Download citation
Download citation
link to html
The title compound, [Fe(C5H5)(C20H20N)], possesses normal geometrical parameters. A network of C—H...π inter­actions, one of which is bifurcated, helps to consolidate the crystal packing.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805033039/hb6275sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805033039/hb6275Isup2.hkl
Contains datablock I

CCDC reference: 289750

Key indicators

  • Single-crystal X-ray study
  • T = 291 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.058
  • wR factor = 0.113
  • Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1B ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H7A .. CG2 .. 3.20 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H7A .. CG3 .. 3.00 Ang.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 26.00 From the CIF: _reflns_number_total 3866 Count of symmetry unique reflns 2288 Completeness (_total/calc) 168.97% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1578 Fraction of Friedel pairs measured 0.690 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 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 1 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

α-Ferrocenyl-N-(1-phenylethyl)benzylamine top
Crystal data top
[Fe(C5H5)(C20H20N)]F(000) = 832
Mr = 395.31Dx = 1.309 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 1875 reflections
a = 8.0109 (16) Åθ = 2.1–24.6°
b = 8.7198 (17) ŵ = 0.76 mm1
c = 28.718 (6) ÅT = 291 K
V = 2006.0 (7) Å3Block, orange
Z = 40.20 × 0.19 × 0.18 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
3866 independent reflections
Radiation source: sealed tube2675 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.043
φ and ω scansθmax = 26.0°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 99
Tmin = 0.863, Tmax = 0.875k = 1010
9952 measured reflectionsl = 3535
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.058H-atom parameters constrained
wR(F2) = 0.113 w = 1/[σ2(Fo2) + (0.1P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.99(Δ/σ)max < 0.001
3866 reflectionsΔρmax = 0.61 e Å3
244 parametersΔρmin = 0.42 e Å3
