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The title compound, [Fe(C5H5)(C11H7FNO2)], crystallizes with the 4-fluoro-3-nitro­phenyl unit nearly coplanar with the cyclo­penta­dienyl ring to which it is attached.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806054912/hg2159sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806054912/hg2159Isup2.hkl
Contains datablock I

CCDC reference: 636677

Key indicators

  • Single-crystal X-ray study
  • T = 446 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.037
  • wR factor = 0.100
  • Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for F1 - C14 .. 8.78 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C2 - C3 .. 7.09 su
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.96 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.61 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Fe1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14
Alert level G PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 1999); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

(4-Fluoro-3-nitrophenyl)ferrocene top
Crystal data top
[Fe(C5H5)(C11H7FNO2)]F(000) = 664
Mr = 325.12Dx = 1.596 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 3757 reflections
a = 10.196 (2) Åθ = 2.7–26.9°
b = 12.905 (3) ŵ = 1.13 mm1
c = 10.639 (2) ÅT = 446 K
β = 104.882 (3)°Block, red
V = 1352.9 (5) Å30.45 × 0.40 × 0.39 mm
Z = 4
Data collection top
Bruker SMART CCD area-detector
diffractometer
2510 independent reflections
Radiation source: fine-focus sealed tube2119 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
φ and ω scansθmax = 25.5°, θmin = 2.5°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1210
Tmin = 0.631, Tmax = 0.667k = 815
6918 measured reflectionsl = 1112
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)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.100H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0554P)2 + 0.3244P]
where P = (Fo2 + 2Fc2)/3
2510 reflections(Δ/σ)max = 0.001
190 parametersΔρmax = 0.37 e Å3
12 restraintsΔρmin = 0.26 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
