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The title compound, [Fe(C5H5)(C24H19NP)], a new Schiff base containing a ferrocenyl (Fc) group, has been synthesized and characterized structurally. The compound is a trans isomer with the CFc—C—N—C linkage almost planar.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806035082/hg2079sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806035082/hg2079Isup2.hkl
Contains datablock I

CCDC reference: 624713

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.079
  • wR factor = 0.192
  • Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found



Alert level A TYPE059_ALERT_1_A _diffrn_reflns_av_R_equivalents is not of type numb.
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 43 Perc. PLAT030_ALERT_1_C _diffrn_reflns_number .LE. _reflns_number_total ? PLAT230_ALERT_2_C Hirshfeld Test Diff for C26 - C27 .. 5.66 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C28 - C29 .. 5.41 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C29 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Fe PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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 0 ALERT type 5 Informative message, check

Computing details top

Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms & Wocadlo, 1995); 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.

[2-(Diphenylphosphino)phenyliminomethyl]ferrocene top
Crystal data top
[Fe(C5H5)(C24H19NP)]F(000) = 1968
Mr = 473.31Dx = 1.353 Mg m3
Orthorhombic, PbcaMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2abCell parameters from 25 reflections
a = 13.902 (3) Åθ = 9–12°
b = 9.3370 (19) ŵ = 0.73 mm1
c = 35.815 (7) ÅT = 293 K
V = 4648.9 (16) Å3Needle, red
Z = 80.40 × 0.20 × 0.10 mm
Data collection top
Enraf–Nonius CAD-4
diffractometer
1939 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeθmax = 26.0°, θmin = 1.1°
Graphite monochromatorh = 017
ω/2θ scansk = 011
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
l = 044
Tmin = 0.758, Tmax = 0.9303 standard reflections every 200 reflections
4553 measured reflections intensity decay: none
4553 independent reflections
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)] = 0.079Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.192H-atom parameters constrained
S = 0.95 w = 1/[σ2(Fo2) + (0.05P)2 + 4.5P]
