCIF/PLATON results

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Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.501 0.773 Tmin(prime) and Tmax expected: 0.635 0.773 RR(prime) = 0.790 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.77 PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Fe1
0 ALERT level A = In general: serious problem 0 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

3-Chloro-N-ferrocenylmethyl-N-methylaniline top
Crystal data top
[Fe(C5H5)(C13H13ClN)]Z = 2
Mr = 339.63F(000) = 352
Triclinic, P1Dx = 1.496 Mg m3
Hall symbol: -P 1Melting point: 356 K
a = 8.243 (2) ÅMo Kα radiation, λ = 0.71073 Å
b = 10.250 (3) ÅCell parameters from 3182 reflections
c = 10.655 (3) Åθ = 2.2–27.7°
α = 116.643 (3)°µ = 1.17 mm1
β = 92.658 (3)°T = 293 K
γ = 106.771 (3)°Block, yellow
V = 754.0 (4) Å30.38 × 0.30 × 0.22 mm
Data collection top
Bruker APEX-II CCD area-detector
diffractometer
2629 independent reflections
Radiation source: fine-focus sealed tube2421 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.012
φ and ω scansθmax = 25.0°, θmin = 2.2°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 99
Tmin = 0.501, Tmax = 0.773k = 1012
4102 measured reflectionsl = 1210
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.026Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.072H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0419P)2 + 0.2296P]
where P = (Fo2 + 2Fc2)/3
2629 reflections(Δ/σ)max = 0.001
191 parametersΔρmax = 0.35 e Å3
0 restraintsΔρmin = 0.35 e Å3
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
xyzUiso*/Ueq
Fe10.12214 (3)0.31435 (3)0.23723 (3)0.03497 (11)
Cl10.30560 (8)1.38747 (6)0.78932 (6)0.06204 (17)
N10.2332 (2)0.82188 (17)0.45326 (16)0.0403 (4)
C10.2899 (3)0.3222 (2)0.3894 (2)0.0482 (5)
H10.35860.41550.47860.058*
C20.3413 (3)0.2655 (3)0.2557 (3)0.0560 (5)
H20.45210.31150.23580.067*
C30.2047 (3)0.1284 (3)0.1565 (2)0.0568 (6)
H30.20370.06340.05520.068*
C40.0702 (3)0.1022 (2)0.2281 (2)0.0493 (5)
H40.04100.01600.18530.059*
C50.1224 (3)0.2213 (2)0.3719 (2)0.0450 (4)
H50.05410.23260.44650.054*
C60.0268 (2)0.4515 (2)0.2975 (2)0.0430 (4)
H60.08090.47600.38140.052*
