Download citation
Download citation
link to html
The title complex, [Yb(C9H12)(C26H42N2)Cl] or {(2,6-Pri2C6H3)NC(CH3)}2CH](tBuC5H4)YbCl, exists as a monomeric mol­ecule; the six-membered chelate ring adopts a boat conformation. The Yb atom is six-coordinate and the shape of the mol­ecule approximates to a three-legged piano stool.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805030965/ng6203sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805030965/ng6203Isup2.hkl
Contains datablock I

CCDC reference: 289819

Key indicators

  • Single-crystal X-ray study
  • T = 193 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.025
  • wR factor = 0.059
  • Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.56 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for C24 - C26 .. 7.45 su
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.97 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C19 - C24 .. 5.16 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C27 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C35
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 1999); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2000-2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Siemens, 1994); software used to prepare material for publication: SHELXL97.

(η5-tert-Butylcyclopentadienyl)chloro[N,N-(2,6-diisopropylphenyl)pentane-2,4- diiminato]ytterbium(III) top
Crystal data top
[Yb(C9H12)(C26H42N2)Cl]Z = 2
Mr = 747.32F(000) = 766
Triclinic, p1Dx = 1.369 Mg m3
Hall symbol: -p 1Melting point: 230 K
a = 10.858 (2) ÅMo Kα radiation, λ = 0.71070 Å
b = 11.803 (2) ÅCell parameters from 8023 reflections
c = 15.378 (3) Åθ = 3.0–25.3°
α = 97.688 (3)°µ = 2.68 mm1
β = 104.337 (4)°T = 193 K
γ = 104.019 (4)°Block, orange
V = 1812.8 (6) Å30.34 × 0.26 × 0.11 mm
Data collection top
Rigaku Mercury
diffractometer
6585 independent reflections
Radiation source: fine-focus sealed tube6255 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.024
Detector resolution: 7.31 pixels mm-1θmax = 25.4°, θmin = 3.0°
ω scansh = 1312
Absorption correction: multi-scan
(Jacobson, 1998)
k = 1412
Tmin = 0.463, Tmax = 0.757l = 1818
18042 measured 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)] = 0.025Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.059H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0254P)2 + 1.8363P]
where P = (Fo2 + 2Fc2)/3
6585 reflections(Δ/σ)max = 0.002
393 parametersΔρmax = 1.36 e Å3
1 restraintΔρmin = 0.73 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
Yb10.231423 (12)0.178383 (11)0.255726 (8)0.02192 (5)
Cl10.01050 (8)0.15110 (9)0.19006 (6)0.0404 (2)