where P = (Fo2 + 2Fc2)/3
4553 reflections(Δ/σ)max < 0.001
289 parametersΔρmax = 0.27 e Å3
48 restraintsΔρmin = 0.31 e Å3
Special details top

Experimental. 1H NMR (CDCl3): 3.965 (s, 5H), 4.377 (s, 2H), 4.631 (s, 2H), 7.069 (s, 1H), 7.087 (s, 1H), 7.106 (s, 1H), 7.307 (m, 11H), 8.181 (s, 1H).

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
Fe0.89610 (7)0.14778 (10)0.70454 (3)0.0528 (3)
P0.94569 (15)0.6787 (2)0.60791 (6)0.0560 (5)
N0.8422 (4)0.4198 (6)0.61883 (18)0.0566 (17)
C11.0059 (6)0.8258 (8)0.5828 (2)0.060 (2)
C21.1000 (7)0.8265 (10)0.5726 (3)0.092 (3)
H2A1.13830.74720.57770.110*
C31.1390 (8)0.9420 (12)0.5550 (3)0.123 (4)
H3A1.20410.94150.54910.148*
C41.0836 (8)1.0606 (12)0.5458 (3)0.110 (3)
H4A1.11021.13770.53300.132*
C50.9904 (8)1.0609 (10)0.5558 (3)0.095 (3)
H5A0.95231.13980.55020.114*
C60.9506 (6)0.9453 (8)0.5744 (2)0.074 (2)
H6A0.88620.94780.58140.088*
C71.0488 (5)0.5780 (8)0.6248 (2)0.0520 (18)
C81.0970 (7)0.6280 (9)0.6557 (2)0.077 (2)
H8A1.07600.71250.66670.093*
C91.1745 (8)0.5588 (11)0.6708 (3)0.104 (4)
H9A1.20440.59550.69200.125*
C101.2075 (7)0.4361 (12)0.6548 (3)0.092 (3)
H10A1.26290.39250.66390.110*
C111.1590 (6)0.3765 (10)0.6251 (3)0.086 (3)
H11A1.17860.28930.61510.103*
C121.0804 (6)0.4481 (9)0.6102 (2)0.075 (3)
H12A1.04800.40840.59000.090*
C130.9008 (5)0.5668 (7)0.5699 (2)0.0537 (18)
C140.8480 (5)0.4475 (7)0.5799 (2)0.0529 (19)
C150.8053 (5)0.3616 (9)0.5526 (2)0.066 (2)
H15A0.77050.28070.55940.080*
C160.8148 (6)0.3972 (9)0.5159 (2)0.076 (3)
H16A0.78570.34030.49780.091*
C170.8661 (6)0.5144 (10)0.5052 (2)0.073 (2)
H17A0.87180.53690.48000.087*
C180.9099 (5)0.6002 (8)0.5318 (2)0.063 (2)
H18A0.94520.68000.52450.076*
C190.8202 (5)0.2998 (7)0.6325 (2)0.055 (2)
H19A0.80900.22340.61640.066*
C200.8118 (5)0.2767 (7)0.6723 (2)0.0510 (19)
C210.8567 (5)0.3548 (7)0.7014 (2)0.0563 (18)
H21A0.90020.43660.69830.068*
C220.8267 (5)0.2984 (8)0.7349 (2)0.060 (2)
H22A0.84580.33250.75970.072*
C230.7638 (6)0.1819 (8)0.7275 (2)0.064 (2)
H23A0.73240.12140.74630.076*
C240.7572 (6)0.1657 (8)0.6885 (2)0.063 (2)
H24A0.71950.09340.67510.076*
C250.9417 (7)0.0519 (8)0.6902 (3)0.086 (3)
H25A0.90470.12670.67750.103*
C261.0014 (6)0.0537 (10)0.6736 (3)0.079 (3)
H26A1.01040.06680.64670.095*
C271.0419 (6)0.1384 (9)0.7010 (3)0.081 (3)
H27A1.08510.21980.69680.097*
C281.0109 (7)0.0863 (9)0.7362 (3)0.078 (3)
H28A1.02880.12530.76060.093*
