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Acta Cryst. (2007). E63, m2188    [ doi:10.1107/S1600536807034575 ]

An unsolvated erbium organyl: (2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2'-yl)bis(methylcyclopentadienyl)erbium(III)

M. Niemeyer

Abstract top

The title compound, [Er(Dmp)(C5H4Me)2] (Dmp = 2,6-Mes2C6H3, with Mes = 2,4,6-Me3C6H2) or [Er(C6H7)2(C24H25)], was obtained by the reaction of LiDmp with Er(C5H4Me)3. The Er atom is [eta]5-coordinated by two methylcyclopentadienyl ligands (average Er...centroid distance = 2.341 Å) and [eta]1-coordinated by the ipso-C atom of the aryl substituent [Er-C = 2.434 (4) Å]. An additional [pi]-arene contact with one of the Mes groups [Er...C = 3.077 (4) Å] gives rise to the pyramidalization of the metal-atom environment.

Comment top

Although base-stabilized bis(cyclopentadienyl)lanthanide aryls of the composition ArLnCp'2(thf) (Cp' =Cp, Cp*) have been known for more than three decades and were extensively studied (Tsutsui & Ely, 1975; Schumann et al., 1995), the corresponding Lewis-donor-free systems received much less attention. Earlier we have reported the first structurally characterized examples of this type, which are kinetically stabilized by the bulky Dmp ligand (Niemeyer & Hauber, 1999).

The crystal structure of the title compound, (I), is made up of monomeric units (Fig.1). The erbium atom is coordinated by two η5-bonded methylcyclopentadienyl ligands (their centroids are X5 and X5') and the ipso carbon atom C11 of the Dmp substituent. With 2.434 (4) Å the Er—C11 bond length is practically identical to the average Er—C distance of 2.431 Å in the solvated erbium organyl [Er(Ph)3(thf)3] (Bochkarev et al.,1995). The metal-carbon distances to the η5-coordinated methylcyclopentadienyl rings [average Er–C = 2.629 Å] are typical for other bis(cyclopentadienyl) complexes (Schumann et al., 1995).

The most interesting aspect of the solid-state structure of (I) is additional metal-π-arene interaction (Bochkarev, 2002) involving the Er atom and one of the mesityl rings of the terphenyl substituent, which is reflected in dramatically different Er···C21 and Er···C61 distances [Er···C21 = 3.077 (4) Å; Er···C61 = 3.945 (4) Å] as well as quite different Er—C11—C12 and Er—C11—C16 angles [136.0 (3)° and 108.4 (3)° respectively]. This interaction also causes a noticeable pyramidalization of the metal coordination: taking the centroids of the methylcyclopentadienyl rings and C11 as a reference, the sum of the angles around Er is calculated to be 353.6°. Alternatively, the degree of pyramidalization may be characterized by the displacement of the metal atom from the least-squares plane defined by X5, X5' and C11, which amounts to 0.348 (4) Å.

Related literature top

For other structurally characterized bis(cyclopentadienyl)lanthanide aryls, see Niemeyer & Hauber(1999). For a review of lanthanide···π-arene interactions, see Bochkarev (2002). For related literature, see: Bochkarev et al. (1995); Schumann et al. (1995); Tsutsui & Ely (1975).

Experimental top

A solution of LiDmp (0.81 g, 2.54 mmol) and Er(C5H4Me)3 (1.03 g, 2.54 mmol) in 20 ml of toluene was stirred for 14 h under an atmosphere of purified argon, after which all volatile materials were removed under reduced pressure. The remaining solid was extracted with a 1:4 mixture of toluene and n-heptane (ca 15 ml) and solid by-products were separated by filtration. Storage of the resulting pink solution in a 248 K freezer overnight afforded pale pink crystals of (I) (yield 61%), which were suitable for X-ray study.

m.p. 427–428 K (dec); EI—MS (70 eV, 420 K): m/z (%) 314.2 (100) [Dmp+], 324.0 (13) [{Er(C5H4Me)2}+], 558.2 (4.1)[{DmpErC5H4Me}+], 639.2 (2.6) [M+]. Anal. Calcd for C36H39Er: C, 67.67; H, 6.15. Found: C, 67.65; H, 6.30.

