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A monoclinic modification of chlorido­mercurioferrocene, [FeHgCl(C5H4)(C5H5)], was found on its crystallization from acetonitrile. A triclinic form of the title compound [Sunkel & Kiessling (2001). J. Organomet. Chem. 637, 796-799] was crystallized from chloro­form. Both forms have two molecules per asymmetric unit. In the monoclinic form, both mol­ecules have an eclipsed conformation, while in the triclinic form one of them has an eclipsed and the other a staggered conformation. In the monoclinic crystals, mol­ecules form infinite ribbons due to inter­molecular secondary coordination between Hg and Cl atoms, while in the triclinic form mol­ecules are arranged in tetra­mers.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807016169/at2253sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807016169/at2253Isup2.hkl
Contains datablock I

CCDC reference: 646703

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.018 Å
  • R factor = 0.047
  • wR factor = 0.108
  • Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C7A PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 18 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 16
Alert level G ABSTM02_ALERT_3_G The ratio of expected to reported Tmax/Tmin(RR) is > 2.00 Tmin and Tmax reported: 0.035 0.630 Tmin and Tmax expected: 0.000 0.601 RR = 105.357 Please check that your absorption correction is appropriate.
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 3 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: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL-NT (Sheldrick, 2001); program(s) used to refine structure: SHELXTL-NT; molecular graphics: SHELXTL-NT; software used to prepare material for publication: SHELXTL-NT.

1-(chloridomercurio)ferrocene top
Crystal data top
[FeHgCl(C5H4)(C5H5)]F(000) = 1536
Mr = 421.06Dx = 2.792 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 5313 reflections
a = 24.618 (11) Åθ = 2.9–30.6°
b = 5.997 (3) ŵ = 16.97 mm1
c = 14.136 (7) ÅT = 100 K
β = 106.288 (6)°Plate, orange
V = 2003.2 (16) Å30.60 × 0.50 × 0.03 mm
Z = 8
Data collection top
Bruker SMART APEXII CCD area-detector
diffractometer
4251 independent reflections
Radiation source: fine-focus sealed tube3739 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.056
φ and ω scansθmax = 27.0°, θmin = 3.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
h = 3131
Tmin = 0.035, Tmax = 0.630k = 77
21721 measured reflectionsl = 1818
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)] = 0.047Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.108H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.01P)2 + 4P]
where P = (Fo2 + 2Fc2)/3