Fe10.89710 (3)0.21761 (3)0.74806 (3)0.03879 (15)
F10.7215 (2)0.08355 (17)0.07730 (18)0.0897 (6)
O10.5659 (3)0.05216 (19)0.1368 (2)0.0816 (7)
O20.5771 (2)0.09016 (19)0.3354 (2)0.0831 (8)
N10.6170 (2)0.04155 (19)0.2551 (2)0.0584 (7)
C10.8678 (4)0.3597 (3)0.8191 (4)0.0765 (10)
H1A0.93810.40940.86130.092*
C20.8025 (5)0.3527 (3)0.6831 (4)0.0945 (15)
H2A0.82030.39680.61430.113*
C30.7075 (4)0.2723 (3)0.6664 (3)0.0781 (11)
H3A0.64750.24970.58350.094*
C40.7124 (3)0.2308 (3)0.7866 (3)0.0658 (9)
H4A0.65670.17320.80370.079*
C50.8092 (3)0.2843 (2)0.8796 (3)0.0628 (8)
H5A0.83340.27010.97320.075*
C60.9276 (3)0.0644 (2)0.7228 (3)0.0494 (7)
H6A0.85960.00960.71580.059*
C71.0170 (3)0.1002 (2)0.8398 (3)0.0571 (7)
H7A1.02170.07430.92750.069*
C81.0981 (3)0.1793 (2)0.8079 (3)0.0570 (7)
H8A1.16850.21850.86960.068*
C91.0597 (3)0.1927 (2)0.6727 (3)0.0473 (6)
H9A1.09860.24360.62410.057*
C100.9533 (2)0.12136 (18)0.6174 (2)0.0390 (5)
C110.8878 (2)0.11023 (17)0.4778 (2)0.0363 (5)
C120.9333 (3)0.1682 (2)0.3863 (3)0.0489 (6)
H12A1.00370.21530.41540.059*
C130.8782 (3)0.1581 (2)0.2559 (3)0.0550 (7)
H13A0.91190.19800.19840.066*
C140.7729 (3)0.0894 (2)0.2073 (2)0.0466 (6)
C150.7265 (2)0.03154 (18)0.2978 (3)0.0423 (6)
C160.7836 (2)0.04134 (18)0.4309 (2)0.0406 (6)
H16A0.75110.00100.48870.049*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0401 (2)0.0435 (2)0.0339 (2)0.00104 (15)0.01172 (16)0.00085 (14)
F10.1067 (16)0.1008 (16)0.0547 (12)0.0036 (13)0.0083 (11)0.0017 (11)
O10.0891 (16)0.0831 (16)0.0553 (15)0.0221 (13)0.0132 (12)0.0133 (12)
O20.0872 (17)0.0784 (16)0.0715 (16)0.0447 (14)0.0020 (13)0.0063 (13)
N10.0598 (15)0.0478 (14)0.0561 (16)0.0090 (11)0.0059 (13)0.0058 (12)
C10.083 (2)0.0534 (19)0.103 (3)0.0004 (17)0.042 (2)0.0212 (18)
C20.144 (4)0.073 (2)0.092 (3)0.057 (3)0.076 (3)0.039 (2)
C30.066 (2)0.112 (3)0.052 (2)0.037 (2)0.0069 (17)0.0041 (19)
C40.0476 (17)0.089 (2)0.067 (2)0.0002 (15)0.0259 (16)0.0113 (17)
C50.0642 (19)0.083 (2)0.0456 (17)0.0086 (16)0.0219 (15)0.0092 (15)
C60.0538 (16)0.0408 (14)0.0492 (16)0.0028 (12)0.0054 (13)0.0023 (12)
C70.0634 (18)0.0553 (17)0.0432 (16)0.0124 (14)0.0035 (13)0.0054 (13)