Refinement top

The H atoms were positioned geometrically at distances of 0.95 (Aryl-H), 0.98 (CH3) and 1.00 Å (MeC5H3—H) and refined in a riding model approximation, including free rotation for methyl groups. A common isotropic displacement parameter was refined for H atoms belonging to the CH (aryl), CH (C5H4Me) CH3 (Mes) and CH3 (C5H4Me) groups. The highest residual density of 1.05 e A°-3 and the deepest hole of -1.52 e A°-3 are located near the Er atom.

Computing details top

Data collection: XSCANS (Siemens, 1994); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2005) and SHELXTL (Sheldrick, 1998)'; software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. The molecular structure of (I), with atom labels and 30% probability displacement ellipsoids. H atoms have been omitted.
(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2'-yl)\ bis(methylcyclopentadienyl)erbium(III) top
Crystal data top
[Er(C6H7)2(C24H25)]F(000) = 1292
Mr = 638.93Dx = 1.510 Mg m−3
Monoclinic, P21/cMelting point: 428 K
Hall symbol: -P 2ybcMo Kα radiation, λ = 0.71069 Å
a = 9.6758 (9) ÅCell parameters from 48 reflections
b = 18.126 (1) Åθ = 6.0–12.5°
c = 16.248 (2) ŵ = 3.01 mm−1
β = 99.428 (7)°T = 173 K
V = 2811.1 (5) Å3Prism, pale pink
Z = 40.50 × 0.30 × 0.25 mm
Data collection top
Siemens P4
diffractometer		5572 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.071
graphiteθmax = 29.0°, θmin = 2.1°
ω scansh = −13→13
Absorption correction: ψ scan
(North et al., 1968)		k = 0→24
Tmin = 0.335, Tmax = 0.504l = 0→22
8124 measured reflections2 standard reflections every 298 reflections
7465 independent reflections intensity decay: none
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.095Only H-atom displacement parameters refined
S = 1.07 w = 1/[σ2(Fo2) + (0.0351P)2]
where P = (Fo2 + 2Fc2)/3
7465 reflections(Δ/σ)max = 0.001
346 parametersΔρmax = 1.05 e Å−3
0 restraintsΔρmin = −1.52 e Å−3
Crystal data top
[Er(C6H7)2(C24H25)]V = 2811.1 (5) Å3
Mr = 638.93Z = 4
Monoclinic, P21/cMo Kα radiation
a = 9.6758 (9) ŵ = 3.01 mm−1
b = 18.126 (1) ÅT = 173 K
c = 16.248 (2) Å0.50 × 0.30 × 0.25 mm
β = 99.428 (7)°
Data collection top
Siemens P4
diffractometer		5572 reflections with I > 2σ(I)
Absorption correction: ψ scan
(North et al., 1968)		Rint = 0.071
Tmin = 0.335, Tmax = 0.504θmax = 29.0°
8124 measured reflections2 standard reflections every 298 reflections