N10.2588 (2)0.0017 (2)0.21642 (16)0.0226 (5)
N20.3219 (2)0.2281 (2)0.14465 (17)0.0233 (5)
C10.1704 (4)0.1777 (3)0.0885 (2)0.0411 (9)
H1A0.24510.21050.10770.062*
H1B0.13880.19350.02140.062*
H1C0.09840.21530.11230.062*
C20.2148 (3)0.0450 (3)0.1256 (2)0.0261 (7)
C30.2076 (3)0.0263 (3)0.0595 (2)0.0288 (7)
H30.15180.01480.00000.035*
C40.2686 (3)0.1480 (3)0.0660 (2)0.0267 (7)
C50.2688 (5)0.1840 (3)0.0247 (2)0.0481 (10)
H5A0.18770.20620.04920.072*
H5B0.27240.11700.06810.072*
H5C0.34630.25230.01550.072*
C60.2822 (3)0.0836 (3)0.2768 (2)0.0263 (7)
C70.4122 (3)0.0900 (3)0.3104 (2)0.0316 (7)
C80.4340 (4)0.1679 (3)0.3695 (3)0.0415 (9)
H80.52100.17500.39200.050*
C90.3321 (4)0.2346 (3)0.3957 (3)0.0484 (10)
H90.34920.28700.43600.058*
C100.2054 (4)0.2258 (3)0.3637 (2)0.0440 (9)
H100.13610.27130.38320.053*
C110.1770 (3)0.1511 (3)0.3031 (2)0.0300 (7)
C120.5284 (3)0.0154 (3)0.2853 (2)0.0363 (8)
H120.50700.05990.27350.044*
C130.6591 (4)0.0211 (4)0.3626 (3)0.0584 (12)
H13A0.64470.05410.42000.088*
H13B0.72540.08150.34740.088*
H13C0.69090.04900.36990.088*
C140.5458 (5)0.0762 (4)0.1970 (3)0.0639 (12)
H14A0.56410.15210.20500.096*
H14B0.62010.02430.18260.096*
H14C0.46440.09120.14670.096*
C150.0356 (3)0.1458 (3)0.2691 (2)0.0383 (8)
H150.02950.10490.21590.046*
C160.0015 (5)0.0726 (4)0.3430 (3)0.0625 (12)
H16A0.01220.10630.39830.094*
H16B0.09500.07480.32060.094*
H16C0.05430.01020.35760.094*
C170.0643 (4)0.2696 (4)0.2358 (3)0.0579 (12)
H17A0.04060.31600.18800.087*
H17B0.15340.26180.21070.087*
H17C0.06310.31050.28730.087*
C180.4032 (3)0.3454 (3)0.1458 (2)0.0271 (7)
C190.3457 (4)0.4394 (3)0.1370 (3)0.0410 (9)
C200.4276 (4)0.5525 (3)0.1448 (3)0.0577 (12)
H200.39030.61720.13990.069*
C210.5612 (4)0.5727 (4)0.1595 (4)0.0676 (14)
H210.61580.65080.16440.081*
C220.6164 (4)0.4807 (4)0.1673 (3)0.0583 (12)
H220.70940.49610.17750.070*
C230.5399 (3)0.3652 (3)0.1607 (2)0.0353 (8)
C240.1932 (5)0.4179 (4)0.1066 (4)0.0729 (16)
H240.14710.33210.10210.087*
C250.1552 (5)0.4977 (6)0.1776 (4)0.088 (2)
H25A0.18250.47740.23780.133*
H25B0.05900.48470.15870.133*
H25C0.20010.58170.18130.133*
C260.1488 (6)0.4533 (5)0.0125 (4)0.0894 (18)
H26A0.18150.54010.02000.134*
H26B0.05170.42800.01040.134*
H26C0.18520.41430.03130.134*
C270.6047 (3)0.2655 (3)0.1680 (3)0.0415 (9)
H270.53930.19570.17720.050*
C280.7293 (4)0.2961 (5)0.2483 (3)0.0629 (12)
H28A0.79760.36120.23940.094*
H28B0.76180.22580.25200.094*
H28C0.70910.32110.30520.094*
C290.6367 (7)0.2261 (6)0.0804 (4)0.093 (2)
H29A0.55550.20230.02870.139*
H29B0.67320.15830.08580.139*
H29C0.70190.29240.06990.139*
C300.2608 (3)0.3085 (3)0.4188 (2)0.0310 (7)
C310.3527 (3)0.3736 (3)0.3798 (2)0.0341 (8)