C70.1022 (3)0.3238 (2)0.1583 (3)0.0568 (6)
H70.21740.24440.12880.068*
C80.0180 (4)0.3311 (3)0.0694 (2)0.0619 (7)
H80.00080.25690.03250.074*
C90.1684 (3)0.4621 (2)0.1526 (2)0.0498 (5)
H90.27300.49490.11850.060*
C100.1417 (2)0.5376 (2)0.29490 (19)0.0376 (4)
C110.2685 (2)0.6794 (2)0.4203 (2)0.0421 (4)
H11A0.26630.66430.50390.051*
H11B0.38400.69150.40050.051*
C120.1766 (3)0.8424 (2)0.3348 (2)0.0490 (5)
H12A0.07760.87470.35030.074*
H12B0.14600.74580.24710.074*
H12C0.26850.92040.32840.074*
C130.3026 (2)0.9498 (2)0.58789 (19)0.0356 (4)
C140.3931 (3)0.9450 (2)0.6996 (2)0.0476 (5)
H140.41400.85450.68220.057*
C150.4515 (3)1.0727 (3)0.8351 (2)0.0553 (5)
H150.51011.06570.90730.066*
C160.4259 (3)1.2104 (3)0.8667 (2)0.0527 (5)
H160.46471.29550.95850.063*
C170.3409 (2)1.2162 (2)0.7569 (2)0.0424 (4)
C180.2800 (2)1.0913 (2)0.6193 (2)0.0386 (4)
H180.22431.10110.54770.046*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.04357 (17)0.02689 (16)0.03241 (16)0.01378 (11)0.00308 (11)0.01212 (12)
Cl10.0814 (4)0.0327 (3)0.0595 (3)0.0217 (3)0.0096 (3)0.0113 (2)
N10.0554 (9)0.0279 (8)0.0352 (8)0.0152 (7)0.0034 (7)0.0132 (6)
C10.0500 (11)0.0430 (11)0.0483 (11)0.0176 (9)0.0039 (9)0.0199 (9)
C20.0499 (12)0.0661 (14)0.0755 (15)0.0327 (11)0.0210 (11)0.0449 (13)
C30.0846 (16)0.0494 (13)0.0455 (12)0.0441 (12)0.0134 (11)0.0180 (10)
C40.0613 (12)0.0297 (10)0.0540 (12)0.0155 (9)0.0008 (10)0.0191 (9)
C50.0554 (11)0.0420 (11)0.0464 (11)0.0216 (9)0.0095 (9)0.0256 (9)
C60.0437 (10)0.0369 (10)0.0518 (11)0.0181 (8)0.0065 (8)0.0220 (9)
C70.0540 (12)0.0377 (11)0.0658 (14)0.0125 (9)0.0160 (10)0.0192 (10)
C80.1041 (19)0.0398 (12)0.0358 (11)0.0308 (12)0.0081 (11)0.0119 (9)
C90.0778 (14)0.0411 (11)0.0403 (11)0.0275 (10)0.0175 (10)0.0229 (9)
C100.0500 (10)0.0291 (9)0.0365 (9)0.0168 (8)0.0070 (8)0.0163 (8)
C110.0485 (10)0.0301 (10)0.0446 (10)0.0152 (8)0.0047 (8)0.0150 (8)
C120.0703 (13)0.0351 (10)0.0396 (10)0.0176 (9)0.0034 (9)0.0174 (9)
C130.0363 (9)0.0301 (9)0.0372 (9)0.0094 (7)0.0084 (7)0.0147 (8)
C140.0557 (12)0.0389 (11)0.0452 (11)0.0179 (9)0.0024 (9)0.0177 (9)
C150.0638 (13)0.0510 (13)0.0420 (11)0.0149 (10)0.0044 (9)0.0194 (10)