7465 independent reflections intensity decay: none
Refinement top
R[F2 > 2σ(F2)] = 0.040Only H-atom displacement parameters refined
wR(F2) = 0.095Δρmax = 1.05 e Å−3
S = 1.07Δρmin = −1.52 e Å−3
7465 reflectionsAbsolute structure: ?
346 parametersFlack parameter: ?
0 restraintsRogers parameter: ?
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
Er0.78480 (2)0.160221 (10)0.337742 (12)0.02371 (6)
C110.5701 (4)0.0878 (2)0.3177 (3)0.0220 (8)
C120.5970 (4)0.0191 (2)0.2803 (2)0.0203 (7)
C130.5040 (5)−0.0397 (2)0.2735 (3)0.0272 (9)
H13A0.5275−0.08480.24940.034 (5)*
C140.3776 (5)−0.0330 (2)0.3016 (3)0.0281 (9)
H14A0.3141−0.07330.29750.034 (5)*
C150.3442 (5)0.0339 (2)0.3362 (3)0.0266 (9)
H15A0.25690.03930.35510.034 (5)*
C160.4383 (4)0.0931 (2)0.3432 (2)0.0207 (8)
C210.7283 (4)0.0143 (2)0.2413 (2)0.0211 (8)
C220.7303 (5)0.0528 (2)0.1659 (3)0.0260 (9)
C230.8529 (5)0.0517 (2)0.1304 (3)0.0304 (10)
H23A0.85580.07930.08100.034 (5)*
C240.9699 (5)0.0117 (2)0.1648 (3)0.0277 (9)
C250.9613 (4)−0.0306 (2)0.2358 (3)0.0260 (9)
H25A1.0391−0.06010.25890.034 (5)*
C260.8426 (5)−0.0307 (2)0.2736 (2)0.0234 (8)
C310.9460 (5)0.1945 (3)0.4850 (3)0.0296 (9)
C321.0263 (5)0.1502 (2)0.4400 (3)0.0291 (9)
H32A1.11980.16370.42580.045 (6)*
C330.9663 (5)0.0792 (3)0.4322 (3)0.0307 (10)
H33A1.01210.03400.41400.045 (6)*
C340.8454 (5)0.0800 (3)0.4707 (3)0.0297 (9)
H34A0.79220.03540.48400.045 (6)*
C350.8312 (5)0.1508 (3)0.5022 (3)0.0302 (9)
H35A0.76360.16540.53970.045 (6)*
C410.7264 (6)0.3005 (2)0.3245 (3)0.0317 (10)
C420.8693 (5)0.2952 (2)0.3166 (3)0.0316 (10)
H42A0.94800.32070.35330.045 (6)*
C430.8798 (6)0.2591 (3)0.2417 (3)0.0378 (11)
H43A0.96680.25440.21640.045 (6)*
C440.7445 (6)0.2425 (3)0.2023 (3)0.0397 (12)
H44A0.71930.22340.14400.045 (6)*
C450.6479 (5)0.2677 (3)0.2522 (3)0.0358 (11)
H45A0.54400.27080.23490.045 (6)*
C610.3927 (4)0.1652 (2)0.3759 (2)0.0220 (7)
C620.3219 (5)0.2171 (2)0.3206 (3)0.0257 (9)
C630.2844 (5)0.2850 (2)0.3510 (3)0.0280 (9)
H63A0.23750.32020.31300.034 (5)*
C640.3137 (5)0.3025 (3)0.4350 (3)0.0301 (9)
C650.3779 (5)0.2494 (3)0.4898 (3)0.0291 (9)
H65A0.39590.26030.54780.034 (5)*
C660.4170 (4)0.1805 (2)0.4627 (3)0.0251 (9)
C2210.5983 (5)0.0849 (3)0.1176 (3)0.0344 (10)
H22A0.62030.11110.06850.064 (5)*
H22B0.55710.11950.15310.064 (5)*
H22C0.53150.04520.09960.064 (5)*
C2411.0993 (5)0.0103 (3)0.1238 (3)0.0390 (11)
H24A1.11330.05900.10040.064 (5)*