C290.9507 (7)0.0296 (10)0.7298 (3)0.091 (3)
H29A0.91820.08590.74910.109*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe0.0537 (6)0.0300 (5)0.0747 (7)0.0024 (5)0.0060 (6)0.0031 (6)
P0.0553 (12)0.0414 (10)0.0715 (14)0.0000 (10)0.0044 (11)0.0033 (10)
N0.058 (4)0.039 (3)0.074 (5)0.006 (3)0.006 (3)0.009 (3)
C10.057 (4)0.050 (4)0.072 (5)0.004 (4)0.001 (4)0.006 (4)
C20.073 (5)0.085 (5)0.118 (6)0.001 (5)0.019 (5)0.028 (5)
C30.096 (6)0.108 (6)0.165 (8)0.014 (5)0.022 (6)0.049 (6)
C40.112 (6)0.091 (6)0.125 (7)0.015 (5)0.011 (6)0.036 (6)
C50.105 (6)0.059 (5)0.120 (7)0.000 (5)0.004 (6)0.018 (5)
C60.070 (5)0.052 (4)0.098 (6)0.004 (4)0.001 (4)0.009 (4)
C70.056 (5)0.050 (4)0.050 (4)0.006 (4)0.002 (4)0.006 (4)
C80.089 (6)0.062 (5)0.080 (6)0.001 (5)0.027 (5)0.004 (5)
C90.131 (10)0.089 (8)0.093 (8)0.001 (7)0.046 (7)0.008 (7)
C100.067 (6)0.097 (8)0.111 (8)0.006 (6)0.018 (6)0.016 (7)
C110.070 (6)0.082 (7)0.105 (7)0.025 (5)0.004 (6)0.001 (6)
C120.072 (6)0.071 (6)0.081 (6)0.010 (5)0.012 (5)0.002 (5)
C130.051 (4)0.043 (4)0.066 (5)0.003 (4)0.000 (4)0.004 (4)
C140.045 (4)0.040 (4)0.073 (5)0.006 (4)0.000 (4)0.003 (4)
C150.052 (5)0.061 (5)0.086 (6)0.008 (4)0.004 (4)0.012 (5)
C160.087 (7)0.077 (6)0.064 (6)0.004 (5)0.018 (5)0.008 (5)
C170.070 (6)0.094 (7)0.053 (5)0.003 (5)0.001 (4)0.006 (5)
C180.053 (5)0.064 (5)0.073 (6)0.003 (4)0.006 (4)0.009 (4)
C190.052 (5)0.040 (4)0.074 (6)0.002 (4)0.015 (4)0.002 (4)
C200.052 (5)0.028 (4)0.073 (5)0.005 (3)0.009 (4)0.007 (4)
C210.061 (4)0.029 (3)0.079 (5)0.002 (4)0.007 (4)0.004 (4)
C220.068 (5)0.046 (4)0.066 (5)0.010 (4)0.011 (4)0.000 (4)
C230.059 (5)0.048 (4)0.083 (6)0.002 (4)0.003 (5)0.003 (4)
C240.056 (5)0.050 (4)0.083 (6)0.001 (4)0.011 (4)0.015 (4)
C250.071 (6)0.033 (4)0.153 (10)0.011 (4)0.005 (6)0.025 (5)
C260.071 (6)0.078 (6)0.088 (7)0.009 (5)0.004 (5)0.022 (6)
C270.056 (5)0.066 (5)0.120 (8)0.000 (5)0.011 (6)0.021 (6)
C280.078 (6)0.049 (5)0.106 (8)0.013 (5)0.031 (6)0.008 (5)
C290.094 (8)0.059 (6)0.119 (9)0.040 (6)0.002 (7)0.028 (6)
Geometric parameters (Å, º) top
Fe—C212.012 (7)C11—C121.386 (10)
Fe—C242.021 (8)C11—H11A0.9300
Fe—C222.022 (7)C12—H12A0.9300
Fe—C272.033 (8)C13—C141.381 (9)
Fe—C292.033 (8)C13—C181.403 (10)
Fe—C252.035 (7)C14—C151.397 (10)
Fe—C262.035 (8)C15—C161.360 (10)
Fe—C202.039 (7)C15—H15A0.9300
Fe—C282.039 (8)C16—C171.362 (10)
Fe—C232.040 (8)C16—H16A0.9300
P—C71.818 (7)C17—C181.388 (10)