C160.0602 (13)0.0421 (11)0.0365 (10)0.0098 (9)0.0038 (9)0.0087 (9)
C170.0448 (10)0.0293 (9)0.0465 (11)0.0103 (8)0.0127 (8)0.0141 (8)
C180.0424 (10)0.0313 (9)0.0385 (10)0.0109 (8)0.0064 (7)0.0153 (8)
Geometric parameters (Å, º) top
Fe1—C22.032 (2)C6—C101.424 (3)
Fe1—C102.0383 (19)C6—H60.9800
Fe1—C62.0386 (19)C7—C81.411 (4)
Fe1—C12.0390 (19)C7—H70.9800
Fe1—C72.042 (2)C8—C91.413 (3)
Fe1—C32.042 (2)C8—H80.9800
Fe1—C92.043 (2)C9—C101.422 (3)
Fe1—C82.045 (2)C9—H90.9800
Fe1—C42.048 (2)C10—C111.498 (3)
Fe1—C52.048 (2)C11—H11A0.9700
Cl1—C171.746 (2)C11—H11B0.9700
N1—C111.462 (2)C12—H12A0.9600
N1—C121.448 (2)C12—H12B0.9600
N1—C131.381 (2)C12—H12C0.9600
C1—C51.410 (3)C13—C141.403 (3)
C1—C21.415 (3)C13—C181.406 (3)
C1—H10.9800C14—C151.380 (3)
C2—C31.416 (3)C14—H140.9300
C2—H20.9800C15—C161.379 (3)
C3—C41.405 (3)C15—H150.9300
C3—H30.9800C16—C171.368 (3)
C4—C51.407 (3)C16—H160.9300
C4—H40.9800C17—C181.385 (3)
C5—H50.9800C18—H180.9300
C6—C71.416 (3)
C2—Fe1—C10119.18 (9)C3—C4—H4125.9
C2—Fe1—C6154.15 (10)C5—C4—H4125.9
C10—Fe1—C640.89 (8)Fe1—C4—H4125.9
C2—Fe1—C140.69 (9)C4—C5—C1108.05 (19)
C10—Fe1—C1107.49 (8)C4—C5—Fe169.89 (11)
C6—Fe1—C1119.85 (8)C1—C5—Fe169.48 (11)
C2—Fe1—C7163.68 (10)C4—C5—H5126.0
C10—Fe1—C768.61 (8)C1—C5—H5126.0
C6—Fe1—C740.60 (8)Fe1—C5—H5126.0
C1—Fe1—C7154.43 (10)C7—C6—C10108.14 (19)
C2—Fe1—C340.66 (10)C7—C6—Fe169.82 (12)
C10—Fe1—C3154.15 (10)C10—C6—Fe169.54 (10)
C6—Fe1—C3163.80 (9)C7—C6—H6125.9
C1—Fe1—C368.03 (9)C10—C6—H6125.9
C7—Fe1—C3126.58 (9)Fe1—C6—H6125.9
C2—Fe1—C9107.46 (9)C8—C7—C6107.9 (2)
C10—Fe1—C940.77 (8)C8—C7—Fe169.90 (13)
C6—Fe1—C968.41 (9)C6—C7—Fe169.58 (11)
C1—Fe1—C9126.27 (9)C8—C7—H7126.0
C7—Fe1—C968.25 (10)C6—C7—H7126.0
C3—Fe1—C9119.95 (9)Fe1—C7—H7126.0
C2—Fe1—C8126.30 (10)C7—C8—C9108.48 (19)
C10—Fe1—C868.34 (8)C7—C8—Fe169.69 (12)
C6—Fe1—C868.08 (9)C9—C8—Fe169.73 (12)
C1—Fe1—C8163.68 (11)C7—C8—H8125.8
C7—Fe1—C840.41 (10)C9—C8—H8125.8
C3—Fe1—C8108.40 (9)Fe1—C8—H8125.8
C9—Fe1—C840.43 (10)C8—C9—C10108.0 (2)
C2—Fe1—C468.12 (9)C8—C9—Fe169.84 (12)
C10—Fe1—C4163.86 (8)C10—C9—Fe169.43 (11)
C6—Fe1—C4126.72 (9)C8—C9—H9126.0
C1—Fe1—C467.83 (8)C10—C9—H9126.0
C7—Fe1—C4108.51 (9)Fe1—C9—H9126.0
C3—Fe1—C440.19 (9)C9—C10—C6107.46 (18)