H31A0.35900.45630.36910.041*
C320.4466 (3)0.3114 (3)0.3719 (2)0.0413 (9)
H32A0.53180.34430.35790.050*
C330.4132 (4)0.2063 (4)0.4055 (2)0.0422 (9)
H33A0.47070.15250.41910.051*
C340.2990 (4)0.2041 (3)0.4337 (2)0.0366 (8)
H34A0.26010.14560.46800.044*
C350.1581 (4)0.3522 (3)0.4556 (3)0.0433 (9)
C360.2260 (5)0.4104 (6)0.5566 (3)0.090 (2)
H36A0.25990.35300.58880.136*
H36B0.16180.43520.58400.136*
H36C0.29970.48030.56170.136*
C370.0376 (4)0.2505 (4)0.4482 (3)0.0561 (11)
H37A0.00670.21260.38360.084*
H37B0.02400.28150.47470.084*
H37C0.06550.19150.48170.084*
C380.1082 (5)0.4395 (4)0.4018 (4)0.0768 (16)
H38A0.18150.51140.41080.115*
H38B0.03770.46110.42340.115*
H38C0.07310.40210.33640.115*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Yb10.02024 (8)0.02535 (8)0.01977 (8)0.00754 (6)0.00529 (6)0.00240 (5)
Cl10.0235 (4)0.0567 (6)0.0380 (5)0.0154 (4)0.0042 (4)0.0015 (4)
N10.0226 (13)0.0228 (13)0.0218 (13)0.0056 (10)0.0053 (11)0.0062 (10)
N20.0244 (13)0.0220 (13)0.0255 (13)0.0075 (11)0.0094 (11)0.0058 (10)
C10.060 (2)0.0262 (18)0.0301 (18)0.0054 (17)0.0101 (18)0.0010 (14)
C20.0274 (16)0.0236 (16)0.0248 (16)0.0056 (13)0.0066 (13)0.0019 (12)
C30.0351 (18)0.0270 (16)0.0201 (15)0.0070 (14)0.0037 (14)0.0025 (12)
C40.0321 (17)0.0288 (17)0.0240 (16)0.0122 (14)0.0118 (14)0.0077 (13)
C50.080 (3)0.037 (2)0.0304 (19)0.013 (2)0.022 (2)0.0106 (16)
C60.0307 (17)0.0237 (16)0.0230 (15)0.0083 (13)0.0048 (13)0.0045 (12)
C70.0328 (18)0.0273 (17)0.0306 (17)0.0103 (14)0.0020 (15)0.0022 (14)
C80.036 (2)0.037 (2)0.044 (2)0.0122 (17)0.0059 (17)0.0111 (16)
C90.053 (2)0.042 (2)0.041 (2)0.0078 (19)0.0044 (19)0.0215 (17)
C100.046 (2)0.040 (2)0.037 (2)0.0014 (17)0.0036 (18)0.0180 (16)
C110.0338 (18)0.0283 (17)0.0234 (16)0.0050 (14)0.0026 (14)0.0082 (13)
C120.0309 (18)0.0340 (19)0.047 (2)0.0147 (15)0.0117 (16)0.0083 (16)
C130.029 (2)0.067 (3)0.076 (3)0.014 (2)0.007 (2)0.019 (2)
C140.067 (3)0.058 (3)0.073 (3)0.016 (2)0.039 (3)0.002 (2)
C150.0320 (18)0.041 (2)0.041 (2)0.0039 (16)0.0104 (16)0.0166 (16)
C160.055 (3)0.072 (3)0.073 (3)0.023 (2)0.032 (2)0.020 (2)
C170.038 (2)0.052 (3)0.070 (3)0.0051 (19)0.001 (2)0.024 (2)
C180.0294 (17)0.0254 (16)0.0276 (16)0.0050 (14)0.0124 (14)0.0072 (13)
C190.0350 (19)0.0268 (18)0.062 (2)0.0088 (15)0.0156 (18)0.0114 (17)
C200.049 (2)0.026 (2)0.097 (4)0.0087 (18)0.019 (2)0.020 (2)
C210.044 (2)0.034 (2)0.120 (4)0.0010 (19)0.021 (3)0.029 (2)
C220.032 (2)0.046 (2)0.095 (4)0.0017 (19)0.021 (2)0.022 (2)
C230.0317 (18)0.0356 (19)0.040 (2)0.0076 (15)0.0142 (16)0.0110 (15)
C240.058 (3)0.034 (2)0.153 (5)0.029 (2)0.053 (3)0.039 (3)
C250.075 (4)0.162 (6)0.072 (3)0.078 (4)0.040 (3)0.056 (4)