P—C131.826 (7)C17—H17A0.9300
P—C11.843 (7)C18—H18A0.9300
N—C191.260 (8)C19—C201.448 (10)
N—C141.422 (9)C19—H19A0.9300
C1—C21.357 (10)C20—C241.409 (9)
C1—C61.388 (10)C20—C211.418 (9)
C2—C31.362 (12)C21—C221.374 (9)
C2—H2A0.9300C21—H21A0.9800
C3—C41.389 (13)C22—C231.420 (9)
C3—H3A0.9300C22—H22A0.9800
C4—C51.344 (12)C23—C241.409 (10)
C4—H4A0.9300C23—H23A0.9800
C5—C61.383 (11)C24—H24A0.9800
C5—H5A0.9300C25—C261.419 (11)
C6—H6A0.9300C25—C291.438 (12)
C7—C81.373 (9)C25—H25A0.9800
C7—C121.392 (10)C26—C271.380 (11)
C8—C91.369 (11)C26—H26A0.9800
C8—H8A0.9300C27—C281.418 (11)
C9—C101.362 (12)C27—H27A0.9800
C9—H9A0.9300C28—C291.387 (11)
C10—C111.378 (11)C28—H28A0.9800
C10—H10A0.9300C29—H29A0.9800
C21—Fe—C2469.2 (3)C11—C12—H12A119.2
C21—Fe—C2239.8 (3)C7—C12—H12A119.2
C24—Fe—C2268.8 (3)C14—C13—C18118.5 (7)
C21—Fe—C27108.0 (3)C14—C13—P116.8 (6)
C24—Fe—C27159.7 (4)C18—C13—P124.5 (6)
C22—Fe—C27122.7 (4)C13—C14—C15120.6 (8)
C21—Fe—C29155.3 (4)C13—C14—N115.6 (7)
C24—Fe—C29123.4 (4)C15—C14—N123.9 (7)
C22—Fe—C29120.4 (4)C16—C15—C14119.6 (8)
C27—Fe—C2967.7 (4)C16—C15—H15A120.2
C21—Fe—C25162.0 (4)C14—C15—H15A120.2
C24—Fe—C25107.5 (4)C15—C16—C17121.3 (8)
C22—Fe—C25157.1 (4)C15—C16—H16A119.4
C27—Fe—C2568.5 (4)C17—C16—H16A119.4
C29—Fe—C2541.4 (3)C16—C17—C18120.0 (8)
C21—Fe—C26125.5 (4)C16—C17—H17A120.0
C24—Fe—C26124.6 (4)C18—C17—H17A120.0
C22—Fe—C26159.4 (4)C17—C18—C13120.0 (7)
C27—Fe—C2639.7 (3)C17—C18—H18A120.0
C29—Fe—C2667.8 (4)C13—C18—H18A120.0
C25—Fe—C2640.8 (3)N—C19—C20122.3 (7)
C21—Fe—C2041.0 (3)N—C19—H19A118.9
C24—Fe—C2040.6 (3)C20—C19—H19A118.9
C22—Fe—C2067.6 (3)C24—C20—C21108.2 (7)
C27—Fe—C20124.3 (3)C24—C20—C19124.0 (7)
C29—Fe—C20161.3 (4)C21—C20—C19127.8 (7)
C25—Fe—C20125.2 (4)C24—C20—Fe69.0 (4)
C26—Fe—C20111.1 (3)C21—C20—Fe68.5 (4)
C21—Fe—C28120.9 (3)C19—C20—Fe126.8 (5)
C24—Fe—C28158.2 (4)C22—C21—C20108.1 (6)
C22—Fe—C28105.7 (3)C22—C21—Fe70.5 (4)
C27—Fe—C2840.8 (3)C20—C21—Fe70.5 (4)
C29—Fe—C2839.8 (3)C22—C21—H21A126.0
C25—Fe—C2868.8 (4)C20—C21—H21A126.0
C26—Fe—C2867.6 (4)Fe—C21—H21A126.0
C20—Fe—C28158.5 (3)C21—C22—C23108.6 (7)
C21—Fe—C2368.1 (3)C21—C22—Fe69.7 (4)
C24—Fe—C2340.6 (3)C23—C22—Fe70.2 (4)
C22—Fe—C2340.9 (3)C21—C22—H22A125.7
C27—Fe—C23158.6 (4)C23—C22—H22A125.7
C29—Fe—C23106.5 (4)Fe—C22—H22A125.7
C25—Fe—C23121.7 (4)C24—C23—C22107.8 (7)
C26—Fe—C23159.3 (4)C24—C23—Fe69.0 (5)
C20—Fe—C2367.5 (3)C22—C23—Fe68.9 (4)