0 restraintsAbsolute structure: Flack (1983), 1578 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.08 (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
xyzUiso*/Ueq
Fe10.21144 (8)0.48754 (7)0.94786 (2)0.04624 (18)
N10.4708 (4)0.4104 (4)0.84801 (12)0.0424 (8)
H1B0.50060.49470.86120.051*
C10.0528 (7)0.5511 (7)0.8967 (2)0.0710 (17)
H1A0.04190.49960.86650.085*
C20.0363 (6)0.5197 (8)0.9336 (2)0.0747 (16)
H2A0.12190.43950.93530.090*
C30.0140 (7)0.6107 (7)0.9709 (2)0.0680 (16)
H3A0.03270.61051.00240.082*
C40.1347 (7)0.7122 (6)0.9531 (2)0.0739 (16)
H4A0.19070.79650.96940.089*
C50.1533 (8)0.6679 (7)0.9054 (2)0.0693 (16)
H5A0.22900.71580.88290.083*
C60.2542 (5)0.2584 (4)0.95472 (16)0.0427 (10)
H6A0.17600.17580.94690.051*
C70.2699 (6)0.3330 (5)0.99921 (16)0.0521 (11)
H7A0.20300.31121.02700.062*
C80.3943 (5)0.4452 (5)0.99537 (16)0.0470 (11)
H8A0.42920.51521.02020.056*
C90.4617 (5)0.4408 (5)0.94997 (16)0.0418 (9)
H9A0.55050.50740.93810.050*
C100.3763 (6)0.3255 (5)0.92395 (15)0.0403 (10)
C110.4123 (5)0.2760 (4)0.87481 (14)0.0346 (9)
H11A0.31010.23560.86060.042*
C120.5458 (6)0.1497 (5)0.87590 (15)0.0415 (10)
C130.7139 (6)0.1782 (6)0.87087 (16)0.0538 (11)
H13A0.75180.27700.86480.065*
C140.8261 (7)0.0581 (6)0.87498 (19)0.0643 (16)
H14A0.93920.07640.87020.077*
C150.7737 (9)0.0871 (7)0.88589 (19)0.0730 (16)
H15A0.85090.16590.88960.088*
C160.6088 (7)0.1148 (7)0.8913 (2)0.0638 (15)
H16A0.57390.21360.89850.077*
C170.4912 (6)0.0016 (6)0.88629 (16)0.0595 (12)
H17A0.37820.02340.88970.071*
C180.4745 (5)0.3891 (5)0.79692 (15)0.0417 (10)
H18A0.47590.27860.79070.050*
C190.3210 (5)0.4540 (6)0.77464 (18)0.0643 (15)
H19A0.22380.40820.78840.096*
H19B0.32270.43250.74190.096*
H19C0.31800.56290.77940.096*
C200.6315 (5)0.4570 (5)0.77617 (15)0.0414 (10)
C210.7264 (6)0.5612 (6)0.79856 (15)0.0509 (11)
H21A0.69550.59310.82820.061*
C220.8722 (6)0.6231 (7)0.77785 (18)0.0617 (14)
H22A0.93770.69320.79410.074*
C230.9157 (7)0.5789 (7)0.7340 (2)0.0701 (16)
H23A1.01150.61840.72010.084*
C240.8183 (7)0.4765 (7)0.71024 (17)0.0670 (15)
H24A0.84790.44670.68030.080*
C250.6752 (7)0.4168 (6)0.73084 (18)0.0622 (14)