4251 reflections(Δ/σ)max = 0.001
235 parametersΔρmax = 1.86 e Å3
0 restraintsΔρmin = 1.16 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
Hg1A0.060744 (17)0.48445 (7)0.26780 (3)0.04197 (13)
Hg1B0.489733 (18)0.69185 (7)0.64542 (3)0.04753 (14)
Cl1A0.02395 (12)0.4903 (4)0.3126 (2)0.0474 (6)
Cl1B0.54847 (13)0.7119 (5)0.8071 (2)0.0556 (7)
Fe1A0.14441 (6)0.4464 (3)0.09187 (10)0.0430 (3)
Fe1B0.35517 (7)0.7474 (3)0.45616 (11)0.0462 (4)
C1A0.1342 (5)0.5051 (19)0.2287 (8)0.047 (2)
C2A0.1757 (5)0.327 (2)0.2334 (7)0.049 (3)
H2AA0.17320.17010.25580.059*
C3A0.2194 (5)0.419 (2)0.1980 (8)0.054 (3)
H3AA0.25330.33530.19090.065*
C4A0.2074 (5)0.647 (2)0.1733 (8)0.054 (3)
H4AA0.23120.75170.14670.064*
C5A0.1555 (5)0.701 (2)0.1935 (8)0.052 (3)
H5AA0.13610.84920.18200.062*
C6A0.0701 (5)0.330 (2)0.0006 (8)0.055 (3)
H6AA0.03550.29140.02090.066*
C7A0.1153 (7)0.181 (2)0.0008 (8)0.072 (4)
H7AA0.11780.02040.02070.086*
C8A0.1559 (6)0.301 (2)0.0316 (8)0.060 (3)
H8AA0.19230.24000.03890.072*
C9A0.1357 (5)0.523 (2)0.0532 (8)0.056 (3)
H9AA0.15540.64590.07800.068*
C10A0.0820 (5)0.538 (2)0.0334 (8)0.053 (3)
H10A0.05760.67400.04110.064*
C1B0.4392 (4)0.6817 (19)0.5013 (8)0.045 (2)
C2B0.4100 (4)0.4923 (19)0.4539 (9)0.048 (2)
H2BA0.40980.34170.48420.058*
C3B0.3799 (5)0.554 (2)0.3554 (8)0.055 (3)
H3BA0.35510.45470.30420.066*
C4B0.3927 (6)0.782 (3)0.3438 (9)0.063 (3)
H4BA0.37730.87270.28270.076*
C5B0.4295 (5)0.863 (2)0.4338 (8)0.051 (3)
H5BA0.44531.01760.44700.061*
C6B0.3299 (5)0.860 (2)0.5742 (10)0.060 (3)
H6BA0.35540.89800.64080.072*
C7B0.3055 (5)0.646 (2)0.5436 (9)0.060 (3)
H7BA0.31040.50750.58460.072*
C8B0.2719 (5)0.670 (2)0.4422 (10)0.062 (3)
H8BA0.25000.54800.40020.075*
C9B0.2759 (5)0.892 (3)0.4114 (10)0.065 (3)
H9BA0.25720.95490.34460.077*
C10B0.3119 (7)1.011 (2)0.4929 (11)0.068 (4)
H10C0.32271.17190.49290.082*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Hg1A0.0449 (2)0.0419 (2)0.0415 (2)0.00141 (16)0.01607 (17)0.00125 (15)
Hg1B0.0459 (2)0.0470 (2)0.0500 (2)0.00122 (17)0.01383 (18)0.00050 (17)
Cl1A0.0491 (15)0.0458 (14)0.0526 (14)0.0004 (11)0.0227 (12)0.0005 (11)
Cl1B0.0557 (17)0.0537 (16)0.0550 (15)0.0062 (13)0.0112 (13)0.0041 (12)
Fe1A0.0425 (8)0.0489 (8)0.0387 (7)0.0032 (6)0.0132 (6)0.0027 (6)
Fe1B0.0421 (8)0.0516 (9)0.0466 (8)0.0005 (7)0.0150 (7)0.0055 (7)
C1A0.043 (6)0.059 (7)0.045 (5)0.001 (5)0.024 (5)0.000 (5)
C2A0.054 (7)0.055 (6)0.036 (5)0.001 (5)0.010 (5)0.007 (5)
C3A0.034 (5)0.077 (8)0.049 (6)0.002 (5)0.008 (5)0.005 (6)
C4A0.049 (6)0.065 (7)0.052 (6)0.017 (6)0.023 (5)0.011 (5)
C5A0.060 (7)0.047 (6)0.049 (6)0.010 (5)0.016 (5)0.011 (5)
C6A0.039 (6)0.080 (9)0.042 (5)0.016 (6)0.004 (5)0.003 (6)
C7A0.118 (13)0.054 (7)0.035 (6)0.004 (8)0.008 (7)0.002 (5)
C8A0.062 (8)0.078 (9)0.038 (5)0.011 (7)0.013 (5)0.007 (6)