C9—Fe1—C4154.39 (9)C9—C10—C11126.55 (19)
C8—Fe1—C4120.49 (9)C6—C10—C11125.98 (17)
C2—Fe1—C568.18 (9)C9—C10—Fe169.80 (11)
C10—Fe1—C5126.39 (8)C6—C10—Fe169.57 (10)
C6—Fe1—C5108.26 (8)C11—C10—Fe1124.89 (13)
C1—Fe1—C540.37 (8)N1—C11—C10113.31 (15)
C7—Fe1—C5120.33 (10)N1—C11—H11A108.9
C3—Fe1—C567.70 (9)C10—C11—H11A108.9
C9—Fe1—C5163.74 (9)N1—C11—H11B108.9
C8—Fe1—C5154.65 (10)C10—C11—H11B108.9
C4—Fe1—C540.20 (8)H11A—C11—H11B107.7
C11—N1—C12118.18 (15)N1—C12—H12A109.5
C11—N1—C13119.21 (15)N1—C12—H12B109.5
C12—N1—C13119.61 (15)H12A—C12—H12B109.5
C5—C1—C2108.06 (19)N1—C12—H12C109.5
C5—C1—Fe170.15 (11)H12A—C12—H12C109.5
C2—C1—Fe169.41 (12)H12B—C12—H12C109.5
C5—C1—H1126.0N1—C13—C14122.67 (16)
C2—C1—H1126.0N1—C13—C18120.31 (16)
Fe1—C1—H1126.0C14—C13—C18117.00 (17)
C1—C2—C3107.5 (2)C15—C14—C13120.93 (18)
C1—C2—Fe169.90 (11)C15—C14—H14119.5
C3—C2—Fe170.03 (12)C13—C14—H14119.5
C1—C2—H2126.3C16—C15—C14122.05 (19)
C3—C2—H2126.3C16—C15—H15119.0
Fe1—C2—H2126.3C14—C15—H15119.0
C4—C3—C2108.21 (19)C17—C16—C15117.02 (18)
C4—C3—Fe170.12 (11)C17—C16—H16121.5
C2—C3—Fe169.31 (12)C15—C16—H16121.5
C4—C3—H3125.9C16—C17—C18123.07 (18)
C2—C3—H3125.9C16—C17—Cl1119.38 (15)
Fe1—C3—H3125.9C18—C17—Cl1117.55 (16)
C3—C4—C5108.18 (19)C17—C18—C13119.90 (18)
C3—C4—Fe169.69 (12)C17—C18—H18120.1
C5—C4—Fe169.91 (11)C13—C18—H18120.1
C2—Fe1—C1—C5119.19 (18)C10—C6—C7—C80.4 (2)
C10—Fe1—C1—C5126.13 (12)Fe1—C6—C7—C859.62 (14)
C6—Fe1—C1—C583.27 (14)C10—C6—C7—Fe159.19 (13)
C7—Fe1—C1—C549.3 (2)C2—Fe1—C7—C840.4 (4)
C3—Fe1—C1—C580.96 (14)C10—Fe1—C7—C881.29 (13)
C9—Fe1—C1—C5167.23 (11)C6—Fe1—C7—C8119.06 (18)
C8—Fe1—C1—C5161.4 (3)C1—Fe1—C7—C8167.23 (17)
C4—Fe1—C1—C537.43 (12)C3—Fe1—C7—C874.61 (16)
C10—Fe1—C1—C2114.68 (14)C9—Fe1—C7—C837.30 (13)
C6—Fe1—C1—C2157.54 (13)C4—Fe1—C7—C8115.61 (13)
C7—Fe1—C1—C2168.47 (18)C5—Fe1—C7—C8158.11 (12)
C3—Fe1—C1—C238.23 (14)C2—Fe1—C7—C6159.5 (3)
C9—Fe1—C1—C273.58 (16)C10—Fe1—C7—C637.77 (12)
C8—Fe1—C1—C242.2 (3)C1—Fe1—C7—C648.2 (2)
C4—Fe1—C1—C281.76 (15)C3—Fe1—C7—C6166.33 (12)
C5—Fe1—C1—C2119.19 (18)C9—Fe1—C7—C681.76 (13)
C5—C1—C2—C30.5 (2)C8—Fe1—C7—C6119.06 (18)
Fe1—C1—C2—C360.23 (14)C4—Fe1—C7—C6125.33 (13)