C260.091 (4)0.089 (4)0.079 (4)0.039 (3)0.001 (3)0.007 (3)
C270.0298 (18)0.042 (2)0.058 (2)0.0121 (16)0.0191 (18)0.0126 (18)
C280.049 (2)0.081 (3)0.067 (3)0.038 (2)0.016 (2)0.012 (3)
C290.119 (5)0.116 (5)0.063 (3)0.076 (4)0.028 (3)0.002 (3)
C300.0325 (18)0.0342 (18)0.0230 (16)0.0064 (15)0.0085 (14)0.0002 (13)
C310.0340 (18)0.0306 (18)0.0313 (18)0.0025 (15)0.0103 (15)0.0042 (14)
C320.0248 (18)0.056 (2)0.0279 (18)0.0003 (16)0.0032 (15)0.0136 (16)
C330.038 (2)0.056 (2)0.0239 (17)0.0204 (18)0.0063 (16)0.0077 (16)
C340.045 (2)0.043 (2)0.0190 (16)0.0128 (17)0.0056 (15)0.0029 (14)
C350.050 (2)0.047 (2)0.039 (2)0.0154 (18)0.0269 (18)0.0010 (17)
C360.073 (3)0.121 (5)0.059 (3)0.015 (3)0.030 (3)0.043 (3)
C370.052 (3)0.069 (3)0.056 (3)0.017 (2)0.034 (2)0.008 (2)
C380.084 (4)0.065 (3)0.121 (5)0.046 (3)0.068 (4)0.033 (3)
Geometric parameters (Å, º) top
Yb1—N12.241 (2)C17—H17C0.9800
Yb1—N22.246 (2)C18—C231.400 (5)
Yb1—Cl12.4927 (9)C18—C191.405 (5)
Yb1—C322.554 (3)C19—C201.384 (5)
Yb1—C332.557 (3)C19—C241.551 (6)
Yb1—C312.606 (3)C20—C211.367 (6)
Yb1—C342.607 (3)C20—H200.9500
Yb1—C302.662 (3)C21—C221.366 (6)
Yb1—C23.028 (3)C21—H210.9500
Yb1—C43.030 (3)C22—C231.389 (5)
N1—C21.342 (4)C22—H220.9500
N1—C61.450 (4)C23—C271.514 (5)
N2—C41.332 (4)C24—C251.544 (7)
N2—C181.446 (4)C24—C261.553 (7)
C1—C21.506 (4)C24—H241.0000
C1—H1A0.9800C25—H25A0.9800
C1—H1B0.9800C25—H25B0.9800
C1—H1C0.9800C25—H25C0.9800
C2—C31.403 (4)C26—H26A0.9800
C3—C41.407 (4)C26—H26B0.9800
C3—H30.9500C26—H26C0.9800
C4—C51.512 (4)C27—C291.515 (6)
C5—H5A0.9800C27—C281.517 (6)
C5—H5B0.9800C27—H271.0000
C5—H5C0.9800C28—H28A0.9800
C6—C71.402 (5)C28—H28B0.9800
C6—C111.406 (5)C28—H28C0.9800
C7—C81.397 (5)C29—H29A0.9800
C7—C121.519 (5)C29—H29B0.9800
C8—C91.375 (6)C29—H29C0.9800
C8—H80.9500C30—C311.413 (5)
C9—C101.376 (6)C30—C341.421 (5)
C9—H90.9500C30—C351.530 (5)
C10—C111.397 (5)C31—C321.412 (5)
C10—H100.9500C31—H31A1.0000
C11—C151.514 (5)C32—C331.408 (6)
C12—C141.525 (5)C32—H32A1.0000
C12—C131.531 (5)C33—C341.407 (5)
C12—H121.0000C33—H33A1.0000
C13—H13A0.9800C34—H34A1.0000
C13—H13B0.9800C35—C371.515 (6)
C13—H13C0.9800C35—C381.522 (6)
C14—H14A0.9800C35—C361.526 (6)
C14—H14B0.9800C36—H36A0.9800
C14—H14C0.9800C36—H36B0.9800
C15—C171.527 (5)C36—H36C0.9800
C15—C161.528 (6)C37—H37A0.9800
C15—H151.0000C37—H37B0.9800
C16—H16A0.9800C37—H37C0.9800
C16—H16B0.9800C38—H38A0.9800
C16—H16C0.9800C38—H38B0.9800
C17—H17A0.9800C38—H38C0.9800
C17—H17B0.9800
N1—Yb1—N285.73 (9)C15—C16—H16B109.5
N1—Yb1—Cl1105.01 (7)H16A—C16—H16B109.5
N2—Yb1—Cl1105.05 (7)C15—C16—H16C109.5
N1—Yb1—C32108.11 (11)H16A—C16—H16C109.5
N2—Yb1—C3287.70 (11)H16B—C16—H16C109.5