C9A0.051 (7)0.072 (8)0.048 (6)0.003 (6)0.017 (5)0.009 (6)
C10A0.043 (6)0.066 (7)0.049 (6)0.002 (5)0.011 (5)0.001 (5)
C1B0.036 (5)0.052 (6)0.053 (6)0.001 (5)0.019 (5)0.001 (5)
C2B0.032 (5)0.053 (6)0.061 (6)0.004 (4)0.015 (5)0.004 (5)
C3B0.062 (7)0.058 (7)0.048 (6)0.006 (6)0.019 (5)0.008 (5)
C4B0.065 (8)0.087 (10)0.045 (6)0.007 (7)0.028 (6)0.008 (6)
C5B0.046 (6)0.053 (6)0.056 (6)0.001 (5)0.018 (5)0.002 (5)
C6B0.051 (7)0.073 (8)0.061 (7)0.007 (6)0.023 (6)0.019 (6)
C7B0.055 (7)0.071 (8)0.062 (7)0.006 (6)0.030 (6)0.005 (6)
C8B0.050 (7)0.067 (8)0.074 (8)0.010 (6)0.025 (6)0.022 (7)
C9B0.043 (6)0.083 (9)0.069 (8)0.014 (6)0.016 (6)0.011 (7)
C10B0.080 (10)0.051 (7)0.086 (10)0.003 (6)0.042 (8)0.016 (7)
Geometric parameters (Å, º) top
Hg1A—C1A2.038 (10)C4A—H4AA1.0000
Hg1A—Cl1A2.343 (3)C5A—H5AA1.0000
Hg1B—C1B2.068 (11)C6A—C10A1.397 (18)
Hg1B—Cl1B2.340 (3)C6A—C7A1.43 (2)
Fe1A—C3A2.033 (11)C6A—H6AA1.0000
Fe1A—C8A2.041 (11)C7A—C8A1.41 (2)
Fe1A—C6A2.043 (11)C7A—H7AA1.0000
Fe1A—C4A2.045 (11)C8A—C9A1.426 (18)
Fe1A—C7A2.046 (13)C8A—H8AA1.0000
Fe1A—C1A2.049 (10)C9A—C10A1.428 (16)
Fe1A—C9A2.053 (11)C9A—H9AA1.0000
Fe1A—C2A2.060 (11)C10A—H10A1.0000
Fe1A—C5A2.061 (11)C1B—C2B1.410 (15)
Fe1A—C10A2.067 (12)C1B—C5B1.424 (16)
Fe1B—C1B2.026 (11)C2B—C3B1.430 (17)
Fe1B—C2B2.046 (11)C2B—H2BA1.0000
Fe1B—C6B2.053 (12)C3B—C4B1.427 (19)
Fe1B—C10B2.054 (13)C3B—H3BA1.0000
Fe1B—C8B2.057 (13)C4B—C5B1.424 (18)
Fe1B—C3B2.058 (11)C4B—H4BA1.0000
Fe1B—C4B2.059 (11)C5B—H5BA1.0000
Fe1B—C7B2.059 (12)C6B—C10B1.43 (2)
Fe1B—C5B2.062 (11)C6B—C7B1.434 (19)
Fe1B—C9B2.068 (13)C6B—H6BA1.0000
C1A—C5A1.431 (15)C7B—C8B1.447 (19)
C1A—C2A1.467 (16)C7B—H7BA1.0000
C2A—C3A1.419 (16)C8B—C9B1.42 (2)
C2A—H2AA1.0000C8B—H8BA1.0000
C3A—C4A1.427 (18)C9B—C10B1.43 (2)
C3A—H3AA1.0000C9B—H9BA1.0000
C4A—C5A1.422 (16)C10B—H10C1.0000
C1A—Hg1A—Cl1A175.7 (3)C4A—C3A—Fe1A70.0 (7)
C1B—Hg1B—Cl1B178.3 (3)C2A—C3A—H3AA125.3
C3A—Fe1A—C8A106.3 (5)C4A—C3A—H3AA125.3
C3A—Fe1A—C6A154.8 (6)Fe1A—C3A—H3AA125.3
C8A—Fe1A—C6A68.2 (5)C5A—C4A—C3A107.7 (10)
C3A—Fe1A—C4A41.0 (5)C5A—C4A—Fe1A70.3 (6)
C8A—Fe1A—C4A118.0 (5)C3A—C4A—Fe1A69.1 (6)
C6A—Fe1A—C4A163.8 (6)C5A—C4A—H4AA126.1
C3A—Fe1A—C7A119.0 (6)C3A—C4A—H4AA126.1
C8A—Fe1A—C7A40.3 (6)Fe1A—C4A—H4AA126.1
C6A—Fe1A—C7A40.8 (6)C4A—C5A—C1A108.8 (11)
C4A—Fe1A—C7A152.8 (6)C4A—C5A—Fe1A69.1 (6)
C3A—Fe1A—C1A69.2 (4)C1A—C5A—Fe1A69.2 (6)
C8A—Fe1A—C1A164.5 (5)C4A—C5A—H5AA125.6
C6A—Fe1A—C1A109.3 (5)C1A—C5A—H5AA125.6
C4A—Fe1A—C1A69.0 (4)Fe1A—C5A—H5AA125.6
C7A—Fe1A—C1A127.8 (5)C10A—C6A—C7A108.8 (11)
C3A—Fe1A—C9A125.1 (5)C10A—C6A—Fe1A71.0 (7)
C8A—Fe1A—C9A40.8 (5)C7A—C6A—Fe1A69.7 (7)
C6A—Fe1A—C9A67.7 (5)C10A—C6A—H6AA125.6
C4A—Fe1A—C9A106.3 (5)C7A—C6A—H6AA125.6
C7A—Fe1A—C9A68.0 (5)Fe1A—C6A—H6AA125.6