C5—C1—C2—Fe159.74 (14)C5—Fe1—C7—C682.83 (14)
C10—Fe1—C2—C183.03 (14)C6—C7—C8—C90.3 (2)
C6—Fe1—C2—C149.5 (2)Fe1—C7—C8—C959.12 (15)
C7—Fe1—C2—C1162.1 (3)C6—C7—C8—Fe159.42 (14)
C3—Fe1—C2—C1118.25 (19)C2—Fe1—C8—C7166.94 (13)
C9—Fe1—C2—C1125.84 (13)C10—Fe1—C8—C782.01 (13)
C8—Fe1—C2—C1166.46 (13)C6—Fe1—C8—C737.82 (12)
C4—Fe1—C2—C180.99 (14)C1—Fe1—C8—C7160.2 (3)
C5—Fe1—C2—C137.52 (13)C3—Fe1—C8—C7125.32 (14)
C10—Fe1—C2—C3158.72 (13)C9—Fe1—C8—C7119.80 (18)
C6—Fe1—C2—C3167.72 (17)C4—Fe1—C8—C782.91 (15)
C1—Fe1—C2—C3118.25 (19)C5—Fe1—C8—C748.7 (2)
C7—Fe1—C2—C343.9 (4)C2—Fe1—C8—C973.26 (16)
C9—Fe1—C2—C3115.91 (14)C10—Fe1—C8—C937.79 (13)
C8—Fe1—C2—C375.29 (17)C6—Fe1—C8—C981.98 (14)
C4—Fe1—C2—C337.27 (14)C1—Fe1—C8—C940.4 (4)
C5—Fe1—C2—C380.73 (14)C7—Fe1—C8—C9119.80 (18)
C1—C2—C3—C40.6 (2)C3—Fe1—C8—C9114.88 (14)
Fe1—C2—C3—C459.53 (14)C4—Fe1—C8—C9157.29 (13)
C1—C2—C3—Fe160.15 (14)C5—Fe1—C8—C9168.52 (17)
C2—Fe1—C3—C4119.46 (19)C7—C8—C9—C100.0 (2)
C10—Fe1—C3—C4166.08 (16)Fe1—C8—C9—C1059.14 (14)
C6—Fe1—C3—C441.1 (3)C7—C8—C9—Fe159.09 (15)
C1—Fe1—C3—C481.20 (14)C2—Fe1—C9—C8125.99 (15)
C7—Fe1—C3—C474.58 (16)C10—Fe1—C9—C8119.3 (2)
C9—Fe1—C3—C4158.54 (13)C6—Fe1—C9—C881.12 (15)
C8—Fe1—C3—C4115.78 (14)C1—Fe1—C9—C8166.96 (14)
C5—Fe1—C3—C437.47 (12)C7—Fe1—C9—C837.27 (14)
C10—Fe1—C3—C246.6 (2)C3—Fe1—C9—C883.43 (17)
C6—Fe1—C3—C2160.6 (3)C4—Fe1—C9—C850.3 (3)
C1—Fe1—C3—C238.26 (13)C5—Fe1—C9—C8162.3 (3)
C7—Fe1—C3—C2165.96 (14)C2—Fe1—C9—C10114.70 (13)
C9—Fe1—C3—C281.99 (16)C6—Fe1—C9—C1038.19 (12)
C8—Fe1—C3—C2124.76 (15)C1—Fe1—C9—C1073.74 (15)
C4—Fe1—C3—C2119.46 (19)C7—Fe1—C9—C1082.03 (13)
C5—Fe1—C3—C282.00 (14)C3—Fe1—C9—C10157.26 (13)
C2—C3—C4—C50.5 (2)C8—Fe1—C9—C10119.3 (2)
Fe1—C3—C4—C559.53 (13)C4—Fe1—C9—C10169.63 (17)
C2—C3—C4—Fe159.03 (14)C5—Fe1—C9—C1043.0 (3)
C2—Fe1—C4—C337.68 (14)C8—C9—C10—C60.2 (2)
C10—Fe1—C4—C3157.8 (3)Fe1—C9—C10—C659.62 (12)
C6—Fe1—C4—C3166.76 (12)C8—C9—C10—C11178.48 (18)
C1—Fe1—C4—C381.74 (14)Fe1—C9—C10—C11119.08 (18)
C7—Fe1—C4—C3125.29 (14)C8—C9—C10—Fe159.40 (14)
C9—Fe1—C4—C347.2 (3)C7—C6—C10—C90.4 (2)
C8—Fe1—C4—C382.57 (16)Fe1—C6—C10—C959.77 (13)
C5—Fe1—C4—C3119.32 (18)C7—C6—C10—C11178.30 (17)
C2—Fe1—C4—C581.63 (14)Fe1—C6—C10—C11118.94 (18)