Cl1—Yb1—C32145.26 (9)C15—C17—H17A109.5
N1—Yb1—C3387.06 (10)C15—C17—H17B109.5
N2—Yb1—C33110.29 (11)H17A—C17—H17B109.5
Cl1—Yb1—C33143.40 (9)C15—C17—H17C109.5
C32—Yb1—C3331.99 (13)H17A—C17—H17C109.5
N1—Yb1—C31138.31 (10)H17B—C17—H17C109.5
N2—Yb1—C3198.62 (10)C23—C18—C19120.8 (3)
Cl1—Yb1—C31113.55 (8)C23—C18—N2119.3 (3)
C32—Yb1—C3131.73 (11)C19—C18—N2119.8 (3)
C33—Yb1—C3152.38 (12)C20—C19—C18118.5 (3)
N1—Yb1—C3499.99 (10)C20—C19—C24118.9 (3)
N2—Yb1—C34139.50 (11)C18—C19—C24122.2 (3)
Cl1—Yb1—C34111.83 (8)C21—C20—C19121.1 (4)
C32—Yb1—C3452.26 (12)C21—C20—H20119.4
C33—Yb1—C3431.59 (12)C19—C20—H20119.4
C31—Yb1—C3451.61 (11)C22—C21—C20120.1 (4)
N1—Yb1—C30131.22 (9)C22—C21—H21119.9
N2—Yb1—C30129.47 (10)C20—C21—H21119.9
Cl1—Yb1—C3097.23 (7)C21—C22—C23121.7 (4)
C32—Yb1—C3052.27 (11)C21—C22—H22119.2
C33—Yb1—C3052.33 (11)C23—C22—H22119.2
C31—Yb1—C3031.09 (10)C22—C23—C18117.8 (3)
C34—Yb1—C3031.28 (11)C22—C23—C27120.0 (3)
N1—Yb1—C224.09 (8)C18—C23—C27122.2 (3)
N2—Yb1—C270.13 (9)C25—C24—C19109.1 (4)
Cl1—Yb1—C291.05 (6)C25—C24—C26107.8 (4)
C32—Yb1—C2123.67 (10)C19—C24—C26110.3 (4)
C33—Yb1—C2109.44 (10)C25—C24—H24109.9
C31—Yb1—C2155.15 (10)C19—C24—H24109.9
C34—Yb1—C2123.83 (10)C26—C24—H24109.9
C30—Yb1—C2154.74 (9)C24—C25—H25A109.5
N1—Yb1—C470.23 (8)C24—C25—H25B109.5
N2—Yb1—C423.84 (9)H25A—C25—H25B109.5
Cl1—Yb1—C491.26 (6)C24—C25—H25C109.5
C32—Yb1—C4109.45 (10)H25A—C25—H25C109.5
C33—Yb1—C4125.22 (11)H25B—C25—H25C109.5
C31—Yb1—C4122.31 (10)C24—C26—H26A109.5
C34—Yb1—C4156.76 (10)C24—C26—H26B109.5
C30—Yb1—C4152.65 (9)H26A—C26—H26B109.5
C2—Yb1—C449.97 (8)C24—C26—H26C109.5
C2—N1—C6118.4 (2)H26A—C26—H26C109.5
C2—N1—Yb1112.93 (19)H26B—C26—H26C109.5
C6—N1—Yb1126.31 (19)C23—C27—C29111.4 (4)
C4—N2—C18119.6 (2)C23—C27—C28113.8 (3)
C4—N2—Yb1113.20 (19)C29—C27—C28109.1 (4)
C18—N2—Yb1125.32 (19)C23—C27—H27107.4
C2—C1—H1A109.5C29—C27—H27107.4
C2—C1—H1B109.5C28—C27—H27107.4
H1A—C1—H1B109.5C27—C28—H28A109.5
C2—C1—H1C109.5C27—C28—H28B109.5
H1A—C1—H1C109.5H28A—C28—H28B109.5
H1B—C1—H1C109.5C27—C28—H28C109.5
N1—C2—C3124.1 (3)H28A—C28—H28C109.5
N1—C2—C1120.3 (3)H28B—C28—H28C109.5
C3—C2—C1115.6 (3)C27—C29—H29A109.5
C3—C2—Yb184.60 (18)C27—C29—H29B109.5
C1—C2—Yb1153.9 (2)H29A—C29—H29B109.5
C2—C3—C4131.2 (3)C27—C29—H29C109.5
C2—C3—H3114.4H29A—C29—H29C109.5
C4—C3—H3114.4H29B—C29—H29C109.5
N2—C4—C3124.1 (3)C31—C30—C34106.4 (3)
N2—C4—C5121.0 (3)C31—C30—C35126.8 (3)
C3—C4—C5114.9 (3)C34—C30—C35125.8 (3)
C3—C4—Yb184.48 (18)C31—C30—Yb172.28 (18)
C5—C4—Yb1154.0 (2)C34—C30—Yb172.23 (18)
C4—C5—H5A109.5C35—C30—Yb1129.5 (2)
C4—C5—H5B109.5C32—C31—C30109.0 (3)
H5A—C5—H5B109.5C32—C31—Yb172.10 (19)
C4—C5—H5C109.5C30—C31—Yb176.63 (18)