C1A—Fe1A—C9A153.9 (5)C8A—C7A—C6A107.7 (12)
C3A—Fe1A—C2A40.6 (5)C8A—C7A—Fe1A69.7 (8)
C8A—Fe1A—C2A125.3 (5)C6A—C7A—Fe1A69.5 (7)
C6A—Fe1A—C2A121.3 (5)C8A—C7A—H7AA126.1
C4A—Fe1A—C2A68.9 (5)C6A—C7A—H7AA126.1
C7A—Fe1A—C2A108.0 (5)Fe1A—C7A—H7AA126.1
C1A—Fe1A—C2A41.8 (4)C7A—C8A—C9A108.0 (12)
C9A—Fe1A—C2A162.5 (5)C7A—C8A—Fe1A70.0 (7)
C3A—Fe1A—C5A68.4 (5)C9A—C8A—Fe1A70.1 (7)
C8A—Fe1A—C5A152.9 (5)C7A—C8A—H8AA126.0
C6A—Fe1A—C5A127.8 (5)C9A—C8A—H8AA126.0
C4A—Fe1A—C5A40.5 (5)Fe1A—C8A—H8AA126.0
C7A—Fe1A—C5A165.7 (6)C8A—C9A—C10A107.7 (11)
C1A—Fe1A—C5A40.7 (4)C8A—C9A—Fe1A69.2 (6)
C9A—Fe1A—C5A119.1 (5)C10A—C9A—Fe1A70.2 (6)
C2A—Fe1A—C5A68.9 (5)C8A—C9A—H9AA126.1
C3A—Fe1A—C10A163.1 (5)C10A—C9A—H9AA126.1
C8A—Fe1A—C10A68.3 (5)Fe1A—C9A—H9AA126.1
C6A—Fe1A—C10A39.7 (5)C6A—C10A—C9A107.8 (11)
C4A—Fe1A—C10A126.1 (5)C6A—C10A—Fe1A69.2 (7)
C7A—Fe1A—C10A67.9 (5)C9A—C10A—Fe1A69.2 (7)
C1A—Fe1A—C10A120.3 (5)C6A—C10A—H10A126.1
C9A—Fe1A—C10A40.6 (5)C9A—C10A—H10A126.1
C2A—Fe1A—C10A155.5 (5)Fe1A—C10A—H10A126.1
C5A—Fe1A—C10A108.7 (5)C2B—C1B—C5B109.3 (10)
C1B—Fe1B—C2B40.5 (4)C2B—C1B—Fe1B70.5 (6)
C1B—Fe1B—C6B108.9 (5)C5B—C1B—Fe1B71.0 (6)
C2B—Fe1B—C6B127.7 (5)C2B—C1B—Hg1B125.3 (8)
C1B—Fe1B—C10B128.8 (5)C5B—C1B—Hg1B125.4 (8)
C2B—Fe1B—C10B166.2 (6)Fe1B—C1B—Hg1B125.7 (5)
C6B—Fe1B—C10B40.8 (6)C1B—C2B—C3B108.2 (11)
C1B—Fe1B—C8B152.7 (5)C1B—C2B—Fe1B69.0 (6)
C2B—Fe1B—C8B118.3 (5)C3B—C2B—Fe1B70.1 (6)
C6B—Fe1B—C8B68.3 (5)C1B—C2B—H2BA125.9
C10B—Fe1B—C8B67.9 (6)C3B—C2B—H2BA125.9
C1B—Fe1B—C3B68.5 (5)Fe1B—C2B—H2BA125.9
C2B—Fe1B—C3B40.8 (5)C4B—C3B—C2B106.7 (11)
C6B—Fe1B—C3B164.8 (6)C4B—C3B—Fe1B69.8 (7)
C10B—Fe1B—C3B152.2 (6)C2B—C3B—Fe1B69.2 (6)
C8B—Fe1B—C3B106.7 (5)C4B—C3B—H3BA126.6
C1B—Fe1B—C4B67.9 (5)C2B—C3B—H3BA126.6
C2B—Fe1B—C4B67.9 (5)Fe1B—C3B—H3BA126.6
C6B—Fe1B—C4B153.8 (6)C5B—C4B—C3B109.4 (11)
C10B—Fe1B—C4B119.6 (6)C5B—C4B—Fe1B69.9 (6)
C8B—Fe1B—C4B126.9 (6)C3B—C4B—Fe1B69.7 (6)
C3B—Fe1B—C4B40.5 (5)C5B—C4B—H4BA125.3
C1B—Fe1B—C7B118.6 (5)C3B—C4B—H4BA125.3
C2B—Fe1B—C7B107.1 (5)Fe1B—C4B—H4BA125.3
C6B—Fe1B—C7B40.8 (5)C4B—C5B—C1B106.4 (11)
C10B—Fe1B—C7B68.8 (6)C4B—C5B—Fe1B69.7 (7)
C8B—Fe1B—C7B41.2 (5)C1B—C5B—Fe1B68.2 (6)
C3B—Fe1B—C7B126.1 (5)C4B—C5B—H5BA126.8
C4B—Fe1B—C7B164.4 (6)C1B—C5B—H5BA126.8
C1B—Fe1B—C5B40.8 (4)Fe1B—C5B—H5BA126.8
C2B—Fe1B—C5B68.5 (5)C10B—C6B—C7B108.4 (12)
C6B—Fe1B—C5B119.8 (5)C10B—C6B—Fe1B69.6 (7)
C10B—Fe1B—C5B108.9 (5)C7B—C6B—Fe1B69.8 (7)
C8B—Fe1B—C5B164.7 (5)C10B—C6B—H6BA125.8
C3B—Fe1B—C5B68.7 (5)C7B—C6B—H6BA125.8
C4B—Fe1B—C5B40.4 (5)Fe1B—C6B—H6BA125.8
C7B—Fe1B—C5B153.2 (5)C6B—C7B—C8B106.5 (12)
C1B—Fe1B—C9B166.3 (5)C6B—C7B—Fe1B69.4 (7)
C2B—Fe1B—C9B151.6 (6)C8B—C7B—Fe1B69.3 (7)
C6B—Fe1B—C9B68.5 (6)C6B—C7B—H7BA126.8
C10B—Fe1B—C9B40.6 (6)C8B—C7B—H7BA126.8
C8B—Fe1B—C9B40.1 (6)Fe1B—C7B—H7BA126.8