H25A0.60800.34940.71420.075*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0426 (3)0.0442 (3)0.0520 (4)0.0078 (3)0.0019 (3)0.0010 (3)
N10.059 (2)0.038 (2)0.0295 (19)0.0080 (16)0.0039 (17)0.0018 (14)
C10.065 (3)0.076 (5)0.072 (4)0.031 (3)0.021 (3)0.000 (3)
C20.047 (3)0.079 (4)0.098 (4)0.017 (3)0.016 (3)0.011 (4)
C30.058 (3)0.071 (4)0.075 (4)0.027 (3)0.006 (3)0.010 (3)
C40.074 (3)0.055 (3)0.093 (5)0.027 (3)0.020 (4)0.013 (3)
C50.079 (4)0.062 (3)0.068 (4)0.027 (3)0.001 (3)0.011 (3)
C60.044 (2)0.0363 (19)0.048 (2)0.0040 (15)0.010 (2)0.003 (2)
C70.060 (3)0.054 (3)0.043 (2)0.006 (2)0.002 (2)0.009 (2)
C80.052 (3)0.055 (3)0.034 (2)0.009 (2)0.004 (2)0.006 (2)
C90.040 (2)0.048 (2)0.038 (2)0.0072 (17)0.006 (2)0.007 (2)
C100.048 (2)0.039 (2)0.034 (2)0.0085 (18)0.003 (2)0.0018 (19)
C110.040 (2)0.034 (2)0.030 (2)0.0075 (17)0.0012 (17)0.0023 (17)
C120.053 (3)0.039 (2)0.033 (2)0.0145 (19)0.007 (2)0.0071 (19)
C130.047 (2)0.069 (3)0.045 (3)0.016 (3)0.003 (3)0.006 (2)
C140.072 (4)0.073 (4)0.049 (3)0.021 (3)0.001 (3)0.013 (3)
C150.071 (4)0.080 (4)0.068 (4)0.014 (3)0.005 (3)0.010 (3)
C160.069 (4)0.054 (3)0.069 (4)0.015 (3)0.007 (3)0.005 (3)
C170.073 (3)0.039 (2)0.067 (3)0.018 (3)0.009 (2)0.003 (3)
C180.048 (3)0.036 (2)0.042 (2)0.0026 (18)0.000 (2)0.008 (2)
C190.047 (3)0.085 (4)0.061 (3)0.006 (2)0.007 (2)0.002 (3)
C200.051 (2)0.040 (3)0.033 (2)0.0064 (19)0.001 (2)0.0010 (19)
C210.043 (2)0.072 (3)0.037 (2)0.008 (2)0.004 (2)0.002 (2)
C220.054 (3)0.086 (4)0.045 (3)0.010 (3)0.006 (3)0.012 (3)
C230.062 (4)0.095 (4)0.053 (4)0.009 (3)0.014 (3)0.028 (3)
C240.081 (4)0.077 (4)0.043 (3)0.013 (3)0.007 (3)0.011 (3)
C250.080 (4)0.063 (3)0.044 (3)0.001 (3)0.007 (3)0.003 (2)
Geometric parameters (Å, º) top
Fe1—C12.021 (5)C10—C111.504 (5)
Fe1—C32.023 (5)C11—C121.535 (5)
Fe1—C82.036 (4)C11—H11A0.9800
Fe1—C62.037 (4)C12—C131.377 (7)
Fe1—C52.044 (5)C12—C171.422 (7)
Fe1—C22.046 (5)C13—C141.385 (6)
Fe1—C92.046 (4)C13—H13A0.9300
Fe1—C72.052 (4)C14—C151.370 (8)
Fe1—C102.052 (4)C14—H14A0.9300
Fe1—C42.058 (5)C15—C161.352 (9)
N1—C111.478 (5)C15—H15A0.9300
N1—C181.479 (5)C16—C171.372 (7)
N1—H1B0.8600C16—H16A0.9300
C1—C21.308 (8)C17—H17A0.9300
C1—C51.322 (8)C18—C191.497 (6)
C1—H1A0.9800C18—C201.513 (6)