H5A—C5—H5C109.5C32—C31—H31A125.2
H5B—C5—H5C109.5C30—C31—H31A125.2
C7—C6—C11121.4 (3)Yb1—C31—H31A125.2
C7—C6—N1118.4 (3)C33—C32—C31107.9 (3)
C11—C6—N1120.2 (3)C33—C32—Yb174.13 (19)
C8—C7—C6117.9 (3)C31—C32—Yb176.17 (19)
C8—C7—C12119.6 (3)C33—C32—H32A125.5
C6—C7—C12122.5 (3)C31—C32—H32A125.5
C9—C8—C7121.3 (3)Yb1—C32—H32A125.5
C9—C8—H8119.3C34—C33—C32107.7 (3)
C7—C8—H8119.3C34—C33—Yb176.2 (2)
C8—C9—C10120.3 (3)C32—C33—Yb173.88 (19)
C8—C9—H9119.9C34—C33—H33A125.6
C10—C9—H9119.9C32—C33—H33A125.6
C9—C10—C11121.0 (3)Yb1—C33—H33A125.6
C9—C10—H10119.5C33—C34—C30109.1 (3)
C11—C10—H10119.5C33—C34—Yb172.26 (19)
C10—C11—C6118.0 (3)C30—C34—Yb176.50 (18)
C10—C11—C15118.9 (3)C33—C34—H34A125.1
C6—C11—C15123.1 (3)C30—C34—H34A125.1
C7—C12—C14112.2 (3)Yb1—C34—H34A125.1
C7—C12—C13113.4 (3)C37—C35—C38106.8 (4)
C14—C12—C13110.4 (3)C37—C35—C36108.9 (4)
C7—C12—H12106.8C38—C35—C36111.5 (4)
C14—C12—H12106.8C37—C35—C30111.9 (3)
C13—C12—H12106.8C38—C35—C30111.2 (3)
C12—C13—H13A109.5C36—C35—C30106.7 (3)
C12—C13—H13B109.5C35—C36—H36A109.5
H13A—C13—H13B109.5C35—C36—H36B109.5
C12—C13—H13C109.5H36A—C36—H36B109.5
H13A—C13—H13C109.5C35—C36—H36C109.5
H13B—C13—H13C109.5H36A—C36—H36C109.5
C12—C14—H14A109.5H36B—C36—H36C109.5
C12—C14—H14B109.5C35—C37—H37A109.5
H14A—C14—H14B109.5C35—C37—H37B109.5
C12—C14—H14C109.5H37A—C37—H37B109.5
H14A—C14—H14C109.5C35—C37—H37C109.5
H14B—C14—H14C109.5H37A—C37—H37C109.5
C11—C15—C17112.5 (3)H37B—C37—H37C109.5
C11—C15—C16111.2 (3)C35—C38—H38A109.5
C17—C15—C16109.7 (3)C35—C38—H38B109.5
C11—C15—H15107.8H38A—C38—H38B109.5
C17—C15—H15107.8C35—C38—H38C109.5
C16—C15—H15107.8H38A—C38—H38C109.5
C15—C16—H16A109.5H38B—C38—H38C109.5
N2—Yb1—N1—C248.1 (2)C18—C19—C20—C210.9 (7)
Cl1—Yb1—N1—C256.4 (2)C24—C19—C20—C21171.3 (5)
C32—Yb1—N1—C2134.2 (2)C19—C20—C21—C220.4 (8)
C33—Yb1—N1—C2158.7 (2)C20—C21—C22—C230.0 (8)
C31—Yb1—N1—C2146.2 (2)C21—C22—C23—C180.1 (7)
C34—Yb1—N1—C2172.4 (2)C21—C22—C23—C27179.0 (4)
C30—Yb1—N1—C2170.48 (19)C19—C18—C23—C220.7 (5)
C4—Yb1—N1—C229.5 (2)N2—C18—C23—C22175.9 (3)
N2—Yb1—N1—C6149.9 (2)C19—C18—C23—C27178.4 (3)
Cl1—Yb1—N1—C6105.6 (2)N2—C18—C23—C275.0 (5)
C32—Yb1—N1—C663.7 (3)C20—C19—C24—C2561.3 (6)
C33—Yb1—N1—C639.3 (2)C18—C19—C24—C25126.8 (4)
C31—Yb1—N1—C651.7 (3)C20—C19—C24—C2656.9 (6)
C34—Yb1—N1—C610.3 (2)C18—C19—C24—C26115.1 (4)
C30—Yb1—N1—C68.4 (3)C22—C23—C27—C2976.4 (5)
C2—Yb1—N1—C6162.0 (4)C18—C23—C27—C29102.7 (5)
C4—Yb1—N1—C6168.5 (3)C22—C23—C27—C2847.4 (5)
N1—Yb1—N2—C447.9 (2)C18—C23—C27—C28133.5 (4)
Cl1—Yb1—N2—C456.5 (2)N1—Yb1—C30—C31118.0 (2)
C32—Yb1—N2—C4156.3 (2)N2—Yb1—C30—C318.4 (2)
C33—Yb1—N2—C4133.2 (2)Cl1—Yb1—C30—C31124.71 (19)