C3B—Fe1B—C9B117.6 (5)C9B—C8B—C7B109.2 (12)
C4B—Fe1B—C9B108.1 (5)C9B—C8B—Fe1B70.3 (7)
C7B—Fe1B—C9B68.9 (6)C7B—C8B—Fe1B69.5 (7)
C5B—Fe1B—C9B127.8 (5)C9B—C8B—H8BA125.4
C5A—C1A—C2A107.2 (9)C7B—C8B—H8BA125.4
C5A—C1A—Hg1A125.7 (8)Fe1B—C8B—H8BA125.4
C2A—C1A—Hg1A127.1 (8)C8B—C9B—C10B107.6 (12)
C5A—C1A—Fe1A70.1 (6)C8B—C9B—Fe1B69.5 (7)
C2A—C1A—Fe1A69.5 (6)C10B—C9B—Fe1B69.2 (8)
Hg1A—C1A—Fe1A126.8 (6)C8B—C9B—H9BA126.2
C3A—C2A—C1A106.8 (10)C10B—C9B—H9BA126.2
C3A—C2A—Fe1A68.7 (6)Fe1B—C9B—H9BA126.2
C1A—C2A—Fe1A68.7 (6)C9B—C10B—C6B108.3 (12)
C3A—C2A—H2AA126.6C9B—C10B—Fe1B70.2 (7)
C1A—C2A—H2AA126.6C6B—C10B—Fe1B69.6 (7)
Fe1A—C2A—H2AA126.6C9B—C10B—H10C125.8
C2A—C3A—C4A109.4 (10)C6B—C10B—H10C125.8
C2A—C3A—Fe1A70.7 (6)Fe1B—C10B—H10C125.8
C3A—Fe1A—C1A—C5A80.7 (8)C1A—Fe1A—C10A—C9A156.5 (7)
C8A—Fe1A—C1A—C5A156.3 (18)C2A—Fe1A—C10A—C9A166.6 (11)
C6A—Fe1A—C1A—C5A126.1 (8)C5A—Fe1A—C10A—C9A113.2 (8)
C4A—Fe1A—C1A—C5A36.7 (7)C6B—Fe1B—C1B—C2B126.5 (7)
C7A—Fe1A—C1A—C5A168.1 (8)C10B—Fe1B—C1B—C2B167.7 (8)
C9A—Fe1A—C1A—C5A47.6 (14)C8B—Fe1B—C1B—C2B47.3 (13)
C2A—Fe1A—C1A—C5A118.1 (10)C3B—Fe1B—C1B—C2B37.6 (7)
C10A—Fe1A—C1A—C5A83.8 (8)C4B—Fe1B—C1B—C2B81.4 (8)
C3A—Fe1A—C1A—C2A37.5 (7)C7B—Fe1B—C1B—C2B82.9 (8)
C6A—Fe1A—C1A—C2A115.7 (7)C5B—Fe1B—C1B—C2B119.5 (9)
C4A—Fe1A—C1A—C2A81.5 (7)C9B—Fe1B—C1B—C2B157 (2)
C7A—Fe1A—C1A—C2A73.7 (9)C2B—Fe1B—C1B—C5B119.5 (9)
C9A—Fe1A—C1A—C2A165.8 (10)C6B—Fe1B—C1B—C5B114.1 (7)
C5A—Fe1A—C1A—C2A118.1 (10)C10B—Fe1B—C1B—C5B72.8 (9)
C10A—Fe1A—C1A—C2A158.0 (7)C8B—Fe1B—C1B—C5B166.7 (10)
C3A—Fe1A—C1A—Hg1A159.1 (9)C3B—Fe1B—C1B—C5B81.9 (7)
C6A—Fe1A—C1A—Hg1A5.9 (9)C4B—Fe1B—C1B—C5B38.1 (7)
C4A—Fe1A—C1A—Hg1A156.9 (9)C7B—Fe1B—C1B—C5B157.6 (7)
C7A—Fe1A—C1A—Hg1A47.9 (10)C9B—Fe1B—C1B—C5B37 (2)
C9A—Fe1A—C1A—Hg1A72.6 (13)C2B—Fe1B—C1B—Hg1B120.1 (10)
C2A—Fe1A—C1A—Hg1A121.6 (10)C6B—Fe1B—C1B—Hg1B6.4 (8)
C5A—Fe1A—C1A—Hg1A120.2 (10)C10B—Fe1B—C1B—Hg1B47.7 (10)
C10A—Fe1A—C1A—Hg1A36.4 (9)C8B—Fe1B—C1B—Hg1B72.8 (13)
C5A—C1A—C2A—C3A1.9 (12)C3B—Fe1B—C1B—Hg1B157.6 (8)
Hg1A—C1A—C2A—C3A179.5 (8)C4B—Fe1B—C1B—Hg1B158.6 (9)
Fe1A—C1A—C2A—C3A58.3 (7)C7B—Fe1B—C1B—Hg1B37.2 (9)
C5A—C1A—C2A—Fe1A60.2 (7)C5B—Fe1B—C1B—Hg1B120.5 (10)
Hg1A—C1A—C2A—Fe1A121.2 (9)C9B—Fe1B—C1B—Hg1B83 (2)
C8A—Fe1A—C2A—C3A72.7 (9)C5B—C1B—C2B—C3B1.4 (12)
C6A—Fe1A—C2A—C3A156.7 (8)Fe1B—C1B—C2B—C3B59.3 (8)
C4A—Fe1A—C2A—C3A37.4 (7)Hg1B—C1B—C2B—C3B179.8 (7)
C7A—Fe1A—C2A—C3A113.8 (8)C5B—C1B—C2B—Fe1B60.7 (8)
C1A—Fe1A—C2A—C3A119.0 (10)Hg1B—C1B—C2B—Fe1B120.5 (7)
C9A—Fe1A—C2A—C3A39.9 (19)C6B—Fe1B—C2B—C1B74.1 (8)
C5A—Fe1A—C2A—C3A81.0 (8)C10B—Fe1B—C2B—C1B44 (2)
C10A—Fe1A—C2A—C3A170.1 (11)C8B—Fe1B—C2B—C1B157.5 (7)
C3A—Fe1A—C2A—C1A119.0 (10)C3B—Fe1B—C2B—C1B119.7 (10)
C8A—Fe1A—C2A—C1A168.3 (7)C4B—Fe1B—C2B—C1B81.4 (7)
C6A—Fe1A—C2A—C1A84.3 (8)C7B—Fe1B—C2B—C1B114.3 (7)