C80.0386 (14)0.072 (2)0.0537 (18)0.0006 (13)0.0003 (13)0.0148 (15)
C90.0360 (13)0.0602 (17)0.0482 (16)0.0086 (12)0.0152 (12)0.0138 (12)
C100.0337 (12)0.0387 (13)0.0437 (14)0.0015 (10)0.0085 (11)0.0061 (10)
C110.0331 (11)0.0318 (11)0.0439 (14)0.0025 (9)0.0097 (10)0.0042 (10)
C120.0456 (14)0.0505 (16)0.0491 (16)0.0084 (12)0.0093 (12)0.0019 (12)
C130.0570 (17)0.0623 (18)0.0462 (17)0.0071 (14)0.0141 (14)0.0093 (13)
C140.0529 (15)0.0456 (15)0.0371 (14)0.0090 (12)0.0044 (12)0.0016 (11)
C150.0422 (13)0.0338 (13)0.0465 (15)0.0016 (10)0.0033 (11)0.0049 (11)
C160.0414 (13)0.0364 (13)0.0431 (14)0.0022 (10)0.0092 (11)0.0001 (10)
Geometric parameters (Å, º) top
Fe1—C22.026 (3)C4—H4A0.9800
Fe1—C62.030 (3)C5—H5A0.9800
Fe1—C32.032 (3)C6—C71.418 (4)
Fe1—C72.032 (3)C6—C101.420 (4)
Fe1—C12.035 (3)C6—H6A0.9800
Fe1—C42.035 (3)C7—C81.409 (4)
Fe1—C52.037 (3)C7—H7A0.9800
Fe1—C92.044 (2)C8—C91.401 (4)
Fe1—C82.044 (3)C8—H8A0.9800
Fe1—C102.052 (2)C9—C101.430 (3)
F1—C141.350 (3)C9—H9A0.9800
O1—N11.240 (3)C10—C111.470 (3)
O2—N11.211 (3)C11—C161.377 (3)
N1—C151.443 (3)C11—C121.398 (4)
C1—C51.384 (5)C12—C131.363 (4)
C1—C21.432 (6)C12—H12A0.9300
C1—H1A0.9800C13—C141.386 (4)
C2—C31.400 (6)C13—H13A0.9300
C2—H2A0.9800C14—C151.393 (4)
C3—C41.375 (5)C15—C161.392 (4)
C3—H3A0.9800C16—H16A0.9300
C4—C51.389 (5)
C2—Fe1—C6150.29 (17)C4—C3—H3A125.9
C2—Fe1—C340.35 (17)C2—C3—H3A125.9
C6—Fe1—C3116.29 (15)Fe1—C3—H3A125.9
C2—Fe1—C7168.62 (18)C3—C4—C5108.6 (3)
C6—Fe1—C740.87 (11)C3—C4—Fe170.11 (19)
C3—Fe1—C7148.56 (16)C5—C4—Fe170.12 (17)
C2—Fe1—C141.30 (17)C3—C4—H4A125.7
C6—Fe1—C1165.73 (14)C5—C4—H4A125.7
C3—Fe1—C168.37 (16)Fe1—C4—H4A125.7
C7—Fe1—C1128.39 (15)C1—C5—C4109.3 (3)
C2—Fe1—C467.20 (16)C1—C5—Fe170.06 (18)
C6—Fe1—C4106.83 (13)C4—C5—Fe169.99 (17)
C3—Fe1—C439.52 (14)C1—C5—H5A125.3
C7—Fe1—C4116.06 (14)C4—C5—H5A125.3
C1—Fe1—C467.53 (14)Fe1—C5—H5A125.3
C2—Fe1—C567.39 (14)C7—C6—C10108.5 (2)
C6—Fe1—C5127.76 (12)C7—C6—Fe169.64 (16)
C3—Fe1—C566.94 (14)C10—C6—Fe170.50 (14)
C7—Fe1—C5107.56 (13)C7—C6—H6A125.7
C1—Fe1—C539.74 (13)C10—C6—H6A125.7
C4—Fe1—C539.89 (13)Fe1—C6—H6A125.7
C2—Fe1—C9111.37 (14)C8—C7—C6108.0 (3)
C6—Fe1—C968.15 (11)C8—C7—Fe170.24 (16)