C31—Yb1—N2—C4173.8 (2)C32—Yb1—C30—C3136.9 (2)
C34—Yb1—N2—C4148.3 (2)C33—Yb1—C30—C3177.7 (2)
C30—Yb1—N2—C4169.48 (19)C34—Yb1—C30—C31114.4 (3)
C2—Yb1—N2—C429.1 (2)C2—Yb1—C30—C31127.1 (2)
N1—Yb1—N2—C18147.7 (2)C4—Yb1—C30—C3117.6 (3)
Cl1—Yb1—N2—C18107.9 (2)N1—Yb1—C30—C343.6 (3)
C32—Yb1—N2—C1839.3 (2)N2—Yb1—C30—C34122.8 (2)
C33—Yb1—N2—C1862.4 (3)Cl1—Yb1—C30—C34120.9 (2)
C31—Yb1—N2—C189.4 (2)C32—Yb1—C30—C3477.5 (2)
C34—Yb1—N2—C1847.3 (3)C33—Yb1—C30—C3436.7 (2)
C30—Yb1—N2—C185.1 (3)C31—Yb1—C30—C34114.4 (3)
C2—Yb1—N2—C18166.5 (3)C2—Yb1—C30—C3412.7 (3)
C4—Yb1—N2—C18164.4 (4)C4—Yb1—C30—C34132.0 (2)
C6—N1—C2—C3169.8 (3)N1—Yb1—C30—C35118.5 (3)
Yb1—N1—C2—C326.6 (4)N2—Yb1—C30—C35115.1 (3)
C6—N1—C2—C19.6 (4)Cl1—Yb1—C30—C351.2 (3)
Yb1—N1—C2—C1153.9 (3)C32—Yb1—C30—C35160.4 (4)
C6—N1—C2—Yb1163.6 (3)C33—Yb1—C30—C35158.8 (4)
N2—Yb1—C2—N1127.9 (2)C31—Yb1—C30—C35123.5 (4)
Cl1—Yb1—C2—N1126.4 (2)C34—Yb1—C30—C35122.1 (4)
C32—Yb1—C2—N154.9 (2)C2—Yb1—C30—C35109.4 (3)
C33—Yb1—C2—N122.6 (2)C4—Yb1—C30—C35105.9 (3)
C31—Yb1—C2—N161.6 (3)C34—C30—C31—C320.8 (4)
C34—Yb1—C2—N19.0 (2)C35—C30—C31—C32168.1 (3)
C30—Yb1—C2—N116.9 (3)Yb1—C30—C31—C3265.4 (2)
C4—Yb1—C2—N1142.8 (2)C34—C30—C31—Yb164.7 (2)
N1—Yb1—C2—C3158.1 (3)C35—C30—C31—Yb1126.5 (3)
N2—Yb1—C2—C330.18 (18)N1—Yb1—C31—C3222.1 (3)
Cl1—Yb1—C2—C375.45 (19)N2—Yb1—C31—C3271.2 (2)
C32—Yb1—C2—C3103.2 (2)Cl1—Yb1—C31—C32178.2 (2)
C33—Yb1—C2—C3135.5 (2)C33—Yb1—C31—C3237.8 (2)
C31—Yb1—C2—C396.5 (3)C34—Yb1—C31—C3278.3 (2)
C34—Yb1—C2—C3167.16 (19)C30—Yb1—C31—C32115.3 (3)
C30—Yb1—C2—C3175.0 (2)C2—Yb1—C31—C3210.6 (4)
C4—Yb1—C2—C315.32 (18)C4—Yb1—C31—C3274.1 (2)
N1—Yb1—C2—C159.5 (5)N1—Yb1—C31—C3093.3 (2)
N2—Yb1—C2—C1172.6 (5)N2—Yb1—C31—C30173.47 (19)
Cl1—Yb1—C2—C166.9 (5)Cl1—Yb1—C31—C3062.8 (2)
C32—Yb1—C2—C1114.4 (5)C32—Yb1—C31—C30115.3 (3)
C33—Yb1—C2—C182.1 (5)C33—Yb1—C31—C3077.5 (2)
C31—Yb1—C2—C1121.1 (5)C34—Yb1—C31—C3037.1 (2)
C34—Yb1—C2—C150.4 (5)C2—Yb1—C31—C30125.9 (2)
C30—Yb1—C2—C142.6 (6)C4—Yb1—C31—C30170.53 (18)
C4—Yb1—C2—C1157.7 (6)C30—C31—C32—C330.4 (4)
N1—C2—C3—C417.5 (6)Yb1—C31—C32—C3368.0 (2)
C1—C2—C3—C4162.0 (4)C30—C31—C32—Yb168.4 (2)
Yb1—C2—C3—C435.3 (4)N1—Yb1—C32—C3351.3 (2)
C18—N2—C4—C3168.6 (3)N2—Yb1—C32—C33136.0 (2)
Yb1—N2—C4—C326.0 (4)Cl1—Yb1—C32—C33110.5 (2)
C18—N2—C4—C512.1 (5)C31—Yb1—C32—C33113.5 (3)
Yb1—N2—C4—C5153.3 (3)C34—Yb1—C32—C3337.4 (2)
C18—N2—C4—Yb1165.4 (3)C30—Yb1—C32—C3377.3 (2)
C2—C3—C4—N217.9 (6)C2—Yb1—C32—C3371.9 (2)
C2—C3—C4—C5162.8 (4)C4—Yb1—C32—C33126.1 (2)
C2—C3—C4—Yb135.3 (4)N1—Yb1—C32—C31164.7 (2)
N1—Yb1—C4—N2128.2 (2)N2—Yb1—C32—C31110.5 (2)
Cl1—Yb1—C4—N2126.3 (2)Cl1—Yb1—C32—C312.9 (3)
C32—Yb1—C4—N225.2 (2)C33—Yb1—C32—C31113.5 (3)