H24B1.0874−0.02660.07910.064 (5)*
H24C1.1811−0.00250.16540.064 (5)*
C2610.8379 (5)−0.0808 (2)0.3474 (3)0.0291 (9)
H26A0.9334−0.09530.37180.064 (5)*
H26B0.7829−0.12490.32890.064 (5)*
H26C0.7942−0.05460.38930.064 (5)*
C3110.9865 (7)0.2687 (3)0.5224 (4)0.0454 (13)
H31A1.03070.26250.58070.144 (17)*
H31B0.90260.29950.51980.144 (17)*
H31C1.05260.29250.49110.144 (17)*
C4110.6647 (6)0.3360 (3)0.3947 (4)0.0454 (12)
H41A0.65830.38940.38600.144 (17)*
H41B0.72490.32560.44810.144 (17)*
H41C0.57090.31590.39560.144 (17)*
C6210.2827 (6)0.1990 (3)0.2291 (3)0.0356 (11)
H62A0.25700.24450.19760.064 (5)*
H62B0.20300.16490.22100.064 (5)*
H62C0.36270.17600.20910.064 (5)*
C6410.2815 (6)0.3791 (3)0.4654 (3)0.0434 (13)
H64A0.18650.39350.43980.064 (5)*
H64B0.34900.41460.44980.064 (5)*
H64C0.28810.37840.52630.064 (5)*
C6610.4763 (5)0.1222 (3)0.5246 (3)0.0349 (10)
H66A0.50960.14530.57880.064 (5)*
H66B0.55450.09730.50480.064 (5)*
H66C0.40320.08610.53060.064 (5)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Er0.02356 (9)0.02370 (9)0.02381 (9)−0.00197 (9)0.00372 (6)0.00470 (8)
C110.024 (2)0.0229 (18)0.0203 (19)−0.0004 (16)0.0064 (16)0.0027 (15)
C120.0199 (18)0.0242 (18)0.0165 (17)0.0038 (15)0.0024 (14)0.0027 (15)
C130.029 (2)0.024 (2)0.028 (2)0.0015 (17)0.0027 (18)0.0004 (16)
C140.024 (2)0.026 (2)0.035 (2)−0.0014 (17)0.0031 (18)0.0007 (17)
C150.0185 (19)0.029 (2)0.033 (2)−0.0001 (17)0.0067 (17)0.0016 (17)
C160.0192 (18)0.0269 (19)0.0162 (17)0.0022 (15)0.0034 (15)0.0028 (15)
C210.0239 (19)0.0208 (17)0.0191 (18)0.0002 (15)0.0047 (15)−0.0009 (15)
C220.029 (2)0.0266 (19)0.0231 (19)0.0033 (17)0.0057 (17)0.0013 (17)
C230.040 (3)0.029 (2)0.024 (2)0.0041 (19)0.0121 (19)0.0057 (17)
C240.026 (2)0.030 (2)0.030 (2)−0.0007 (18)0.0121 (18)−0.0058 (18)
C250.0197 (19)0.028 (2)0.031 (2)0.0051 (16)0.0049 (17)−0.0051 (17)
C260.029 (2)0.025 (2)0.0170 (18)0.0031 (17)0.0075 (16)−0.0025 (15)
C310.030 (2)0.030 (2)0.028 (2)−0.0001 (19)0.0023 (18)0.0002 (18)
C320.0214 (19)0.036 (2)0.028 (2)−0.0030 (18)0.0008 (16)−0.0011 (18)
C330.033 (2)0.030 (2)0.027 (2)0.0061 (19)−0.0002 (19)0.0020 (18)
C340.031 (2)0.032 (2)0.025 (2)−0.0036 (18)0.0003 (18)0.0075 (18)
C350.026 (2)0.040 (3)0.025 (2)−0.0020 (19)0.0072 (17)0.0000 (18)
C410.042 (3)0.021 (2)0.033 (2)0.0034 (19)0.009 (2)0.0077 (17)
C420.034 (2)0.026 (2)0.035 (2)−0.0040 (19)0.009 (2)0.0056 (18)
C430.044 (3)0.034 (2)0.040 (3)−0.002 (2)0.021 (2)0.006 (2)