C3—Fe1—C9131.73 (13)C6—C7—Fe169.49 (15)
C7—Fe1—C967.85 (12)C8—C7—H7A126.0
C1—Fe1—C9119.91 (13)C6—C7—H7A126.0
C4—Fe1—C9168.00 (12)Fe1—C7—H7A126.0
C5—Fe1—C9151.70 (12)C9—C8—C7108.1 (2)
C2—Fe1—C8131.73 (18)C9—C8—Fe169.94 (15)
C6—Fe1—C868.30 (12)C7—C8—Fe169.32 (16)
C3—Fe1—C8170.03 (15)C9—C8—H8A125.9
C7—Fe1—C840.45 (12)C7—C8—H8A125.9
C1—Fe1—C8109.48 (14)Fe1—C8—H8A125.9
C4—Fe1—C8149.69 (14)C8—C9—C10109.0 (2)
C5—Fe1—C8118.12 (13)C8—C9—Fe169.98 (16)
C9—Fe1—C840.07 (12)C10—C9—Fe169.90 (13)
C2—Fe1—C10118.74 (13)C8—C9—H9A125.5
C6—Fe1—C1040.70 (10)C10—C9—H9A125.5
C3—Fe1—C10108.72 (12)Fe1—C9—H9A125.5
C7—Fe1—C1068.67 (11)C6—C10—C9106.4 (2)
C1—Fe1—C10152.91 (13)C6—C10—C11128.3 (2)
C4—Fe1—C10128.37 (12)C9—C10—C11125.3 (2)
C5—Fe1—C10165.91 (12)C6—C10—Fe168.80 (14)
C9—Fe1—C1040.87 (9)C9—C10—Fe169.23 (14)
C8—Fe1—C1068.45 (11)C11—C10—Fe1127.59 (16)
O2—N1—O1121.9 (2)C16—C11—C12117.1 (2)
O2—N1—C15119.3 (2)C16—C11—C10122.5 (2)
O1—N1—C15118.8 (3)C12—C11—C10120.3 (2)
C5—C1—C2106.3 (3)C13—C12—C11122.2 (2)
C5—C1—Fe170.21 (18)C13—C12—H12A118.9
C2—C1—Fe169.03 (19)C11—C12—H12A118.9
C5—C1—H1A126.8C12—C13—C14121.2 (3)
C2—C1—H1A126.8C12—C13—H13A119.4
Fe1—C1—H1A126.8C14—C13—H13A119.4
C3—C2—C1107.6 (3)F1—C14—C13118.5 (2)
C3—C2—Fe170.03 (19)F1—C14—C15124.5 (2)
C1—C2—Fe169.67 (19)C13—C14—C15117.0 (2)
C3—C2—H2A126.2C16—C15—C14121.8 (2)
C1—C2—H2A126.2C16—C15—N1117.9 (2)
Fe1—C2—H2A126.2C14—C15—N1120.4 (2)
C4—C3—C2108.2 (3)C11—C16—C15120.7 (2)
C4—C3—Fe170.37 (19)C11—C16—H16A119.7
C2—C3—Fe169.6 (2)C15—C16—H16A119.7
C2—Fe1—C1—C5117.3 (3)C10—C6—C7—Fe160.00 (18)
C6—Fe1—C1—C532.4 (6)C2—Fe1—C7—C851.1 (7)
C3—Fe1—C1—C579.5 (2)C6—Fe1—C7—C8119.0 (3)
C7—Fe1—C1—C569.4 (3)C3—Fe1—C7—C8172.6 (2)
C4—Fe1—C1—C536.7 (2)C1—Fe1—C7—C874.1 (2)
C9—Fe1—C1—C5153.8 (2)C4—Fe1—C7—C8155.19 (18)
C8—Fe1—C1—C5110.9 (2)C5—Fe1—C7—C8113.01 (19)
C10—Fe1—C1—C5168.5 (2)C9—Fe1—C7—C837.24 (17)
C6—Fe1—C1—C2149.7 (5)C10—Fe1—C7—C881.39 (18)
C3—Fe1—C1—C237.8 (2)C2—Fe1—C7—C6170.1 (6)
C7—Fe1—C1—C2173.3 (2)C3—Fe1—C7—C653.7 (3)
C4—Fe1—C1—C280.5 (3)C1—Fe1—C7—C6166.90 (18)
C5—Fe1—C1—C2117.3 (3)C4—Fe1—C7—C685.8 (2)
C9—Fe1—C1—C289.0 (3)C5—Fe1—C7—C6128.01 (19)
C8—Fe1—C1—C2131.8 (2)C9—Fe1—C7—C681.73 (18)