C33—Yb1—C4—N256.8 (2)C34—Yb1—C32—C3176.0 (2)
C31—Yb1—C4—N27.2 (2)C30—Yb1—C32—C3136.17 (19)
C34—Yb1—C4—N259.9 (3)C2—Yb1—C32—C31174.68 (18)
C30—Yb1—C4—N217.9 (3)C4—Yb1—C32—C31120.4 (2)
C2—Yb1—C4—N2143.4 (2)C31—C32—C33—C340.1 (4)
N1—Yb1—C4—C330.48 (18)Yb1—C32—C33—C3469.3 (2)
N2—Yb1—C4—C3158.6 (3)C31—C32—C33—Yb169.4 (2)
Cl1—Yb1—C4—C375.03 (19)N1—Yb1—C33—C34114.5 (2)
C32—Yb1—C4—C3133.4 (2)N2—Yb1—C33—C34161.1 (2)
C33—Yb1—C4—C3101.8 (2)Cl1—Yb1—C33—C343.1 (3)
C31—Yb1—C4—C3165.84 (19)C32—Yb1—C33—C34113.4 (3)
C34—Yb1—C4—C398.8 (3)C31—Yb1—C33—C3475.9 (2)
C30—Yb1—C4—C3176.5 (2)C30—Yb1—C33—C3436.3 (2)
C2—Yb1—C4—C315.28 (17)C2—Yb1—C33—C34123.6 (2)
N1—Yb1—C4—C5170.4 (6)C4—Yb1—C33—C34177.72 (19)
N2—Yb1—C4—C561.5 (6)N1—Yb1—C33—C32132.1 (2)
Cl1—Yb1—C4—C564.9 (6)N2—Yb1—C33—C3247.7 (2)
C32—Yb1—C4—C586.7 (6)Cl1—Yb1—C33—C32116.5 (2)
C33—Yb1—C4—C5118.3 (6)C31—Yb1—C33—C3237.5 (2)
C31—Yb1—C4—C554.2 (6)C34—Yb1—C33—C32113.4 (3)
C34—Yb1—C4—C5121.3 (6)C30—Yb1—C33—C3277.1 (2)
C30—Yb1—C4—C543.6 (6)C2—Yb1—C33—C32123.0 (2)
C2—Yb1—C4—C5155.2 (6)C4—Yb1—C33—C3268.9 (2)
C2—N1—C6—C797.7 (3)C32—C33—C34—C300.6 (4)
Yb1—N1—C6—C7101.1 (3)Yb1—C33—C34—C3068.3 (2)
C2—N1—C6—C1184.6 (4)C32—C33—C34—Yb167.7 (2)
Yb1—N1—C6—C1176.6 (3)C31—C30—C34—C330.8 (4)
C11—C6—C7—C81.5 (5)C35—C30—C34—C33168.2 (3)
N1—C6—C7—C8179.2 (3)Yb1—C30—C34—C3365.5 (2)
C11—C6—C7—C12178.2 (3)C31—C30—C34—Yb164.7 (2)
N1—C6—C7—C120.5 (4)C35—C30—C34—Yb1126.3 (3)
C6—C7—C8—C91.4 (5)N1—Yb1—C34—C3367.3 (2)
C12—C7—C8—C9178.3 (3)N2—Yb1—C34—C3327.8 (3)
C7—C8—C9—C100.1 (6)Cl1—Yb1—C34—C33178.0 (2)
C8—C9—C10—C111.1 (6)C32—Yb1—C34—C3337.9 (2)
C9—C10—C11—C61.0 (5)C31—Yb1—C34—C3378.6 (2)
C9—C10—C11—C15179.3 (3)C30—Yb1—C34—C33115.4 (3)
C7—C6—C11—C100.3 (5)C2—Yb1—C34—C3371.0 (3)
N1—C6—C11—C10178.0 (3)C4—Yb1—C34—C334.7 (4)
C7—C6—C11—C15179.4 (3)N1—Yb1—C34—C30177.3 (2)
N1—C6—C11—C151.8 (5)N2—Yb1—C34—C3087.6 (2)
C8—C7—C12—C1493.1 (4)Cl1—Yb1—C34—C3066.5 (2)
C6—C7—C12—C1487.3 (4)C32—Yb1—C34—C3077.5 (2)
C8—C7—C12—C1332.8 (5)C33—Yb1—C34—C30115.4 (3)
C6—C7—C12—C13146.8 (3)C31—Yb1—C34—C3036.87 (19)
C10—C11—C15—C1747.8 (5)C2—Yb1—C34—C30173.52 (18)
C6—C11—C15—C17132.5 (4)C4—Yb1—C34—C30120.1 (3)
C10—C11—C15—C1675.7 (4)C31—C30—C35—C37151.7 (4)
C6—C11—C15—C16104.0 (4)C34—C30—C35—C3741.5 (5)
C4—N2—C18—C2389.5 (4)Yb1—C30—C35—C3754.6 (4)
Yb1—N2—C18—C23107.1 (3)C31—C30—C35—C3832.4 (5)
C4—N2—C18—C1993.9 (4)C34—C30—C35—C38160.8 (4)
Yb1—N2—C18—C1969.6 (4)Yb1—C30—C35—C3864.7 (4)
C23—C18—C19—C201.1 (6)C31—C30—C35—C3689.3 (5)
N2—C18—C19—C20175.5 (4)C34—C30—C35—C3677.5 (5)
C23—C18—C19—C24170.9 (4)Yb1—C30—C35—C36173.6 (3)
N2—C18—C19—C2412.5 (6)
 

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