C440.055 (3)0.039 (3)0.026 (2)−0.003 (2)0.008 (2)0.006 (2)
C450.037 (3)0.030 (2)0.040 (3)0.002 (2)0.003 (2)0.018 (2)
C610.0174 (17)0.0259 (19)0.0238 (18)0.0000 (16)0.0067 (14)−0.0015 (16)
C620.028 (2)0.028 (2)0.022 (2)0.0033 (17)0.0074 (16)−0.0003 (16)
C630.027 (2)0.027 (2)0.030 (2)0.0081 (18)0.0054 (19)0.0019 (17)
C640.027 (2)0.032 (2)0.032 (2)0.0030 (18)0.0086 (19)−0.0054 (19)
C650.026 (2)0.038 (2)0.025 (2)0.0007 (19)0.0102 (18)−0.0052 (18)
C660.0171 (18)0.035 (2)0.024 (2)−0.0003 (16)0.0060 (16)0.0032 (16)
C2210.037 (3)0.037 (2)0.028 (2)0.009 (2)0.001 (2)0.0080 (19)
C2410.040 (3)0.047 (3)0.035 (3)0.000 (2)0.019 (2)0.000 (2)
C2610.035 (2)0.029 (2)0.024 (2)0.0021 (19)0.0050 (18)0.0021 (17)
C3110.053 (3)0.039 (3)0.045 (3)−0.002 (3)0.007 (3)−0.006 (2)
C4110.052 (3)0.044 (3)0.042 (3)0.008 (3)0.014 (2)0.001 (2)
C6210.045 (3)0.039 (3)0.022 (2)0.008 (2)0.001 (2)0.0015 (19)
C6410.050 (3)0.039 (3)0.042 (3)0.006 (2)0.010 (3)−0.012 (2)
C6610.035 (3)0.047 (3)0.024 (2)−0.001 (2)0.0079 (19)0.005 (2)
Geometric parameters (Å, °) top
Er—C112.434 (4)C41—C451.420 (7)
Er—C312.706 (5)C41—C4111.516 (7)
Er—C322.642 (4)C42—C431.400 (7)
Er—C332.591 (4)C42—H42A1.0000
Er—C342.591 (4)C43—C441.393 (8)
Er—C352.641 (4)C43—H43A1.0000
Er—C412.606 (4)C44—C451.410 (7)
Er—C422.620 (4)C44—H44A1.0000
Er—C432.639 (5)C45—H45A1.0000
Er—C442.635 (5)C61—C621.400 (6)
Er—C452.623 (4)C61—C661.419 (6)
C11—C161.407 (6)C62—C631.398 (6)
C11—C121.427 (5)C62—C6211.509 (6)
C12—C131.388 (6)C63—C641.384 (6)
C12—C211.512 (5)C63—H63A0.9500
C13—C141.379 (6)C64—C651.387 (7)
C13—H13A0.9500C64—C6411.523 (7)
C14—C151.396 (6)C65—C661.397 (6)
C14—H14A0.9500C65—H65A0.9500
C15—C161.399 (6)C66—C6611.506 (6)
C15—H15A0.9500C221—H22A0.9800
C16—C611.505 (6)C221—H22B0.9800
C21—C261.406 (6)C221—H22C0.9800
C21—C221.413 (6)C241—H24A0.9800
C22—C231.402 (6)C241—H24B0.9800
C22—C2211.502 (6)C241—H24C0.9800
C23—C241.383 (6)C261—H26A0.9800
C23—H23A0.9500C261—H26B0.9800
C24—C251.398 (6)C261—H26C0.9800
C24—C2411.512 (6)C311—H31A0.9800
C25—C261.388 (6)C311—H31B0.9800
C25—H25A0.9500C311—H31C0.9800
C26—C2611.509 (6)C411—H41A0.9800
C31—C321.403 (6)C411—H41B0.9800
C31—C351.429 (6)C411—H41C0.9800
C31—C3111.501 (7)C621—H62A0.9800
C32—C331.409 (6)C621—H62B0.9800
C32—H32A1.0000C621—H62C0.9800
C33—C341.414 (7)C641—H64A0.9800
C33—H33A1.0000C641—H64B0.9800
C34—C351.396 (6)C641—H64C0.9800
C34—H34A1.0000C661—H66A0.9800