C10—Fe1—C1—C251.3 (4)C8—Fe1—C7—C6119.0 (3)
C5—C1—C2—C30.6 (4)C10—Fe1—C7—C637.58 (16)
Fe1—C1—C2—C360.1 (2)C6—C7—C8—C90.1 (3)
C5—C1—C2—Fe160.6 (2)Fe1—C7—C8—C959.4 (2)
C6—Fe1—C2—C347.0 (3)C6—C7—C8—Fe159.5 (2)
C7—Fe1—C2—C3146.1 (7)C2—Fe1—C8—C972.4 (2)
C1—Fe1—C2—C3118.5 (3)C6—Fe1—C8—C981.42 (17)
C4—Fe1—C2—C337.1 (2)C7—Fe1—C8—C9119.5 (2)
C5—Fe1—C2—C380.5 (2)C1—Fe1—C8—C9113.64 (19)
C9—Fe1—C2—C3130.0 (2)C4—Fe1—C8—C9167.8 (2)
C8—Fe1—C2—C3171.27 (19)C5—Fe1—C8—C9156.27 (17)
C10—Fe1—C2—C385.4 (2)C10—Fe1—C8—C937.48 (15)
C6—Fe1—C2—C1165.5 (2)C2—Fe1—C8—C7168.1 (2)
C3—Fe1—C2—C1118.5 (3)C6—Fe1—C8—C738.04 (17)
C7—Fe1—C2—C127.6 (8)C1—Fe1—C8—C7126.90 (19)
C4—Fe1—C2—C181.4 (2)C4—Fe1—C8—C748.3 (3)
C5—Fe1—C2—C138.0 (2)C5—Fe1—C8—C784.3 (2)
C9—Fe1—C2—C1111.5 (2)C9—Fe1—C8—C7119.5 (2)
C8—Fe1—C2—C170.2 (3)C10—Fe1—C8—C781.98 (18)
C10—Fe1—C2—C1156.10 (19)C7—C8—C9—C100.2 (3)
C1—C2—C3—C40.2 (4)Fe1—C8—C9—C1059.20 (18)
Fe1—C2—C3—C460.0 (2)C7—C8—C9—Fe159.0 (2)
C1—C2—C3—Fe159.8 (2)C2—Fe1—C9—C8130.2 (2)
C2—Fe1—C3—C4119.1 (3)C6—Fe1—C9—C881.82 (18)
C6—Fe1—C3—C484.8 (2)C3—Fe1—C9—C8171.8 (2)
C7—Fe1—C3—C448.7 (4)C7—Fe1—C9—C837.58 (17)
C1—Fe1—C3—C480.5 (2)C1—Fe1—C9—C885.1 (2)
C5—Fe1—C3—C437.4 (2)C4—Fe1—C9—C8149.1 (6)
C9—Fe1—C3—C4168.11 (19)C5—Fe1—C9—C848.5 (3)
C10—Fe1—C3—C4128.2 (2)C10—Fe1—C9—C8120.1 (2)
C6—Fe1—C3—C2156.2 (2)C2—Fe1—C9—C10109.7 (2)
C7—Fe1—C3—C2167.8 (2)C6—Fe1—C9—C1038.30 (15)
C1—Fe1—C3—C238.6 (2)C3—Fe1—C9—C1068.1 (3)
C4—Fe1—C3—C2119.1 (3)C7—Fe1—C9—C1082.54 (17)
C5—Fe1—C3—C281.7 (2)C1—Fe1—C9—C10154.81 (19)
C9—Fe1—C3—C272.8 (3)C4—Fe1—C9—C1028.9 (7)
C10—Fe1—C3—C2112.7 (2)C5—Fe1—C9—C10168.6 (2)
C2—C3—C4—C50.2 (4)C8—Fe1—C9—C10120.1 (2)
Fe1—C3—C4—C559.8 (2)C7—C6—C10—C90.2 (3)
C2—C3—C4—Fe159.6 (2)Fe1—C6—C10—C959.29 (17)
C2—Fe1—C4—C337.9 (2)C7—C6—C10—C11178.7 (2)
C6—Fe1—C4—C3111.1 (2)Fe1—C6—C10—C11121.8 (2)
C7—Fe1—C4—C3154.1 (2)C7—C6—C10—Fe159.47 (19)
C1—Fe1—C4—C382.8 (3)C8—C9—C10—C60.2 (3)
C5—Fe1—C4—C3119.4 (3)Fe1—C9—C10—C659.01 (17)
C9—Fe1—C4—C347.7 (7)C8—C9—C10—C11178.7 (2)
C8—Fe1—C4—C3173.2 (3)Fe1—C9—C10—C11122.1 (2)
C10—Fe1—C4—C371.6 (3)C8—C9—C10—Fe159.25 (19)
C2—Fe1—C4—C581.5 (3)C2—Fe1—C10—C6151.8 (2)