C2—C31.393 (8)C18—H18A0.9800
C2—H2A0.9800C19—H19A0.9600
C3—C41.407 (8)C19—H19B0.9600
C3—H3A0.9800C19—H19C0.9600
C4—C51.431 (8)C20—C211.347 (6)
C4—H4A0.9800C20—C251.393 (6)
C5—H5A0.9800C21—C221.418 (6)
C6—C71.439 (6)C21—H21A0.9300
C6—C101.442 (6)C22—C231.363 (7)
C6—H6A0.9800C22—H22A0.9300
C7—C81.401 (6)C23—C241.367 (8)
C7—H7A0.9800C23—H23A0.9300
C8—C91.412 (6)C24—C251.391 (7)
C8—H8A0.9800C24—H24A0.9300
C9—C101.427 (6)C25—H25A0.9300
C9—H9A0.9800
C1—Fe1—C366.5 (3)C7—C6—H6A126.2
C1—Fe1—C8171.9 (2)C10—C6—H6A126.2
C3—Fe1—C8116.1 (2)Fe1—C6—H6A126.2
C1—Fe1—C6116.4 (2)C8—C7—C6107.9 (4)
C3—Fe1—C6128.4 (2)C8—C7—Fe169.3 (3)
C8—Fe1—C668.66 (18)C6—C7—Fe168.8 (2)
C1—Fe1—C538.0 (2)C8—C7—H7A126.0
C3—Fe1—C567.0 (2)C6—C7—H7A126.0
C8—Fe1—C5134.7 (2)Fe1—C7—H7A126.0
C6—Fe1—C5148.3 (2)C7—C8—C9109.0 (4)
C1—Fe1—C237.5 (2)C7—C8—Fe170.6 (3)
C3—Fe1—C240.0 (2)C9—C8—Fe170.2 (2)
C8—Fe1—C2149.0 (2)C7—C8—H8A125.5
C6—Fe1—C2108.5 (2)C9—C8—H8A125.5
C5—Fe1—C263.5 (3)Fe1—C8—H8A125.5
C1—Fe1—C9133.8 (2)C8—C9—C10108.6 (4)
C3—Fe1—C9149.5 (2)C8—C9—Fe169.4 (2)
C8—Fe1—C940.46 (17)C10—C9—Fe169.8 (2)
C6—Fe1—C968.72 (16)C8—C9—H9A125.7
C5—Fe1—C9113.2 (2)C10—C9—H9A125.7
C2—Fe1—C9169.6 (2)Fe1—C9—H9A125.7
C1—Fe1—C7147.8 (3)C9—C10—C6106.9 (4)
C3—Fe1—C7107.0 (2)C9—C10—C11127.0 (4)
C8—Fe1—C740.08 (18)C6—C10—C11126.1 (4)
C6—Fe1—C741.21 (18)C9—C10—Fe169.4 (2)
C5—Fe1—C7170.5 (2)C6—C10—Fe168.8 (2)
C2—Fe1—C7117.1 (3)C11—C10—Fe1129.4 (3)
C9—Fe1—C767.94 (19)N1—C11—C10108.8 (3)
C1—Fe1—C10110.5 (2)N1—C11—C12111.0 (3)
C3—Fe1—C10168.0 (2)C10—C11—C12108.7 (3)
C8—Fe1—C1068.67 (17)N1—C11—H11A109.4
C6—Fe1—C1041.31 (16)C10—C11—H11A109.4
C5—Fe1—C10118.5 (2)C12—C11—H11A109.4
C2—Fe1—C10130.7 (2)C13—C12—C17119.4 (4)
C9—Fe1—C1040.75 (17)C13—C12—C11123.3 (4)
C7—Fe1—C1068.99 (18)C17—C12—C11117.1 (4)
C1—Fe1—C466.7 (2)C12—C13—C14119.3 (5)
C3—Fe1—C440.3 (2)C12—C13—H13A120.4
C8—Fe1—C4109.8 (2)C14—C13—H13A120.4
C6—Fe1—C4167.6 (2)C15—C14—C13121.3 (6)
C5—Fe1—C440.8 (2)C15—C14—H14A119.3
C2—Fe1—C466.1 (3)C13—C14—H14A119.3
C9—Fe1—C4118.7 (2)C16—C15—C14119.3 (6)
C7—Fe1—C4129.9 (2)C16—C15—H15A120.3
C10—Fe1—C4150.6 (2)C14—C15—H15A120.3
C11—N1—C18115.0 (3)C15—C16—C17122.1 (6)