C35—H35A1.0000C661—H66B0.9800
C41—C421.412 (7)C661—H66C0.9800
C11—Er—C3483.11 (14)C35—C34—C33108.0 (4)
C11—Er—C33104.71 (14)C35—C34—Er76.5 (3)
C34—Er—C3331.67 (15)C33—C34—Er74.2 (2)
C11—Er—C41110.29 (15)C35—C34—H34A125.4
C34—Er—C41129.28 (15)C33—C34—H34A125.4
C33—Er—C41135.95 (16)Er—C34—H34A125.4
C11—Er—C42139.83 (14)C34—C35—C31108.2 (4)
C34—Er—C42126.92 (15)C34—C35—Er72.5 (3)
C33—Er—C42114.29 (15)C31—C35—Er77.0 (3)
C41—Er—C4231.35 (15)C34—C35—H35A125.4
C11—Er—C4589.10 (15)C31—C35—H35A125.4
C34—Er—C45152.19 (16)Er—C35—H35A125.4
C33—Er—C45165.78 (16)C42—C41—C45107.2 (4)
C41—Er—C4531.51 (15)C42—C41—C411127.5 (5)
C42—Er—C4551.54 (16)C45—C41—C411125.2 (5)
C11—Er—C44100.81 (15)C42—C41—Er74.9 (3)
C34—Er—C44175.50 (16)C45—C41—Er74.9 (3)
C33—Er—C44144.02 (16)C411—C41—Er117.3 (3)
C41—Er—C4451.54 (16)C43—C42—C41108.8 (5)
C42—Er—C4450.84 (16)C43—C42—Er75.3 (3)
C45—Er—C4431.11 (16)C41—C42—Er73.8 (3)
C11—Er—C43131.29 (16)C43—C42—H42A125.2
C34—Er—C43145.23 (16)C41—C42—H42A125.2
C33—Er—C43117.89 (17)Er—C42—H42A125.2
C41—Er—C4351.68 (15)C44—C43—C42107.7 (5)
C42—Er—C4330.87 (15)C44—C43—Er74.5 (3)
C45—Er—C4351.42 (16)C42—C43—Er73.8 (3)
C44—Er—C4330.63 (17)C44—C43—H43A125.7
C11—Er—C3595.75 (14)C42—C43—H43A125.7
C34—Er—C3530.93 (14)Er—C43—H43A125.7
C33—Er—C3551.49 (15)C43—C44—C45109.1 (5)
C41—Er—C3598.37 (15)C43—C44—Er74.9 (3)
C42—Er—C35100.84 (15)C45—C44—Er74.0 (3)
C45—Er—C35124.86 (16)C43—C44—H44A125.1
C44—Er—C35149.23 (16)C45—C44—H44A125.1
C43—Er—C35128.62 (16)Er—C44—H44A125.1
C11—Er—C32133.97 (14)C44—C45—C41107.2 (5)
C34—Er—C3251.76 (14)C44—C45—Er74.9 (3)
C33—Er—C3231.22 (14)C41—C45—Er73.6 (3)
C41—Er—C32106.06 (15)C44—C45—H45A125.9
C42—Er—C3283.34 (15)C41—C45—H45A125.9
C45—Er—C32134.59 (15)Er—C45—H45A125.9
C44—Er—C32123.99 (16)C62—C61—C66119.4 (4)
C43—Er—C3293.49 (16)C62—C61—C16119.8 (4)
C35—Er—C3251.18 (14)C66—C61—C16120.7 (4)
C11—Er—C31126.72 (14)C63—C62—C61119.5 (4)
C34—Er—C3151.14 (14)C63—C62—C621120.1 (4)
C33—Er—C3150.93 (14)C61—C62—C621120.4 (4)
C41—Er—C3186.26 (15)C64—C63—C62121.8 (4)
C42—Er—C3175.78 (15)C64—C63—H63A119.1
C45—Er—C31117.76 (15)C62—C63—H63A119.1
C44—Er—C31126.43 (16)C63—C64—C65118.2 (4)
C43—Er—C3199.25 (16)C63—C64—C641120.5 (4)
C35—Er—C3130.97 (14)C65—C64—C641121.2 (4)
C32—Er—C3130.40 (14)C64—C65—C66122.2 (4)
C16—C11—C12114.9 (4)C64—C65—H65A118.9
C12—C11—Er108.4 (3)C66—C65—H65A118.9
C16—C11—Er136.0 (3)C65—C66—C61118.6 (4)