C4A—Fe1A—C2A—C1A81.6 (7)C5B—Fe1B—C2B—C1B37.7 (6)
C7A—Fe1A—C2A—C1A127.1 (8)C9B—Fe1B—C2B—C1B168.7 (10)
C9A—Fe1A—C2A—C1A159.0 (15)C1B—Fe1B—C2B—C3B119.7 (10)
C5A—Fe1A—C2A—C1A38.1 (7)C6B—Fe1B—C2B—C3B166.2 (8)
C10A—Fe1A—C2A—C1A51.1 (14)C8B—Fe1B—C2B—C3B82.8 (8)
C1A—C2A—C3A—C4A1.1 (12)C4B—Fe1B—C2B—C3B38.3 (8)
Fe1A—C2A—C3A—C4A59.5 (8)C7B—Fe1B—C2B—C3B126.0 (8)
C1A—C2A—C3A—Fe1A58.3 (7)C5B—Fe1B—C2B—C3B82.0 (8)
C8A—Fe1A—C3A—C2A125.7 (7)C9B—Fe1B—C2B—C3B49.0 (14)
C6A—Fe1A—C3A—C2A52.5 (14)C1B—C2B—C3B—C4B1.3 (12)
C4A—Fe1A—C3A—C2A120.2 (10)Fe1B—C2B—C3B—C4B59.9 (8)
C7A—Fe1A—C3A—C2A84.0 (8)C1B—C2B—C3B—Fe1B58.6 (7)
C1A—Fe1A—C3A—C2A38.6 (7)C1B—Fe1B—C3B—C4B80.6 (8)
C9A—Fe1A—C3A—C2A166.4 (7)C2B—Fe1B—C3B—C4B117.9 (11)
C5A—Fe1A—C3A—C2A82.4 (7)C6B—Fe1B—C3B—C4B163.8 (18)
C10A—Fe1A—C3A—C2A165.8 (15)C10B—Fe1B—C3B—C4B53.8 (15)
C8A—Fe1A—C3A—C4A114.1 (7)C8B—Fe1B—C3B—C4B127.8 (8)
C6A—Fe1A—C3A—C4A172.7 (10)C7B—Fe1B—C3B—C4B168.9 (8)
C7A—Fe1A—C3A—C4A155.8 (7)C5B—Fe1B—C3B—C4B36.7 (8)
C1A—Fe1A—C3A—C4A81.6 (7)C9B—Fe1B—C3B—C4B85.9 (9)
C9A—Fe1A—C3A—C4A73.5 (8)C1B—Fe1B—C3B—C2B37.3 (7)
C2A—Fe1A—C3A—C4A120.2 (10)C10B—Fe1B—C3B—C2B171.7 (11)
C5A—Fe1A—C3A—C4A37.7 (6)C8B—Fe1B—C3B—C2B114.2 (8)
C10A—Fe1A—C3A—C4A45.6 (19)C4B—Fe1B—C3B—C2B117.9 (11)
C2A—C3A—C4A—C5A0.1 (13)C7B—Fe1B—C3B—C2B73.2 (9)
Fe1A—C3A—C4A—C5A60.0 (8)C5B—Fe1B—C3B—C2B81.2 (7)
C2A—C3A—C4A—Fe1A59.9 (8)C9B—Fe1B—C3B—C2B156.1 (7)
C3A—Fe1A—C4A—C5A118.9 (10)C2B—C3B—C4B—C5B0.8 (13)
C8A—Fe1A—C4A—C5A158.4 (7)Fe1B—C3B—C4B—C5B58.7 (8)
C6A—Fe1A—C4A—C5A50.0 (18)C2B—C3B—C4B—Fe1B59.5 (8)
C7A—Fe1A—C4A—C5A170.5 (10)C1B—Fe1B—C4B—C5B38.4 (7)
C1A—Fe1A—C4A—C5A36.9 (7)C2B—Fe1B—C4B—C5B82.3 (8)
C9A—Fe1A—C4A—C5A116.0 (7)C6B—Fe1B—C4B—C5B49.7 (16)
C2A—Fe1A—C4A—C5A81.8 (7)C10B—Fe1B—C4B—C5B84.8 (9)
C10A—Fe1A—C4A—C5A76.0 (8)C8B—Fe1B—C4B—C5B168.2 (7)
C8A—Fe1A—C4A—C3A82.7 (8)C3B—Fe1B—C4B—C5B120.8 (11)
C6A—Fe1A—C4A—C3A168.9 (14)C7B—Fe1B—C4B—C5B156.2 (19)
C7A—Fe1A—C4A—C3A51.6 (13)C9B—Fe1B—C4B—C5B127.6 (8)
C1A—Fe1A—C4A—C3A82.0 (7)C1B—Fe1B—C4B—C3B82.4 (8)
C9A—Fe1A—C4A—C3A125.1 (7)C2B—Fe1B—C4B—C3B38.5 (7)
C2A—Fe1A—C4A—C3A37.0 (6)C6B—Fe1B—C4B—C3B170.5 (11)
C5A—Fe1A—C4A—C3A118.9 (10)C10B—Fe1B—C4B—C3B154.4 (8)
C10A—Fe1A—C4A—C3A165.1 (6)C8B—Fe1B—C4B—C3B71.0 (10)
C3A—C4A—C5A—C1A1.3 (13)C7B—Fe1B—C4B—C3B35 (2)
Fe1A—C4A—C5A—C1A57.9 (8)C5B—Fe1B—C4B—C3B120.8 (11)
C3A—C4A—C5A—Fe1A59.2 (8)C9B—Fe1B—C4B—C3B111.5 (8)
C2A—C1A—C5A—C4A1.9 (12)C3B—C4B—C5B—C1B0.0 (13)
Hg1A—C1A—C5A—C4A179.4 (8)Fe1B—C4B—C5B—C1B58.6 (7)
Fe1A—C1A—C5A—C4A57.9 (8)C3B—C4B—C5B—Fe1B58.6 (8)
C2A—C1A—C5A—Fe1A59.8 (7)C2B—C1B—C5B—C4B0.9 (12)
Hg1A—C1A—C5A—Fe1A121.6 (9)Fe1B—C1B—C5B—C4B59.5 (8)
C3A—Fe1A—C5A—C4A38.1 (7)Hg1B—C1B—C5B—C4B179.7 (8)
C8A—Fe1A—C5A—C4A45.5 (14)C2B—C1B—C5B—Fe1B60.4 (7)
C6A—Fe1A—C5A—C4A164.3 (7)Hg1B—C1B—C5B—Fe1B120.8 (8)