C6—Fe1—C4—C5129.5 (2)C3—Fe1—C10—C6108.9 (2)
C3—Fe1—C4—C5119.4 (3)C7—Fe1—C10—C637.73 (16)
C7—Fe1—C4—C586.5 (2)C1—Fe1—C10—C6172.2 (3)
C1—Fe1—C4—C536.6 (2)C4—Fe1—C10—C669.3 (2)
C9—Fe1—C4—C5167.1 (6)C5—Fe1—C10—C639.2 (5)
C8—Fe1—C4—C553.8 (4)C9—Fe1—C10—C6118.1 (2)
C10—Fe1—C4—C5169.05 (18)C8—Fe1—C10—C681.33 (17)
C2—C1—C5—C40.7 (4)C2—Fe1—C10—C990.1 (2)
Fe1—C1—C5—C459.1 (2)C6—Fe1—C10—C9118.1 (2)
C2—C1—C5—Fe159.9 (2)C3—Fe1—C10—C9133.0 (2)
C3—C4—C5—C10.6 (4)C7—Fe1—C10—C980.38 (18)
Fe1—C4—C5—C159.2 (2)C1—Fe1—C10—C954.1 (3)
C3—C4—C5—Fe159.8 (2)C4—Fe1—C10—C9172.63 (18)
C2—Fe1—C5—C139.5 (3)C5—Fe1—C10—C9157.3 (5)
C6—Fe1—C5—C1170.4 (2)C8—Fe1—C10—C936.78 (17)
C3—Fe1—C5—C183.4 (3)C2—Fe1—C10—C1129.2 (3)
C7—Fe1—C5—C1129.7 (2)C6—Fe1—C10—C11122.6 (3)
C4—Fe1—C5—C1120.5 (3)C3—Fe1—C10—C1113.8 (3)
C9—Fe1—C5—C153.9 (4)C7—Fe1—C10—C11160.4 (2)
C8—Fe1—C5—C187.1 (3)C1—Fe1—C10—C1165.1 (4)
C10—Fe1—C5—C1158.2 (4)C4—Fe1—C10—C1153.4 (3)
C2—Fe1—C5—C481.0 (3)C5—Fe1—C10—C1183.4 (5)
C6—Fe1—C5—C469.2 (2)C9—Fe1—C10—C11119.2 (3)
C3—Fe1—C5—C437.1 (2)C8—Fe1—C10—C11156.0 (2)
C7—Fe1—C5—C4109.9 (2)C6—C10—C11—C162.7 (4)
C1—Fe1—C5—C4120.5 (3)C9—C10—C11—C16178.6 (2)
C9—Fe1—C5—C4174.4 (2)Fe1—C10—C11—C1688.7 (3)
C8—Fe1—C5—C4152.5 (2)C6—C10—C11—C12175.2 (2)
C10—Fe1—C5—C437.7 (6)C9—C10—C11—C123.5 (4)
C2—Fe1—C6—C7176.1 (3)Fe1—C10—C11—C1293.3 (3)
C3—Fe1—C6—C7152.05 (19)C16—C11—C12—C130.0 (4)
C1—Fe1—C6—C746.1 (6)C10—C11—C12—C13178.1 (3)
C4—Fe1—C6—C7110.6 (2)C11—C12—C13—C140.3 (5)
C5—Fe1—C6—C771.8 (2)C12—C13—C14—F1179.3 (3)
C9—Fe1—C6—C780.96 (19)C12—C13—C14—C150.1 (4)
C8—Fe1—C6—C737.65 (18)F1—C14—C15—C16179.8 (2)
C10—Fe1—C6—C7119.4 (2)C13—C14—C15—C160.5 (4)
C2—Fe1—C6—C1056.7 (3)F1—C14—C15—N10.6 (4)
C3—Fe1—C6—C1088.55 (19)C13—C14—C15—N1179.9 (2)
C7—Fe1—C6—C10119.4 (2)O2—N1—C15—C161.3 (4)
C1—Fe1—C6—C10165.5 (5)O1—N1—C15—C16179.2 (2)
C4—Fe1—C6—C10130.00 (16)O2—N1—C15—C14179.1 (3)
C5—Fe1—C6—C10168.77 (16)O1—N1—C15—C140.4 (4)
C9—Fe1—C6—C1038.45 (15)C12—C11—C16—C150.5 (3)
C8—Fe1—C6—C1081.75 (17)C10—C11—C16—C15178.5 (2)
C10—C6—C7—C80.1 (3)C14—C15—C16—C110.8 (4)
Fe1—C6—C7—C859.9 (2)N1—C15—C16—C11179.6 (2)
 

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