C13—C12—C11122.9 (4)C65—C66—C661120.6 (4)
C13—C12—C21120.0 (4)C61—C66—C661120.7 (4)
C11—C12—C21116.9 (4)C22—C221—H22A109.5
C14—C13—C12120.2 (4)C22—C221—H22B109.5
C14—C13—H13A119.9H22A—C221—H22B109.5
C12—C13—H13A119.9C22—C221—H22C109.5
C13—C14—C15119.1 (4)H22A—C221—H22C109.5
C13—C14—H14A120.4H22B—C221—H22C109.5
C15—C14—H14A120.4C24—C241—H24A109.5
C14—C15—C16120.5 (4)C24—C241—H24B109.5
C14—C15—H15A119.8H24A—C241—H24B109.5
C16—C15—H15A119.8C24—C241—H24C109.5
C15—C16—C11122.2 (4)H24A—C241—H24C109.5
C15—C16—C61118.0 (4)H24B—C241—H24C109.5
C11—C16—C61119.7 (4)C26—C261—H26A109.5
C26—C21—C22119.3 (4)C26—C261—H26B109.5
C26—C21—C12122.7 (3)H26A—C261—H26B109.5
C22—C21—C12117.8 (4)C26—C261—H26C109.5
C23—C22—C21118.8 (4)H26A—C261—H26C109.5
C23—C22—C221119.7 (4)H26B—C261—H26C109.5
C21—C22—C221120.9 (4)C31—C311—H31A109.5
C24—C23—C22122.2 (4)C31—C311—H31B109.5
C24—C23—H23A118.9H31A—C311—H31B109.5
C22—C23—H23A118.9C31—C311—H31C109.5
C23—C24—C25117.8 (4)H31A—C311—H31C109.5
C23—C24—C241120.8 (4)H31B—C311—H31C109.5
C25—C24—C241121.3 (4)C41—C411—H41A109.5
C26—C25—C24122.1 (4)C41—C411—H41B109.5
C26—C25—H25A118.9H41A—C411—H41B109.5
C24—C25—H25A118.9C41—C411—H41C109.5
C25—C26—C21119.4 (4)H41A—C411—H41C109.5
C25—C26—C261119.2 (4)H41B—C411—H41C109.5
C21—C26—C261121.4 (4)C62—C621—H62A109.5
C32—C31—C35107.4 (4)C62—C621—H62B109.5
C32—C31—C311126.4 (5)H62A—C621—H62B109.5
C35—C31—C311125.3 (4)C62—C621—H62C109.5
C32—C31—Er72.3 (3)H62A—C621—H62C109.5
C35—C31—Er72.0 (3)H62B—C621—H62C109.5
C311—C31—Er129.7 (3)C64—C641—H64A109.5
C31—C32—C33108.3 (4)C64—C641—H64B109.5
C31—C32—Er77.3 (3)H64A—C641—H64B109.5
C33—C32—Er72.4 (3)C64—C641—H64C109.5
C31—C32—H32A125.3H64A—C641—H64C109.5
C33—C32—H32A125.3H64B—C641—H64C109.5
Er—C32—H32A125.3C66—C661—H66A109.5
C32—C33—C34108.1 (4)C66—C661—H66B109.5
C32—C33—Er76.4 (3)H66A—C661—H66B109.5
C34—C33—Er74.2 (3)C66—C661—H66C109.5
C32—C33—H33A125.4H66A—C661—H66C109.5
C34—C33—H33A125.4H66B—C661—H66C109.5
Er—C33—H33A125.4
Table 1
Selected geometric parameters (Å, °) top
Er—C112.434 (4)Er—C412.606 (4)
Er—C312.706 (5)Er—C422.620 (4)
Er—C322.642 (4)Er—C432.639 (5)
Er—C332.591 (4)Er—C442.635 (5)
Er—C342.591 (4)Er—C452.623 (4)
Er—C352.641 (4)
C12—C11—Er108.4 (3)C16—C11—Er136.0 (3)
Acknowledgements top

The author thanks the Deutsche Forschungsgemeinschaft (DFG) for generous support.

references
References top

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