C28—Fe—C23121.7 (4)C24—C23—H23A126.1
C7—P—C13102.8 (3)C22—C23—H23A126.1
C7—P—C1101.0 (3)Fe—C23—H23A126.1
C13—P—C1102.5 (3)C23—C24—C20107.1 (7)
C19—N—C14123.8 (7)C23—C24—Fe70.4 (5)
C2—C1—C6118.2 (8)C20—C24—Fe70.4 (4)
C2—C1—P124.9 (7)C23—C24—H24A126.4
C6—C1—P116.9 (6)C20—C24—H24A126.4
C1—C2—C3120.7 (9)Fe—C24—H24A126.4
C1—C2—H2A119.6C26—C25—C29105.2 (8)
C3—C2—H2A119.6C26—C25—Fe69.6 (4)
C2—C3—C4121.5 (10)C29—C25—Fe69.2 (4)
C2—C3—H3A119.3C26—C25—H25A127.4
C4—C3—H3A119.3C29—C25—H25A127.4
C5—C4—C3118.1 (10)Fe—C25—H25A127.4
C5—C4—H4A120.9C27—C26—C25109.8 (9)
C3—C4—H4A120.9C27—C26—Fe70.1 (5)
C4—C5—C6120.9 (10)C25—C26—Fe69.6 (5)
C4—C5—H5A119.6C27—C26—H26A125.1
C6—C5—H5A119.6C25—C26—H26A125.1
C5—C6—C1120.6 (9)Fe—C26—H26A125.1
C5—C6—H6A119.7C26—C27—C28108.1 (8)
C1—C6—H6A119.7C26—C27—Fe70.3 (5)
C8—C7—C12116.4 (7)C28—C27—Fe69.9 (5)
C8—C7—P118.5 (6)C26—C27—H27A125.9
C12—C7—P125.0 (6)C28—C27—H27A125.9
C9—C8—C7122.9 (8)Fe—C27—H27A125.9
C9—C8—H8A118.6C29—C28—C27107.7 (9)
C7—C8—H8A118.6C29—C28—Fe69.8 (5)
C10—C9—C8119.7 (9)C27—C28—Fe69.4 (5)
C10—C9—H9A120.2C29—C28—H28A126.2
C8—C9—H9A120.2C27—C28—H28A126.2
C9—C10—C11120.1 (10)Fe—C28—H28A126.2
C9—C10—H10A120.0C28—C29—C25109.2 (9)
C11—C10—H10A120.0C28—C29—Fe70.3 (5)
C10—C11—C12119.1 (9)C25—C29—Fe69.4 (5)
C10—C11—H11A120.4C28—C29—H29A125.4
C12—C11—H11A120.4C25—C29—H29A125.4
C11—C12—C7121.7 (8)Fe—C29—H29A125.4
C7—P—C1—C215.4 (9)C29—Fe—C23—C22117.6 (5)
C13—P—C1—C290.6 (8)C25—Fe—C23—C22160.2 (5)
C7—P—C1—C6163.2 (6)C26—Fe—C23—C22171.7 (9)
C13—P—C1—C690.8 (7)C20—Fe—C23—C2281.2 (5)
C6—C1—C2—C30.5 (15)C28—Fe—C23—C2276.9 (5)
P—C1—C2—C3178.1 (8)C22—C23—C24—C203.1 (9)
C1—C2—C3—C42.1 (18)Fe—C23—C24—C2061.1 (5)
C2—C3—C4—C52.3 (19)C22—C23—C24—Fe58.1 (5)
C3—C4—C5—C60.9 (17)C21—C20—C24—C233.8 (8)
C4—C5—C6—C10.7 (16)C19—C20—C24—C23177.8 (7)
C2—C1—C6—C50.9 (13)Fe—C20—C24—C2361.2 (5)
P—C1—C6—C5179.6 (7)C21—C20—C24—Fe57.3 (5)
C13—P—C7—C8175.8 (6)C19—C20—C24—Fe121.0 (7)
C1—P—C7—C878.5 (7)C21—Fe—C24—C2380.2 (5)
C13—P—C7—C120.4 (7)C22—Fe—C24—C2337.5 (4)
C1—P—C7—C12105.4 (7)C27—Fe—C24—C23166.0 (9)
C12—C7—C8—C92.6 (13)C29—Fe—C24—C2375.8 (6)
P—C7—C8—C9179.1 (8)C25—Fe—C24—C23118.6 (5)
C7—C8—C9—C101.0 (16)C26—Fe—C24—C23160.3 (5)
C8—C9—C10—C114.6 (16)C20—Fe—C24—C23117.3 (7)
C9—C10—C11—C124.4 (15)C28—Fe—C24—C2341.9 (11)
C10—C11—C12—C70.6 (14)C21—Fe—C24—C2037.1 (4)
C8—C7—C12—C112.7 (12)C22—Fe—C24—C2079.9 (5)