C7A—Fe1A—C5A—C4A162 (2)C1B—Fe1B—C5B—C4B118.2 (10)
C1A—Fe1A—C5A—C4A120.9 (10)C2B—Fe1B—C5B—C4B80.7 (8)
C9A—Fe1A—C5A—C4A81.0 (8)C6B—Fe1B—C5B—C4B157.2 (8)
C2A—Fe1A—C5A—C4A81.8 (8)C10B—Fe1B—C5B—C4B113.7 (9)
C10A—Fe1A—C5A—C4A124.2 (7)C3B—Fe1B—C5B—C4B36.8 (8)
C3A—Fe1A—C5A—C1A82.7 (7)C7B—Fe1B—C5B—C4B166.1 (11)
C8A—Fe1A—C5A—C1A166.3 (10)C9B—Fe1B—C5B—C4B72.3 (10)
C6A—Fe1A—C5A—C1A74.8 (9)C2B—Fe1B—C5B—C1B37.4 (7)
C4A—Fe1A—C5A—C1A120.9 (10)C6B—Fe1B—C5B—C1B84.7 (8)
C7A—Fe1A—C5A—C1A41 (2)C10B—Fe1B—C5B—C1B128.1 (8)
C9A—Fe1A—C5A—C1A158.1 (7)C8B—Fe1B—C5B—C1B156.6 (17)
C2A—Fe1A—C5A—C1A39.1 (7)C3B—Fe1B—C5B—C1B81.4 (7)
C10A—Fe1A—C5A—C1A115.0 (7)C4B—Fe1B—C5B—C1B118.2 (10)
C3A—Fe1A—C6A—C10A163.7 (10)C7B—Fe1B—C5B—C1B47.9 (14)
C8A—Fe1A—C6A—C10A81.8 (8)C9B—Fe1B—C5B—C1B169.5 (7)
C4A—Fe1A—C6A—C10A33.7 (19)C1B—Fe1B—C6B—C10B128.1 (8)
C7A—Fe1A—C6A—C10A119.3 (10)C2B—Fe1B—C6B—C10B169.4 (8)
C1A—Fe1A—C6A—C10A114.5 (7)C8B—Fe1B—C6B—C10B80.9 (9)
C9A—Fe1A—C6A—C10A37.7 (7)C3B—Fe1B—C6B—C10B154.2 (19)
C2A—Fe1A—C6A—C10A159.2 (7)C4B—Fe1B—C6B—C10B50.0 (16)
C5A—Fe1A—C6A—C10A72.7 (8)C7B—Fe1B—C6B—C10B119.7 (11)
C3A—Fe1A—C6A—C7A44.3 (14)C5B—Fe1B—C6B—C10B84.7 (9)
C8A—Fe1A—C6A—C7A37.5 (7)C9B—Fe1B—C6B—C10B37.6 (8)
C4A—Fe1A—C6A—C7A153.0 (15)C1B—Fe1B—C6B—C7B112.2 (8)
C1A—Fe1A—C6A—C7A126.1 (7)C2B—Fe1B—C6B—C7B70.9 (9)
C9A—Fe1A—C6A—C7A81.6 (8)C10B—Fe1B—C6B—C7B119.7 (11)
C2A—Fe1A—C6A—C7A81.5 (8)C8B—Fe1B—C6B—C7B38.8 (8)
C5A—Fe1A—C6A—C7A168.0 (7)C4B—Fe1B—C6B—C7B169.6 (11)
C10A—Fe1A—C6A—C7A119.3 (10)C5B—Fe1B—C6B—C7B155.6 (8)
C10A—C6A—C7A—C8A1.1 (13)C9B—Fe1B—C6B—C7B82.1 (9)
Fe1A—C6A—C7A—C8A59.4 (9)C10B—C6B—C7B—C8B0.6 (13)
C10A—C6A—C7A—Fe1A60.5 (8)Fe1B—C6B—C7B—C8B59.7 (8)
C3A—Fe1A—C7A—C8A80.9 (9)C10B—C6B—C7B—Fe1B59.1 (9)
C6A—Fe1A—C7A—C8A119.0 (11)C1B—Fe1B—C7B—C6B86.2 (9)
C4A—Fe1A—C7A—C8A44.9 (14)C2B—Fe1B—C7B—C6B128.6 (8)
C1A—Fe1A—C7A—C8A166.0 (7)C10B—Fe1B—C7B—C6B37.5 (8)
C9A—Fe1A—C7A—C8A38.1 (8)C8B—Fe1B—C7B—C6B117.8 (12)
C2A—Fe1A—C7A—C8A123.7 (8)C3B—Fe1B—C7B—C6B169.4 (8)
C5A—Fe1A—C7A—C8A160.9 (19)C4B—Fe1B—C7B—C6B162.8 (19)
C10A—Fe1A—C7A—C8A82.0 (8)C5B—Fe1B—C7B—C6B52.7 (15)
C3A—Fe1A—C7A—C6A160.1 (7)C9B—Fe1B—C7B—C6B81.2 (9)
C8A—Fe1A—C7A—C6A119.0 (11)C1B—Fe1B—C7B—C8B156.1 (7)
C4A—Fe1A—C7A—C6A163.9 (10)C2B—Fe1B—C7B—C8B113.7 (8)
C1A—Fe1A—C7A—C6A74.9 (9)C6B—Fe1B—C7B—C8B117.8 (12)
C9A—Fe1A—C7A—C6A80.9 (8)C10B—Fe1B—C7B—C8B80.3 (9)
C2A—Fe1A—C7A—C6A117.2 (7)C3B—Fe1B—C7B—C8B72.8 (10)
C5A—Fe1A—C7A—C6A42 (2)C5B—Fe1B—C7B—C8B170.4 (10)
C10A—Fe1A—C7A—C6A37.0 (7)C9B—Fe1B—C7B—C8B36.6 (8)
C6A—C7A—C8A—C9A0.7 (13)C6B—C7B—C8B—C9B0.4 (14)
Fe1A—C7A—C8A—C9A60.0 (8)Fe1B—C7B—C8B—C9B59.3 (9)
C6A—C7A—C8A—Fe1A59.3 (8)C6B—C7B—C8B—Fe1B59.7 (8)
C3A—Fe1A—C8A—C7A115.9 (9)C1B—Fe1B—C8B—C9B171.4 (10)
C6A—Fe1A—C8A—C7A38.0 (8)C2B—Fe1B—C8B—C9B155.8 (8)