C11—N1—H1B122.5C15—C16—H16A119.0
C18—N1—H1B122.5C17—C16—H16A119.0
C2—C1—C5109.9 (6)C16—C17—C12118.6 (5)
C2—C1—Fe172.3 (3)C16—C17—H17A120.7
C5—C1—Fe172.0 (3)C12—C17—H17A120.7
C2—C1—H1A125.0N1—C18—C19111.1 (4)
C5—C1—H1A125.0N1—C18—C20111.0 (3)
Fe1—C1—H1A125.0C19—C18—C20111.5 (4)
C1—C2—C3110.3 (6)N1—C18—H18A107.7
C1—C2—Fe170.2 (3)C19—C18—H18A107.7
C3—C2—Fe169.1 (3)C20—C18—H18A107.7
C1—C2—H2A124.8C18—C19—H19A109.5
C3—C2—H2A124.8C18—C19—H19B109.5
Fe1—C2—H2A124.8H19A—C19—H19B109.5
C2—C3—C4106.1 (6)C18—C19—H19C109.5
C2—C3—Fe170.9 (3)H19A—C19—H19C109.5
C4—C3—Fe171.2 (3)H19B—C19—H19C109.5
C2—C3—H3A126.8C21—C20—C25118.3 (4)
C4—C3—H3A126.8C21—C20—C18123.0 (4)
Fe1—C3—H3A126.8C25—C20—C18118.6 (4)
C3—C4—C5104.5 (5)C20—C21—C22121.4 (5)
C3—C4—Fe168.5 (3)C20—C21—H21A119.3
C5—C4—Fe169.0 (3)C22—C21—H21A119.3
C3—C4—H4A127.8C23—C22—C21119.4 (5)
C5—C4—H4A127.8C23—C22—H22A120.3
Fe1—C4—H4A127.8C21—C22—H22A120.3
C1—C5—C4109.0 (6)C22—C23—C24120.0 (5)
C1—C5—Fe170.1 (3)C22—C23—H23A120.0
C4—C5—Fe170.1 (3)C24—C23—H23A120.0
C1—C5—H5A125.5C23—C24—C25120.2 (5)
C4—C5—H5A125.5C23—C24—H24A119.9
Fe1—C5—H5A125.5C25—C24—H24A119.9
C7—C6—C10107.5 (4)C24—C25—C20120.7 (5)
C7—C6—Fe170.0 (2)C24—C25—H25A119.7
C10—C6—Fe169.9 (2)C20—C25—H25A119.7
C3—Fe1—C1—C236.5 (4)C10—Fe1—C7—C881.4 (3)
C6—Fe1—C1—C286.2 (4)C4—Fe1—C7—C872.1 (4)
C5—Fe1—C1—C2118.7 (6)C1—Fe1—C7—C656.9 (5)
C9—Fe1—C1—C2171.3 (4)C3—Fe1—C7—C6129.5 (3)
C7—Fe1—C1—C248.1 (6)C8—Fe1—C7—C6119.9 (4)
C10—Fe1—C1—C2131.0 (4)C2—Fe1—C7—C687.5 (3)
C4—Fe1—C1—C280.6 (4)C9—Fe1—C7—C682.4 (3)
C3—Fe1—C1—C582.2 (4)C10—Fe1—C7—C638.5 (3)
C6—Fe1—C1—C5155.2 (3)C4—Fe1—C7—C6167.9 (3)
C2—Fe1—C1—C5118.7 (6)C6—C7—C8—C91.7 (5)
C9—Fe1—C1—C570.0 (5)Fe1—C7—C8—C959.9 (3)
C7—Fe1—C1—C5166.8 (4)C6—C7—C8—Fe158.1 (3)
C10—Fe1—C1—C5110.4 (4)C3—Fe1—C8—C785.6 (3)
C4—Fe1—C1—C538.1 (4)C6—Fe1—C8—C737.8 (3)
C5—C1—C2—C35.0 (7)C5—Fe1—C8—C7168.2 (3)
Fe1—C1—C2—C357.5 (4)C2—Fe1—C8—C752.8 (6)
C5—C1—C2—Fe162.5 (4)C9—Fe1—C8—C7119.6 (4)
C3—Fe1—C2—C1122.1 (6)C10—Fe1—C8—C782.3 (3)
C8—Fe1—C2—C1171.3 (4)C4—Fe1—C8—C7129.0 (3)
C6—Fe1—C2—C1109.6 (4)C3—Fe1—C8—C9154.8 (3)
C5—Fe1—C2—C137.1 (4)C6—Fe1—C8—C981.8 (3)
C9—Fe1—C2—C137.0 (16)C5—Fe1—C8—C972.2 (4)