C10—Fe1—C4—C538.5 (3)C7—C6—C10—Fe159.36 (13)
C6—Fe1—C4—C573.92 (15)C2—Fe1—C10—C983.03 (15)
C1—Fe1—C4—C537.58 (12)C6—Fe1—C10—C9118.57 (17)
C7—Fe1—C4—C5115.40 (14)C1—Fe1—C10—C9125.76 (14)
C3—Fe1—C4—C5119.32 (18)C7—Fe1—C10—C981.07 (15)
C9—Fe1—C4—C5166.48 (19)C3—Fe1—C10—C950.2 (2)
C8—Fe1—C4—C5158.11 (14)C8—Fe1—C10—C937.48 (15)
C3—C4—C5—C10.2 (2)C4—Fe1—C10—C9163.8 (3)
Fe1—C4—C5—C159.20 (13)C5—Fe1—C10—C9166.29 (13)
C3—C4—C5—Fe159.39 (14)C2—Fe1—C10—C6158.39 (12)
C2—C1—C5—C40.2 (2)C1—Fe1—C10—C6115.67 (12)
Fe1—C1—C5—C459.46 (13)C7—Fe1—C10—C637.50 (13)
C2—C1—C5—Fe159.27 (14)C3—Fe1—C10—C6168.76 (17)
C2—Fe1—C5—C481.49 (14)C9—Fe1—C10—C6118.57 (17)
C10—Fe1—C5—C4167.58 (12)C8—Fe1—C10—C681.09 (14)
C6—Fe1—C5—C4125.80 (13)C4—Fe1—C10—C645.2 (3)
C1—Fe1—C5—C4119.30 (18)C5—Fe1—C10—C675.14 (14)
C7—Fe1—C5—C482.96 (14)C2—Fe1—C10—C1138.10 (19)
C3—Fe1—C5—C437.46 (13)C6—Fe1—C10—C11120.3 (2)
C9—Fe1—C5—C4158.9 (3)C1—Fe1—C10—C114.63 (18)
C8—Fe1—C5—C448.6 (3)C7—Fe1—C10—C11157.80 (19)
C2—Fe1—C5—C137.81 (13)C3—Fe1—C10—C1170.9 (3)
C10—Fe1—C5—C173.12 (14)C9—Fe1—C10—C11121.1 (2)
C6—Fe1—C5—C1114.90 (13)C8—Fe1—C10—C11158.6 (2)
C7—Fe1—C5—C1157.73 (12)C4—Fe1—C10—C1175.1 (3)
C3—Fe1—C5—C181.84 (14)C5—Fe1—C10—C1145.2 (2)
C9—Fe1—C5—C139.5 (3)C13—N1—C11—C10160.19 (16)
C8—Fe1—C5—C1167.91 (19)C12—N1—C11—C1039.5 (2)
C4—Fe1—C5—C1119.30 (18)C9—C10—C11—N1101.4 (2)
C2—Fe1—C6—C7166.92 (19)C6—C10—C11—N180.2 (2)
C10—Fe1—C6—C7119.41 (18)Fe1—C10—C11—N1169.03 (13)
C1—Fe1—C6—C7158.24 (14)C12—N1—C13—C14166.08 (19)
C3—Fe1—C6—C742.9 (3)C11—N1—C13—C146.0 (3)
C9—Fe1—C6—C781.33 (15)C12—N1—C13—C1815.8 (3)
C8—Fe1—C6—C737.65 (14)C11—N1—C13—C18175.84 (17)
C4—Fe1—C6—C774.83 (16)N1—C13—C14—C15176.10 (19)
C5—Fe1—C6—C7115.61 (14)C18—C13—C14—C152.1 (3)
C2—Fe1—C6—C1047.5 (2)C13—C14—C15—C160.7 (4)
C1—Fe1—C6—C1082.35 (13)C14—C15—C16—C170.7 (3)
C7—Fe1—C6—C10119.41 (18)C15—C16—C17—C180.6 (3)
C3—Fe1—C6—C10162.3 (3)C15—C16—C17—Cl1179.52 (17)
C9—Fe1—C6—C1038.08 (11)C16—C17—C18—C130.9 (3)
C8—Fe1—C6—C1081.77 (13)Cl1—C17—C18—C13179.01 (14)
C4—Fe1—C6—C10165.76 (11)N1—C13—C18—C17176.07 (17)
C5—Fe1—C6—C10124.98 (11)C14—C13—C18—C172.2 (3)
 

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