C4A—Fe1A—C8A—C7A158.6 (8)C6B—Fe1B—C8B—C9B82.0 (9)
C1A—Fe1A—C8A—C7A45 (2)C10B—Fe1B—C8B—C9B37.8 (8)
C9A—Fe1A—C8A—C7A118.8 (11)C3B—Fe1B—C8B—C9B113.3 (8)
C2A—Fe1A—C8A—C7A75.6 (10)C4B—Fe1B—C8B—C9B73.3 (10)
C5A—Fe1A—C8A—C7A169.8 (11)C7B—Fe1B—C8B—C9B120.4 (11)
C10A—Fe1A—C8A—C7A81.0 (9)C1B—Fe1B—C8B—C7B51.0 (13)
C3A—Fe1A—C8A—C9A125.3 (8)C2B—Fe1B—C8B—C7B83.8 (9)
C6A—Fe1A—C8A—C9A80.8 (8)C6B—Fe1B—C8B—C7B38.5 (8)
C4A—Fe1A—C8A—C9A82.6 (8)C10B—Fe1B—C8B—C7B82.6 (9)
C7A—Fe1A—C8A—C9A118.8 (11)C3B—Fe1B—C8B—C7B126.3 (8)
C1A—Fe1A—C8A—C9A164.1 (16)C4B—Fe1B—C8B—C7B166.2 (8)
C2A—Fe1A—C8A—C9A165.6 (7)C5B—Fe1B—C8B—C7B163.6 (17)
C5A—Fe1A—C8A—C9A51.0 (14)C9B—Fe1B—C8B—C7B120.4 (11)
C10A—Fe1A—C8A—C9A37.8 (7)C7B—C8B—C9B—C10B0.1 (14)
C7A—C8A—C9A—C10A0.1 (13)Fe1B—C8B—C9B—C10B58.9 (9)
Fe1A—C8A—C9A—C10A59.9 (8)C7B—C8B—C9B—Fe1B58.8 (9)
C7A—C8A—C9A—Fe1A60.0 (8)C1B—Fe1B—C9B—C8B163.2 (18)
C3A—Fe1A—C9A—C8A73.2 (9)C2B—Fe1B—C9B—C8B49.4 (14)
C6A—Fe1A—C9A—C8A81.9 (8)C6B—Fe1B—C9B—C8B81.4 (8)
C4A—Fe1A—C9A—C8A114.1 (8)C10B—Fe1B—C9B—C8B119.2 (11)
C7A—Fe1A—C9A—C8A37.7 (9)C3B—Fe1B—C9B—C8B83.2 (9)
C1A—Fe1A—C9A—C8A170.4 (10)C4B—Fe1B—C9B—C8B126.2 (8)
C2A—Fe1A—C9A—C8A43 (2)C7B—Fe1B—C9B—C8B37.5 (8)
C5A—Fe1A—C9A—C8A156.1 (8)C5B—Fe1B—C9B—C8B166.8 (7)
C10A—Fe1A—C9A—C8A118.8 (11)C2B—Fe1B—C9B—C10B168.6 (10)
C3A—Fe1A—C9A—C10A168.0 (8)C6B—Fe1B—C9B—C10B37.7 (8)
C8A—Fe1A—C9A—C10A118.8 (11)C8B—Fe1B—C9B—C10B119.2 (11)
C6A—Fe1A—C9A—C10A36.9 (8)C3B—Fe1B—C9B—C10B157.6 (8)
C4A—Fe1A—C9A—C10A127.1 (8)C4B—Fe1B—C9B—C10B114.6 (9)
C7A—Fe1A—C9A—C10A81.2 (9)C7B—Fe1B—C9B—C10B81.7 (9)
C1A—Fe1A—C9A—C10A51.6 (14)C5B—Fe1B—C9B—C10B74.1 (10)
C2A—Fe1A—C9A—C10A161.4 (15)C8B—C9B—C10B—C6B0.2 (14)
C5A—Fe1A—C9A—C10A85.1 (8)Fe1B—C9B—C10B—C6B59.4 (9)
C7A—C6A—C10A—C9A1.1 (13)C8B—C9B—C10B—Fe1B59.1 (9)
Fe1A—C6A—C10A—C9A58.6 (8)C7B—C6B—C10B—C9B0.5 (14)
C7A—C6A—C10A—Fe1A59.7 (8)Fe1B—C6B—C10B—C9B59.8 (9)
C8A—C9A—C10A—C6A0.6 (13)C7B—C6B—C10B—Fe1B59.2 (8)
Fe1A—C9A—C10A—C6A58.6 (8)C1B—Fe1B—C10B—C9B167.8 (7)
C8A—C9A—C10A—Fe1A59.3 (8)C2B—Fe1B—C10B—C9B157 (2)
C3A—Fe1A—C10A—C6A155.6 (16)C6B—Fe1B—C10B—C9B119.3 (11)
C8A—Fe1A—C10A—C6A81.6 (8)C8B—Fe1B—C10B—C9B37.4 (8)
C4A—Fe1A—C10A—C6A168.9 (7)C3B—Fe1B—C10B—C9B46.5 (15)
C7A—Fe1A—C10A—C6A38.0 (8)C4B—Fe1B—C10B—C9B83.5 (9)
C1A—Fe1A—C10A—C6A84.0 (8)C7B—Fe1B—C10B—C9B81.8 (9)
C9A—Fe1A—C10A—C6A119.6 (11)C5B—Fe1B—C10B—C9B126.6 (8)
C2A—Fe1A—C10A—C6A47.0 (15)C1B—Fe1B—C10B—C6B72.8 (9)
C5A—Fe1A—C10A—C6A127.2 (7)C8B—Fe1B—C10B—C6B82.0 (8)
C3A—Fe1A—C10A—C9A36 (2)C3B—Fe1B—C10B—C6B165.8 (10)
C8A—Fe1A—C10A—C9A38.0 (8)C4B—Fe1B—C10B—C6B157.1 (8)
C6A—Fe1A—C10A—C9A119.6 (11)C7B—Fe1B—C10B—C6B37.5 (8)
C4A—Fe1A—C10A—C9A71.5 (9)C5B—Fe1B—C10B—C6B114.1 (8)
C7A—Fe1A—C10A—C9A81.6 (9)C9B—Fe1B—C10B—C6B119.3 (11)
 

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