C7—Fe1—C2—C1153.5 (4)C2—Fe1—C8—C9172.4 (4)
C10—Fe1—C2—C168.8 (5)C7—Fe1—C8—C9119.6 (4)
C4—Fe1—C2—C182.3 (4)C10—Fe1—C8—C937.3 (2)
C1—Fe1—C2—C3122.1 (6)C4—Fe1—C8—C9111.3 (3)
C8—Fe1—C2—C349.2 (7)C7—C8—C9—C101.2 (5)
C6—Fe1—C2—C3128.3 (4)Fe1—C8—C9—C1059.0 (3)
C5—Fe1—C2—C385.0 (4)C7—C8—C9—Fe160.1 (3)
C9—Fe1—C2—C3159.1 (12)C1—Fe1—C9—C8171.6 (3)
C7—Fe1—C2—C384.4 (4)C3—Fe1—C9—C849.0 (5)
C10—Fe1—C2—C3169.1 (3)C6—Fe1—C9—C881.7 (3)
C4—Fe1—C2—C339.7 (4)C5—Fe1—C9—C8132.6 (3)
C1—C2—C3—C44.7 (6)C2—Fe1—C9—C8157.9 (13)
Fe1—C2—C3—C462.9 (3)C7—Fe1—C9—C837.2 (3)
C1—C2—C3—Fe158.2 (4)C10—Fe1—C9—C8120.1 (4)
C1—Fe1—C3—C234.2 (4)C4—Fe1—C9—C887.4 (3)
C8—Fe1—C3—C2154.3 (4)C1—Fe1—C9—C1068.3 (4)
C6—Fe1—C3—C271.7 (5)C3—Fe1—C9—C10169.1 (4)
C5—Fe1—C3—C275.7 (4)C8—Fe1—C9—C10120.1 (4)
C9—Fe1—C3—C2172.7 (4)C6—Fe1—C9—C1038.5 (2)
C7—Fe1—C3—C2112.1 (4)C5—Fe1—C9—C10107.3 (3)
C10—Fe1—C3—C243.5 (12)C2—Fe1—C9—C1037.7 (14)
C4—Fe1—C3—C2115.4 (6)C7—Fe1—C9—C1083.0 (3)
C1—Fe1—C3—C481.2 (4)C4—Fe1—C9—C10152.5 (3)
C8—Fe1—C3—C490.3 (4)C8—C9—C10—C60.1 (4)
C6—Fe1—C3—C4172.9 (3)Fe1—C9—C10—C658.8 (3)
C5—Fe1—C3—C439.7 (4)C8—C9—C10—C11176.8 (4)
C2—Fe1—C3—C4115.4 (6)Fe1—C9—C10—C11124.5 (4)
C9—Fe1—C3—C457.3 (6)C8—C9—C10—Fe158.7 (3)
C7—Fe1—C3—C4132.5 (4)C7—C6—C10—C90.9 (5)
C10—Fe1—C3—C4158.9 (9)Fe1—C6—C10—C959.2 (3)
C2—C3—C4—C52.6 (5)C7—C6—C10—C11175.8 (4)
Fe1—C3—C4—C560.1 (3)Fe1—C6—C10—C11124.1 (4)
C2—C3—C4—Fe162.7 (4)C7—C6—C10—Fe160.1 (3)
C1—Fe1—C4—C380.5 (4)C1—Fe1—C10—C9134.3 (3)
C8—Fe1—C4—C3107.4 (4)C3—Fe1—C10—C9152.7 (10)
C6—Fe1—C4—C326.8 (12)C8—Fe1—C10—C937.1 (3)
C5—Fe1—C4—C3116.0 (5)C6—Fe1—C10—C9118.6 (3)
C2—Fe1—C4—C339.4 (4)C5—Fe1—C10—C993.3 (3)
C9—Fe1—C4—C3150.9 (3)C2—Fe1—C10—C9171.6 (4)
C7—Fe1—C4—C366.7 (4)C7—Fe1—C10—C980.2 (3)
C10—Fe1—C4—C3171.2 (4)C4—Fe1—C10—C955.7 (5)
C1—Fe1—C4—C535.5 (4)C1—Fe1—C10—C6107.1 (3)
C3—Fe1—C4—C5116.0 (5)C3—Fe1—C10—C634.1 (11)
C8—Fe1—C4—C5136.7 (4)C8—Fe1—C10—C681.5 (3)
C6—Fe1—C4—C5142.8 (10)C5—Fe1—C10—C6148.1 (3)
C2—Fe1—C4—C576.5 (4)C2—Fe1—C10—C669.8 (4)
C9—Fe1—C4—C593.1 (4)C9—Fe1—C10—C6118.6 (3)
C7—Fe1—C4—C5177.3 (4)C7—Fe1—C10—C638.4 (3)
C10—Fe1—C4—C555.2 (6)C4—Fe1—C10—C6174.2 (4)
C2—C1—C5—C43.2 (6)C1—Fe1—C10—C1112.7 (5)
