Crystal structure of tri­benzyl­bis­(tetra­hydro­furan-κO)lutetium(III)

In the compound [Lu(C₇H₇)₃(C₄H₈O)₂], the Lu ion is coordinated by three benzyl and two tetra­hydro­furan ligands. Two of the benzyl groups are bonded in a classical η¹-fashion through the methyl­ene via the ipso-carbon atom of the benzyl ligand in addition to bonding through the methyl­ene C atom, resulting in a modified trigonal–bipyramidal coordination geometry about the Lu center.

Key indicators

• Single-crystal X-ray study
• T = 193 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.021
• wR factor = 0.051
• Data-to-parameter ratio = 20.1

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.76 Report
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          6 Report
PLAT977_ALERT_2_C Check Negative Difference Density on H6A              -0.33 eA-3

Alert level G
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)     0.0011 Degree
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1 Do !
            O2  -LU  -O1  -C1    -33.10  1.30   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          6 Do !
            O2  -LU  -O1  -C4    140.70  1.10   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11 Do !
            O1  -LU  -O2  -C8    173.00  1.10   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         16 Do !
            O1  -LU  -O2  -C5     -0.90  1.30   1.555   1.555   1.555   1.555
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         47 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          1 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          9 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   9 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: SMART (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Tribenzylbis(tetrahydrofuran-κO)lutetium(III)

Crystal data

[Lu(C7H7)3(C4H8O)2]	Z = 2
Mr = 592.55	F(000) = 596
Triclinic, P1	Dx = 1.537 Mg m^−3
a = 7.7103 (7) Å	Mo Kα radiation, λ = 0.71073 Å
b = 12.7416 (11) Å	Cell parameters from 5362 reflections
c = 14.2187 (12) Å	θ = 2.8–27.4°
α = 75.1572 (11)°	µ = 3.88 mm^−1
β = 77.8324 (11)°	T = 193 K
γ = 73.4904 (11)°	Prism, colorless
V = 1280.16 (19) Å^3	0.48 × 0.10 × 0.09 mm

Data collection

Bruker SMART 1000 CCD detector/PLATFORM diffractometer	5331 reflections with I > 2σ(I)
ω scans	Rint = 0.020
Absorption correction: numerical (SADABS; Bruker, 2015)	θmax = 27.5°, θmin = 1.7°
Tmin = 0.216, Tmax = 0.764	h = −10→10
11301 measured reflections	k = −16→16
5803 independent reflections	l = −18→18

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.021	H-atom parameters constrained
wR(F^2) = 0.051	w = 1/[σ^2(Fo^2) + (0.0273P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.001
5803 reflections	Δρmax = 1.00 e Å^−3
289 parameters	Δρmin = −0.36 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Lu	0.13939 (2)	0.09124 (2)	0.27792 (2)	0.02548 (4)
O1	0.3538 (2)	−0.07199 (15)	0.26404 (13)	0.0309 (4)
O2	−0.0789 (3)	0.25126 (16)	0.30019 (14)	0.0364 (4)
C1	0.4592 (4)	−0.1372 (2)	0.3424 (2)	0.0389 (6)
H1A	0.3942	−0.1209	0.4069	0.047*
H1B	0.5808	−0.1205	0.3305	0.047*
C2	0.4779 (5)	−0.2566 (2)	0.3395 (2)	0.0497 (8)
H2A	0.3715	−0.2836	0.3798	0.060*
H2B	0.5910	−0.3054	0.3644	0.060*
C3	0.4862 (4)	−0.2552 (2)	0.2311 (2)	0.0434 (7)
H3A	0.6144	−0.2781	0.1995	0.052*
H3B	0.4172	−0.3066	0.2235	0.052*
C4	0.3991 (4)	−0.1345 (2)	0.1856 (2)	0.0349 (6)
H4A	0.4857	−0.1035	0.1309	0.042*
H4B	0.2874	−0.1304	0.1596	0.042*
C5	−0.1912 (4)	0.2700 (3)	0.3927 (2)	0.0477 (8)
H5A	−0.1255	0.2260	0.4485	0.057*
H5B	−0.3066	0.2471	0.4005	0.057*
C6	−0.2297 (6)	0.3907 (3)	0.3903 (3)	0.0657 (11)
H6A	−0.1479	0.4053	0.4280	0.079*
H6B	−0.3581	0.4191	0.4190	0.079*
C7	−0.1960 (6)	0.4459 (3)	0.2846 (3)	0.0719 (12)
H7A	−0.3117	0.4942	0.2625	0.086*
H7B	−0.1083	0.4929	0.2746	0.086*
C8	−0.1194 (5)	0.3550 (3)	0.2286 (3)	0.0578 (9)
H8A	−0.2094	0.3528	0.1891	0.069*
H8B	−0.0068	0.3673	0.1836	0.069*
C10	−0.0726 (4)	−0.0116 (2)	0.3812 (2)	0.0362 (6)
H10A	−0.0231	−0.0627	0.4398	0.043*
H10B	−0.1927	0.0375	0.4011	0.043*
C11	−0.0786 (3)	−0.0711 (2)	0.30660 (19)	0.0303 (5)
C12	−0.1372 (3)	−0.0116 (2)	0.2159 (2)	0.0352 (6)
H12	−0.1848	0.0672	0.2063	0.042*
C13	−0.1277 (4)	−0.0643 (3)	0.1403 (2)	0.0423 (7)
H13	−0.1649	−0.0211	0.0795	0.051*
C14	−0.0648 (4)	−0.1785 (3)	0.1527 (2)	0.0442 (7)
H14	−0.0597	−0.2149	0.1012	0.053*
C15	−0.0090 (4)	−0.2399 (3)	0.2413 (2)	0.0405 (6)
H15	0.0331	−0.3190	0.2509	0.049*
C16	−0.0139 (3)	−0.1875 (2)	0.3159 (2)	0.0327 (6)
H16	0.0278	−0.2315	0.3754	0.039*
C20	0.3638 (4)	0.1353 (2)	0.3431 (2)	0.0343 (6)
H20A	0.3766	0.0859	0.4087	0.041*
H20B	0.4825	0.1169	0.3002	0.041*
C21	0.3296 (3)	0.2520 (2)	0.35345 (18)	0.0284 (5)
C22	0.2680 (4)	0.2820 (2)	0.44517 (19)	0.0323 (5)
H22	0.2537	0.2251	0.5022	0.039*
C23	0.2274 (4)	0.3919 (2)	0.4553 (2)	0.0406 (7)
H23	0.1844	0.4092	0.5186	0.049*
C24	0.2491 (4)	0.4766 (2)	0.3739 (2)	0.0466 (7)
H24	0.2219	0.5522	0.3806	0.056*
C25	0.3113 (5)	0.4489 (3)	0.2824 (2)	0.0483 (8)
H25	0.3271	0.5061	0.2258	0.058*
C26	0.3506 (4)	0.3393 (3)	0.2724 (2)	0.0396 (6)
H26	0.3931	0.3227	0.2089	0.048*
C30	0.1539 (4)	0.1513 (2)	0.10243 (19)	0.0347 (6)
H30A	0.1860	0.0846	0.0728	0.042*
H30B	0.0316	0.1961	0.0870	0.042*
C31	0.2885 (4)	0.2184 (2)	0.05797 (18)	0.0327 (6)
C32	0.4758 (4)	0.1712 (2)	0.0604 (2)	0.0385 (6)
H32	0.5154	0.0938	0.0884	0.046*
C33	0.6049 (5)	0.2338 (3)	0.0233 (2)	0.0494 (8)
H33	0.7307	0.1985	0.0256	0.059*
C34	0.5541 (6)	0.3459 (3)	−0.0166 (2)	0.0586 (10)
H34	0.6428	0.3888	−0.0409	0.070*
C35	0.3700 (6)	0.3952 (3)	−0.0209 (2)	0.0580 (10)
H35	0.3329	0.4727	−0.0489	0.070*
C36	0.2393 (5)	0.3337 (2)	0.0149 (2)	0.0441 (7)
H36	0.1144	0.3696	0.0104	0.053*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Lu	0.02754 (6)	0.02497 (6)	0.02355 (6)	−0.00524 (4)	−0.00317 (4)	−0.00625 (4)
O1	0.0330 (9)	0.0288 (9)	0.0321 (9)	−0.0021 (7)	−0.0084 (7)	−0.0117 (8)
O2	0.0355 (10)	0.0323 (10)	0.0362 (10)	−0.0003 (8)	−0.0041 (8)	−0.0079 (8)
C1	0.0440 (15)	0.0323 (14)	0.0418 (16)	−0.0057 (12)	−0.0175 (12)	−0.0051 (12)
C2	0.064 (2)	0.0316 (16)	0.054 (2)	−0.0066 (14)	−0.0202 (16)	−0.0051 (14)
C3	0.0460 (16)	0.0315 (15)	0.0531 (19)	−0.0040 (13)	−0.0076 (14)	−0.0154 (13)
C4	0.0382 (14)	0.0343 (14)	0.0339 (14)	−0.0088 (11)	0.0003 (11)	−0.0148 (12)
C5	0.0514 (18)	0.0472 (18)	0.0407 (17)	−0.0029 (14)	−0.0001 (13)	−0.0182 (14)
C6	0.075 (3)	0.049 (2)	0.069 (2)	0.0114 (18)	−0.017 (2)	−0.0295 (19)
C7	0.074 (3)	0.0370 (19)	0.094 (3)	−0.0066 (18)	0.007 (2)	−0.019 (2)
C8	0.069 (2)	0.0347 (18)	0.052 (2)	0.0083 (15)	−0.0066 (17)	−0.0025 (14)
C10	0.0388 (14)	0.0396 (15)	0.0318 (14)	−0.0131 (12)	0.0000 (11)	−0.0109 (12)
C11	0.0237 (12)	0.0372 (14)	0.0306 (13)	−0.0116 (10)	0.0004 (9)	−0.0068 (11)
C12	0.0287 (13)	0.0381 (15)	0.0346 (14)	−0.0088 (11)	−0.0040 (10)	0.0002 (12)
C13	0.0316 (14)	0.062 (2)	0.0317 (14)	−0.0145 (13)	−0.0062 (11)	−0.0035 (13)
C14	0.0427 (16)	0.060 (2)	0.0379 (16)	−0.0173 (15)	−0.0035 (12)	−0.0213 (14)
C15	0.0346 (14)	0.0392 (16)	0.0513 (18)	−0.0105 (12)	−0.0042 (12)	−0.0158 (13)
C16	0.0316 (13)	0.0352 (14)	0.0320 (14)	−0.0126 (11)	−0.0049 (10)	−0.0031 (11)
C20	0.0338 (13)	0.0333 (14)	0.0384 (15)	−0.0063 (11)	−0.0051 (11)	−0.0143 (12)
C21	0.0242 (11)	0.0346 (14)	0.0311 (13)	−0.0104 (10)	−0.0052 (9)	−0.0105 (11)
C22	0.0356 (13)	0.0349 (14)	0.0279 (13)	−0.0104 (11)	−0.0051 (10)	−0.0069 (11)
C23	0.0447 (16)	0.0444 (17)	0.0376 (15)	−0.0083 (13)	−0.0085 (12)	−0.0183 (13)
C24	0.061 (2)	0.0310 (15)	0.0554 (19)	−0.0121 (14)	−0.0175 (15)	−0.0138 (14)
C25	0.068 (2)	0.0383 (16)	0.0426 (17)	−0.0247 (15)	−0.0144 (15)	0.0032 (13)
C26	0.0464 (16)	0.0466 (17)	0.0308 (14)	−0.0174 (13)	−0.0027 (12)	−0.0126 (12)
C30	0.0377 (14)	0.0403 (15)	0.0262 (13)	−0.0108 (12)	−0.0058 (10)	−0.0049 (11)
C31	0.0468 (15)	0.0342 (14)	0.0187 (11)	−0.0139 (12)	−0.0034 (10)	−0.0051 (10)
C32	0.0454 (16)	0.0413 (16)	0.0298 (14)	−0.0151 (13)	−0.0012 (11)	−0.0078 (12)
C33	0.0524 (18)	0.067 (2)	0.0346 (16)	−0.0300 (16)	0.0032 (13)	−0.0123 (15)
C34	0.084 (3)	0.074 (3)	0.0341 (17)	−0.055 (2)	0.0032 (16)	−0.0087 (16)
C35	0.109 (3)	0.0387 (17)	0.0314 (16)	−0.0331 (19)	−0.0090 (17)	−0.0009 (13)
C36	0.0621 (19)	0.0396 (16)	0.0268 (14)	−0.0100 (14)	−0.0068 (13)	−0.0030 (12)

Geometric parameters (Å, º)

Lu—O1	2.2839 (17)	C12—C13	1.385 (4)
Lu—O2	2.2902 (18)	C12—H12	0.9500
Lu—C20	2.380 (3)	C13—C14	1.375 (5)
Lu—C10	2.401 (3)	C13—H13	0.9500
Lu—C30	2.404 (3)	C14—C15	1.385 (4)
Lu—C11	2.920 (3)	C14—H14	0.9500
O1—C1	1.455 (3)	C15—C16	1.379 (4)
O1—C4	1.461 (3)	C15—H15	0.9500
O2—C8	1.446 (4)	C16—H16	0.9500
O2—C5	1.450 (3)	C20—C21	1.475 (3)
C1—C2	1.498 (4)	C20—H20A	0.9900
C1—H1A	0.9900	C20—H20B	0.9900
C1—H1B	0.9900	C21—C26	1.399 (4)
C2—C3	1.526 (4)	C21—C22	1.401 (3)
C2—H2A	0.9900	C22—C23	1.383 (4)
C2—H2B	0.9900	C22—H22	0.9500
C3—C4	1.523 (4)	C23—C24	1.384 (4)
C3—H3A	0.9900	C23—H23	0.9500
C3—H3B	0.9900	C24—C25	1.387 (4)
C4—H4A	0.9900	C24—H24	0.9500
C4—H4B	0.9900	C25—C26	1.380 (4)
C5—C6	1.474 (4)	C25—H25	0.9500
C5—H5A	0.9900	C26—H26	0.9500
C5—H5B	0.9900	C30—C31	1.470 (4)
C6—C7	1.489 (5)	C30—H30A	0.9900
C6—H6A	0.9900	C30—H30B	0.9900
C6—H6B	0.9900	C31—C32	1.402 (4)
C7—C8	1.488 (5)	C31—C36	1.413 (4)
C7—H7A	0.9900	C32—C33	1.386 (4)
C7—H7B	0.9900	C32—H32	0.9500
C8—H8A	0.9900	C33—C34	1.369 (5)
C8—H8B	0.9900	C33—H33	0.9500
C10—C11	1.467 (4)	C34—C35	1.386 (5)
C10—H10A	0.9900	C34—H34	0.9500
C10—H10B	0.9900	C35—C36	1.384 (5)
C11—C16	1.405 (4)	C35—H35	0.9500
C11—C12	1.412 (4)	C36—H36	0.9500
O1—Lu—O2	177.10 (6)	C11—C10—H10B	112.7
O1—Lu—C20	84.95 (8)	Lu—C10—H10B	112.7
O2—Lu—C20	94.44 (8)	H10A—C10—H10B	110.2
O1—Lu—C10	90.54 (8)	C16—C11—C12	115.5 (2)
O2—Lu—C10	87.36 (8)	C16—C11—C10	123.5 (2)
C20—Lu—C10	121.59 (10)	C12—C11—C10	120.8 (3)
O1—Lu—C30	92.12 (8)	C16—C11—Lu	127.02 (17)
O2—Lu—C30	90.72 (8)	C12—C11—Lu	86.53 (16)
C20—Lu—C30	114.38 (10)	C10—C11—Lu	55.02 (13)
C10—Lu—C30	123.98 (9)	C13—C12—C11	122.2 (3)
O1—Lu—C11	76.43 (7)	C13—C12—H12	118.9
O2—Lu—C11	102.58 (7)	C11—C12—H12	118.9
C20—Lu—C11	143.56 (9)	C14—C13—C12	120.4 (3)
C10—Lu—C11	30.04 (8)	C14—C13—H13	119.8
C30—Lu—C11	97.55 (8)	C12—C13—H13	119.8
C1—O1—C4	108.2 (2)	C13—C14—C15	119.0 (3)
C1—O1—Lu	122.45 (15)	C13—C14—H14	120.5
C4—O1—Lu	129.13 (16)	C15—C14—H14	120.5
C8—O2—C5	107.1 (2)	C16—C15—C14	120.8 (3)
C8—O2—Lu	127.16 (18)	C16—C15—H15	119.6
C5—O2—Lu	125.49 (17)	C14—C15—H15	119.6
O1—C1—C2	104.6 (2)	C15—C16—C11	122.0 (3)
O1—C1—H1A	110.8	C15—C16—H16	119.0
C2—C1—H1A	110.8	C11—C16—H16	119.0
O1—C1—H1B	110.8	C21—C20—Lu	116.79 (17)
C2—C1—H1B	110.8	C21—C20—H20A	108.1
H1A—C1—H1B	108.9	Lu—C20—H20A	108.1
C1—C2—C3	104.5 (2)	C21—C20—H20B	108.1
C1—C2—H2A	110.9	Lu—C20—H20B	108.1
C3—C2—H2A	110.8	H20A—C20—H20B	107.3
C1—C2—H2B	110.8	C26—C21—C22	116.3 (2)
C3—C2—H2B	110.9	C26—C21—C20	122.2 (2)
H2A—C2—H2B	108.9	C22—C21—C20	121.5 (2)
C4—C3—C2	105.1 (2)	C23—C22—C21	122.1 (3)
C4—C3—H3A	110.7	C23—C22—H22	118.9
C2—C3—H3A	110.7	C21—C22—H22	118.9
C4—C3—H3B	110.7	C22—C23—C24	120.4 (3)
C2—C3—H3B	110.7	C22—C23—H23	119.8
H3A—C3—H3B	108.8	C24—C23—H23	119.8
O1—C4—C3	106.5 (2)	C23—C24—C25	118.5 (3)
O1—C4—H4A	110.4	C23—C24—H24	120.7
C3—C4—H4A	110.4	C25—C24—H24	120.7
O1—C4—H4B	110.4	C26—C25—C24	120.9 (3)
C3—C4—H4B	110.4	C26—C25—H25	119.5
H4A—C4—H4B	108.6	C24—C25—H25	119.5
O2—C5—C6	106.9 (3)	C25—C26—C21	121.7 (3)
O2—C5—H5A	110.3	C25—C26—H26	119.1
C6—C5—H5A	110.3	C21—C26—H26	119.1
O2—C5—H5B	110.3	C31—C30—Lu	112.80 (17)
C6—C5—H5B	110.3	C31—C30—H30A	109.0
H5A—C5—H5B	108.6	Lu—C30—H30A	109.0
C5—C6—C7	106.0 (3)	C31—C30—H30B	109.0
C5—C6—H6A	110.5	Lu—C30—H30B	109.0
C7—C6—H6A	110.5	H30A—C30—H30B	107.8
C5—C6—H6B	110.5	C32—C31—C36	115.9 (3)
C7—C6—H6B	110.5	C32—C31—C30	120.8 (2)
H6A—C6—H6B	108.7	C36—C31—C30	123.2 (3)
C8—C7—C6	106.8 (3)	C33—C32—C31	122.1 (3)
C8—C7—H7A	110.4	C33—C32—H32	119.0
C6—C7—H7A	110.4	C31—C32—H32	119.0
C8—C7—H7B	110.4	C34—C33—C32	121.0 (3)
C6—C7—H7B	110.4	C34—C33—H33	119.5
H7A—C7—H7B	108.6	C32—C33—H33	119.5
O2—C8—C7	106.8 (3)	C33—C34—C35	118.4 (3)
O2—C8—H8A	110.4	C33—C34—H34	120.8
C7—C8—H8A	110.4	C35—C34—H34	120.8
O2—C8—H8B	110.4	C36—C35—C34	121.3 (3)
C7—C8—H8B	110.4	C36—C35—H35	119.3
H8A—C8—H8B	108.6	C34—C35—H35	119.3
C11—C10—Lu	94.94 (16)	C35—C36—C31	121.2 (3)
C11—C10—H10A	112.7	C35—C36—H36	119.4
Lu—C10—H10A	112.7	C31—C36—H36	119.4
O2—Lu—O1—C1	−33.1 (13)	C20—Lu—C11—C12	−173.55 (15)
C20—Lu—O1—C1	45.0 (2)	C10—Lu—C11—C12	131.9 (2)
C10—Lu—O1—C1	−76.7 (2)	C30—Lu—C11—C12	−21.82 (17)
C30—Lu—O1—C1	159.2 (2)	O1—Lu—C11—C10	115.88 (17)
C11—Lu—O1—C1	−103.5 (2)	O2—Lu—C11—C10	−61.32 (17)
O2—Lu—O1—C4	140.7 (11)	C20—Lu—C11—C10	54.5 (2)
C20—Lu—O1—C4	−141.2 (2)	C30—Lu—C11—C10	−153.75 (17)
C10—Lu—O1—C4	97.1 (2)	C16—C11—C12—C13	−1.4 (4)
C30—Lu—O1—C4	−26.9 (2)	C10—C11—C12—C13	173.6 (2)
C11—Lu—O1—C4	70.3 (2)	Lu—C11—C12—C13	128.4 (2)
O1—Lu—O2—C8	173.0 (11)	C11—C12—C13—C14	2.0 (4)
C20—Lu—O2—C8	95.2 (3)	C12—C13—C14—C15	−0.8 (4)
C10—Lu—O2—C8	−143.3 (3)	C13—C14—C15—C16	−0.8 (4)
C30—Lu—O2—C8	−19.3 (3)	C14—C15—C16—C11	1.4 (4)
C11—Lu—O2—C8	−117.2 (3)	C12—C11—C16—C15	−0.3 (4)
O1—Lu—O2—C5	−0.9 (13)	C10—C11—C16—C15	−175.1 (3)
C20—Lu—O2—C5	−78.7 (2)	Lu—C11—C16—C15	−106.3 (3)
C10—Lu—O2—C5	42.7 (2)	O1—Lu—C20—C21	167.8 (2)
C30—Lu—O2—C5	166.7 (2)	O2—Lu—C20—C21	−15.0 (2)
C11—Lu—O2—C5	68.8 (2)	C10—Lu—C20—C21	−104.7 (2)
C4—O1—C1—C2	−32.1 (3)	C30—Lu—C20—C21	77.8 (2)
Lu—O1—C1—C2	142.9 (2)	C11—Lu—C20—C21	−133.25 (18)
O1—C1—C2—C3	32.7 (3)	Lu—C20—C21—C26	−74.3 (3)
C1—C2—C3—C4	−21.5 (3)	Lu—C20—C21—C22	103.4 (2)
C1—O1—C4—C3	18.3 (3)	C26—C21—C22—C23	0.9 (4)
Lu—O1—C4—C3	−156.28 (18)	C20—C21—C22—C23	−177.0 (2)
C2—C3—C4—O1	2.6 (3)	C21—C22—C23—C24	−0.8 (4)
C8—O2—C5—C6	−26.3 (4)	C22—C23—C24—C25	0.3 (5)
Lu—O2—C5—C6	148.7 (2)	C23—C24—C25—C26	0.1 (5)
O2—C5—C6—C7	19.6 (4)	C24—C25—C26—C21	0.0 (5)
C5—C6—C7—C8	−5.9 (5)	C22—C21—C26—C25	−0.5 (4)
C5—O2—C8—C7	22.3 (4)	C20—C21—C26—C25	177.4 (3)
Lu—O2—C8—C7	−152.5 (2)	O1—Lu—C30—C31	−91.35 (19)
C6—C7—C8—O2	−9.9 (5)	O2—Lu—C30—C31	89.27 (19)
O1—Lu—C10—C11	−61.00 (16)	C20—Lu—C30—C31	−5.9 (2)
O2—Lu—C10—C11	121.00 (17)	C10—Lu—C30—C31	176.57 (17)
C20—Lu—C10—C11	−145.40 (15)	C11—Lu—C30—C31	−167.94 (19)
C30—Lu—C10—C11	31.9 (2)	Lu—C30—C31—C32	65.0 (3)
Lu—C10—C11—C16	114.7 (2)	Lu—C30—C31—C36	−112.0 (2)
Lu—C10—C11—C12	−59.8 (2)	C36—C31—C32—C33	0.3 (4)
O1—Lu—C11—C16	7.5 (2)	C30—C31—C32—C33	−176.8 (3)
O2—Lu—C11—C16	−169.7 (2)	C31—C32—C33—C34	0.8 (5)
C20—Lu—C11—C16	−53.9 (3)	C32—C33—C34—C35	−1.2 (5)
C10—Lu—C11—C16	−108.4 (3)	C33—C34—C35—C36	0.5 (5)
C30—Lu—C11—C16	97.9 (2)	C34—C35—C36—C31	0.6 (5)
O1—Lu—C11—C12	−112.19 (16)	C32—C31—C36—C35	−1.0 (4)
O2—Lu—C11—C12	70.62 (16)	C30—C31—C36—C35	176.1 (3)