P—C7—C12—C11179.0 (7)C27—Fe—C24—C2048.7 (11)
C7—P—C13—C1477.8 (6)C29—Fe—C24—C20166.9 (5)
C1—P—C13—C14177.7 (6)C25—Fe—C24—C20124.1 (5)
C7—P—C13—C18107.5 (7)C26—Fe—C24—C2082.4 (6)
C1—P—C13—C183.0 (7)C28—Fe—C24—C20159.2 (8)
C18—C13—C14—C150.4 (11)C23—Fe—C24—C20117.3 (7)
P—C13—C14—C15175.5 (6)C21—Fe—C25—C2646.4 (14)
C18—C13—C14—N179.8 (6)C24—Fe—C25—C26123.0 (6)
P—C13—C14—N5.2 (9)C22—Fe—C25—C26160.0 (8)
C19—N—C14—C13160.5 (7)C27—Fe—C25—C2635.9 (5)
C19—N—C14—C1518.8 (12)C29—Fe—C25—C26116.1 (8)
C13—C14—C15—C160.9 (12)C20—Fe—C25—C2681.7 (6)
N—C14—C15—C16179.9 (7)C28—Fe—C25—C2679.8 (6)
C14—C15—C16—C170.6 (13)C23—Fe—C25—C26165.2 (5)
C15—C16—C17—C180.0 (13)C21—Fe—C25—C29162.5 (10)
C16—C17—C18—C130.4 (13)C24—Fe—C25—C29120.9 (6)
C14—C13—C18—C170.2 (11)C22—Fe—C25—C2943.9 (12)
P—C13—C18—C17174.4 (6)C27—Fe—C25—C2980.2 (6)
C14—N—C19—C20177.9 (6)C26—Fe—C25—C29116.1 (9)
N—C19—C20—C24157.1 (7)C20—Fe—C25—C29162.2 (6)
N—C19—C20—C2124.9 (12)C28—Fe—C25—C2936.3 (6)
N—C19—C20—Fe114.9 (7)C23—Fe—C25—C2978.7 (7)
C21—Fe—C20—C24120.7 (7)C29—C25—C26—C271.9 (10)
C22—Fe—C20—C2483.1 (5)Fe—C25—C26—C2758.6 (6)
C27—Fe—C20—C24161.6 (5)C29—C25—C26—Fe60.5 (6)
C29—Fe—C20—C2436.1 (13)C21—Fe—C26—C2774.7 (7)
C25—Fe—C20—C2475.1 (6)C24—Fe—C26—C27162.5 (5)
C26—Fe—C20—C24119.0 (5)C22—Fe—C26—C2736.4 (13)
C28—Fe—C20—C24158.9 (9)C29—Fe—C26—C2781.4 (6)
C23—Fe—C20—C2438.7 (4)C25—Fe—C26—C27121.3 (8)
C24—Fe—C20—C21120.7 (7)C20—Fe—C26—C27118.7 (6)
C22—Fe—C20—C2137.6 (4)C28—Fe—C26—C2738.2 (5)
C27—Fe—C20—C2177.6 (6)C23—Fe—C26—C27159.2 (9)
C29—Fe—C20—C21156.8 (11)C21—Fe—C26—C25164.0 (6)
C25—Fe—C20—C21164.2 (5)C24—Fe—C26—C2576.2 (7)
C26—Fe—C20—C21120.3 (5)C22—Fe—C26—C25157.7 (9)
C28—Fe—C20—C2138.1 (11)C27—Fe—C26—C25121.3 (8)
C23—Fe—C20—C2182.0 (5)C29—Fe—C26—C2539.9 (6)
C21—Fe—C20—C19121.9 (8)C20—Fe—C26—C25120.0 (6)
C24—Fe—C20—C19117.4 (8)C28—Fe—C26—C2583.1 (6)
C22—Fe—C20—C19159.4 (7)C23—Fe—C26—C2537.9 (13)
C27—Fe—C20—C1944.2 (8)C25—C26—C27—C281.6 (10)
C29—Fe—C20—C1981.3 (13)Fe—C26—C27—C2859.9 (6)
C25—Fe—C20—C1942.3 (8)C25—C26—C27—Fe58.3 (6)
C26—Fe—C20—C191.6 (7)C21—Fe—C27—C26124.3 (6)
C28—Fe—C20—C1983.7 (12)C24—Fe—C27—C2645.7 (12)
C23—Fe—C20—C19156.1 (7)C22—Fe—C27—C26165.6 (5)
C24—C20—C21—C223.2 (8)C29—Fe—C27—C2681.6 (6)
C19—C20—C21—C22178.6 (7)C25—Fe—C27—C2636.8 (6)
Fe—C20—C21—C2260.8 (5)C20—Fe—C27—C2682.0 (6)
C24—C20—C21—Fe57.7 (5)C28—Fe—C27—C26118.9 (8)
C19—C20—C21—Fe120.6 (7)C23—Fe—C27—C26159.9 (8)
C24—Fe—C21—C2281.5 (5)C21—Fe—C27—C28116.8 (5)
C27—Fe—C21—C22119.8 (5)C24—Fe—C27—C28164.6 (8)
C29—Fe—C21—C2244.1 (10)C22—Fe—C27—C2875.5 (6)
C25—Fe—C21—C22164.4 (10)C29—Fe—C27—C2837.3 (5)
C26—Fe—C21—C22160.1 (5)C25—Fe—C27—C2882.1 (5)
C20—Fe—C21—C22118.3 (6)C26—Fe—C27—C28118.9 (8)
C28—Fe—C21—C2277.0 (6)C20—Fe—C27—C28159.1 (5)
C23—Fe—C21—C2237.8 (4)C23—Fe—C27—C2841.0 (11)
C24—Fe—C21—C2036.8 (4)C26—C27—C28—C290.6 (10)
C22—Fe—C21—C20118.3 (6)Fe—C27—C28—C2959.5 (6)
C27—Fe—C21—C20121.9 (5)C26—C27—C28—Fe60.1 (6)
C29—Fe—C21—C20162.4 (8)C21—Fe—C28—C29159.3 (6)
C25—Fe—C21—C2046.1 (13)C24—Fe—C28—C2946.7 (12)
C26—Fe—C21—C2081.6 (5)C22—Fe—C28—C29118.9 (6)
C28—Fe—C21—C20164.7 (5)C27—Fe—C28—C29119.0 (8)
C23—Fe—C21—C2080.5 (5)C25—Fe—C28—C2937.7 (6)
C20—C21—C22—C231.2 (8)C26—Fe—C28—C2981.8 (6)
Fe—C21—C22—C2359.6 (5)C20—Fe—C28—C29172.6 (8)
C20—C21—C22—Fe60.8 (5)C23—Fe—C28—C2977.4 (7)
C24—Fe—C22—C2182.5 (5)C21—Fe—C28—C2781.8 (6)
C27—Fe—C22—C2178.7 (6)C24—Fe—C28—C27165.6 (8)
C29—Fe—C22—C21160.3 (5)C22—Fe—C28—C27122.2 (5)
C25—Fe—C22—C21167.6 (8)C29—Fe—C28—C27119.0 (8)
C26—Fe—C22—C2152.0 (11)C25—Fe—C28—C2781.3 (6)
C20—Fe—C22—C2138.6 (4)C26—Fe—C28—C2737.2 (5)
C28—Fe—C22—C21119.7 (5)C20—Fe—C28—C2753.6 (11)
C23—Fe—C22—C21119.7 (7)C23—Fe—C28—C27163.7 (5)
C21—Fe—C22—C23119.7 (7)C27—C28—C29—C250.6 (10)
C24—Fe—C22—C2337.2 (4)Fe—C28—C29—C2558.6 (6)
C27—Fe—C22—C23161.6 (5)C27—C28—C29—Fe59.3 (6)
C29—Fe—C22—C2380.0 (6)C26—C25—C29—C281.5 (10)
C25—Fe—C22—C2347.9 (10)Fe—C25—C29—C2859.2 (6)
C26—Fe—C22—C23171.6 (9)C26—C25—C29—Fe60.7 (6)
C20—Fe—C22—C2381.1 (5)C21—Fe—C29—C2846.6 (11)
C28—Fe—C22—C23120.6 (5)C24—Fe—C29—C28161.1 (6)
C21—C22—C23—C241.2 (9)C22—Fe—C29—C2877.7 (7)
Fe—C22—C23—C2458.1 (5)C27—Fe—C29—C2838.1 (6)
C21—C22—C23—Fe59.3 (5)C25—Fe—C29—C28120.5 (9)
C21—Fe—C23—C2483.2 (5)C26—Fe—C29—C2881.1 (6)
C22—Fe—C23—C24120.0 (7)C20—Fe—C29—C28171.5 (9)
C27—Fe—C23—C24166.7 (8)C23—Fe—C29—C28120.0 (6)
C29—Fe—C23—C24122.4 (5)C21—Fe—C29—C25167.1 (7)
C25—Fe—C23—C2479.8 (6)C24—Fe—C29—C2578.4 (7)
C26—Fe—C23—C2451.7 (12)C22—Fe—C29—C25161.8 (5)
C20—Fe—C23—C2438.8 (4)C27—Fe—C29—C2582.3 (6)
C28—Fe—C23—C24163.1 (5)C26—Fe—C29—C2539.3 (5)
C21—Fe—C23—C2236.8 (4)C20—Fe—C29—C2551.0 (14)
C24—Fe—C23—C22120.0 (7)C28—Fe—C29—C25120.5 (9)
C27—Fe—C23—C2246.7 (11)C23—Fe—C29—C25119.5 (6)
 

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