Fe1—C1—C5—C459.5 (4)C3—Fe1—C10—C1185.8 (11)
C2—C1—C5—Fe162.7 (4)C8—Fe1—C10—C11158.6 (4)
C3—C4—C5—C10.2 (6)C6—Fe1—C10—C11119.9 (5)
Fe1—C4—C5—C159.5 (4)C5—Fe1—C10—C1128.2 (5)
C3—C4—C5—Fe159.7 (3)C2—Fe1—C10—C1150.1 (5)
C3—Fe1—C5—C180.8 (4)C9—Fe1—C10—C11121.5 (5)
C8—Fe1—C5—C1174.7 (4)C7—Fe1—C10—C11158.3 (4)
C6—Fe1—C5—C145.7 (6)C4—Fe1—C10—C1165.9 (6)
C2—Fe1—C5—C136.6 (4)C18—N1—C11—C10166.6 (3)
C9—Fe1—C5—C1132.4 (4)C18—N1—C11—C1273.9 (4)
C10—Fe1—C5—C187.3 (4)C9—C10—C11—N133.4 (5)
C4—Fe1—C5—C1120.0 (5)C6—C10—C11—N1150.5 (4)
C1—Fe1—C5—C4120.0 (5)Fe1—C10—C11—N159.4 (5)
C3—Fe1—C5—C439.2 (3)C9—C10—C11—C1287.6 (5)
C8—Fe1—C5—C465.4 (4)C6—C10—C11—C1288.5 (5)
C6—Fe1—C5—C4165.7 (4)Fe1—C10—C11—C12179.6 (3)
C2—Fe1—C5—C483.3 (4)N1—C11—C12—C1325.4 (6)
C9—Fe1—C5—C4107.6 (4)C10—C11—C12—C1394.2 (5)
C10—Fe1—C5—C4152.8 (3)N1—C11—C12—C17159.7 (4)
C1—Fe1—C6—C7150.1 (3)C10—C11—C12—C1780.8 (5)
C3—Fe1—C6—C770.2 (4)C17—C12—C13—C141.5 (7)
C8—Fe1—C6—C736.8 (3)C11—C12—C13—C14176.3 (4)
C5—Fe1—C6—C7179.6 (4)C12—C13—C14—C152.8 (8)
C2—Fe1—C6—C7110.3 (3)C13—C14—C15—C162.2 (9)
C9—Fe1—C6—C780.4 (3)C14—C15—C16—C170.3 (9)
C10—Fe1—C6—C7118.3 (4)C15—C16—C17—C121.0 (8)
C4—Fe1—C6—C748.4 (11)C13—C12—C17—C160.4 (7)
C1—Fe1—C6—C1091.5 (3)C11—C12—C17—C16174.8 (4)
C3—Fe1—C6—C10171.4 (3)C11—N1—C18—C1997.4 (4)
C8—Fe1—C6—C1081.5 (3)C11—N1—C18—C20137.9 (3)
C5—Fe1—C6—C1062.1 (5)N1—C18—C20—C2118.7 (6)
C2—Fe1—C6—C10131.4 (3)C19—C18—C20—C21105.8 (5)
C9—Fe1—C6—C1038.0 (2)N1—C18—C20—C25165.1 (4)
C7—Fe1—C6—C10118.3 (4)C19—C18—C20—C2570.4 (5)
C4—Fe1—C6—C10166.8 (10)C25—C20—C21—C223.3 (7)
C10—C6—C7—C81.6 (5)C18—C20—C21—C22179.6 (4)
Fe1—C6—C7—C858.5 (3)C20—C21—C22—C231.4 (8)
C10—C6—C7—Fe160.1 (3)C21—C22—C23—C240.4 (8)
C1—Fe1—C7—C8176.8 (4)C22—C23—C24—C250.2 (8)
C3—Fe1—C7—C8110.6 (3)C23—C24—C25—C201.7 (8)
C6—Fe1—C7—C8119.9 (4)C21—C20—C25—C243.5 (7)
C2—Fe1—C7—C8152.6 (3)C18—C20—C25—C24179.9 (4)
C9—Fe1—C7—C837.5 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C7—H7A···Cg2i0.983.203.895 (5)129
C7—H7A···Cg3i0.983.003.749 (5)134
C15—H15A···Cg1ii0.932.853.744 (7)161
Symmetry codes: (i) x1, y+1/2, z+5/2; (ii) x+1, y1, z.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds