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The title dimer, bis­[1-cyclo­penta­dienyl-2-methyl-1-titana-3-tri­methylsilyl-2,3-dicarba-closo-hexaborane(6)], [Ti(C5H5)(C6­H16­B4Si)]2, reveals that the centrosymmetric mol­ecule consists of two bent-sandwich titanacarboranes bridged by the B-H-Ti bonds. The average bond distances are Ti-B 2.445 (3), Ti-C(cage) 2.334 (2) and Ti-C(Cp) 2.376 (3) Å, and the corresponding bond angles are Cp-Ti-Cp 163.2 (1) and Cp-Ti-Cb (Cb = C2B3 face) 139.9 (1)°; the Ti-H separations are 2.10 (2) and 2.19 (2) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100001013/da1105sup1.cif
Contains datablocks hos22, II

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100001013/da1105IIsup2.hkl
Contains datablock II

CCDC reference: 145513

Comment top

Group four (titanium group) organometallic compounds have been the subject of numerous structural, spectroscopic and synthetic investigations (Abel et al., 1995; Cardin et al., 1986; Jordan, 1988; Jordan et al., 1990; Corbin et al., 1986). Interest in the design of novel molecular magnetic materials (Miller & Epstein, 1994) has made the study of electron spin-electron spin interactions in dinuclear and polynuclear transition metal complexes a topic of intense research (VanVleck, 1932; Kahn, 1993; Mabbs & Collison, 1992). However, only a relatively small number of symmetrical TiIII dimers has been completely characterized by EPR, magnetic susceptibility measurements and crystal structure determinations (Samuel et al., 1992; Xin et al., 1994; Grimes, 1995; Hosmane & Maguire, 1990, 1991, 1993). Although our recent paper on this subject described the synthesis and reactivity studies on the dimeric mixed-ligand titanacarborane sandwich, [1-(Cp)-1-Ti-2-(Me)-3-(SiMe3)-2,3-C2B4H4)]2, (II) (Cp = η5 –C5H5), we were unable to grow a suitable single-crystal of this complex and hence its structure was not reported (Hosmane et al., 1997). After allowing a benzene solution of (II) to stand for several months at room temperature in vacuo, suitable crystals of the title compounds were obtained and were subsequently used for X-ray analysis. \sch

The driving force for the formation of (II) is most likely the stability of the TiIII product, as well as the formation of dihydrofulvalene. When the `carbons adjacent' bis(trimethylsilyl)carborane (Cb) was reacted with TiCl3, only the monomeric full-sandwich chlorotitanacarborane was formed, irrespective of the stoichiometry used in the reaction. Replacement of an SiMe3 group with the smaller Me group afforded the [(Cb*)2Ti]22- dimer exclusively (Hosmane et al., 1997). In the same way, replacement of one of the Cb ligands with the smaller, isolobal and isoelectronic π-donor Cp ligand also resulted in dimer formation, giving the mixed-ligand dimer, (II).

The crystal structure (Figure 1) reveals that (II) is a bent sandwich complex, similar to those found in the Cp system (Corbin et al., 1986; Samuel et al., 1992; Jungst et al., 1977; Peterson & Dahl, 1975; Pattiasina et al., 1987). The (ring centroid)-Ti-(ring centroid) bond angle of 139.9 (1)° is within the range of 130–144° found in the titanocenes (Corbin et al., 1986; Samuel et al., 1992; Jungst et al., 1977; Peterson & Dahl, 1975; Pattiasina et al., 1987), and similar to the analogous angles of 144.6 and 138.8° found by Jordan for the mixed-ligand complexes [(Cp*)Ti(NCMe2)(C2B9H11)] and [(Cp*)Ti(NCMe2)(MeCN)(C2B9H11)], respectively (Kreuder et al., 1995). A comparison of the distances between the Ti and the centroids of the Cp and C2B3 carborane rings reveals a surprising insensitivity to either the formal charge on the metals or the nature of the other ligands present. The average Ti—Cp distance of 2.060 (3) Å is close to the average of 2.054 (4) Å found in [Cp2TiCl]2 (Jungst et al., 1977) and is also close to the the analogous distances found in a number of substituted titanocenes (Corbin et al., 1986; Peterson & Dahl, 1975; Pattiasina et al., 1987). The average Ti—C2B3(centroid) distance of 1.983 (3) Å is close to the values of 2.02 and 1.91 Å found in the Cp*Ti(C2B9H11) mixed-ligand sandwich compounds of Jordan (Kreuder et al., 1995), as well as the Ti—C2B3(centroid) distance of 1.917 Å reported by Grimes for the cyclooctatetraene(COT) titanacarborane, 1-(η8-C8H8)-1-Ti-2,3-(Et)2-2,3-C2B4H4 (Swisher et al., 1984). The latter compound is of interest in that it as well as its cyclopentadienide analogues (Koon & Helmholdt, 1984) are not bent but have a linear ring centroid-Ti-ring centroid arrangement. It is not clear whether the linear structures found in the COT complexes are the results of the size of the [C8H8]2- ligand or the fact that it is a ten-electron donor. In the same way, while both steric and electronic effects are operative in determining the geometry of (II), the relative importance of the two effects is not apparent. However, the influence of steric factors is readily seen in some of the structural features of known titanacarborane bent-sandwich complexes (Hosmane et al., 1997). Nonetheless, substitution of an SiMe3 group by a sterically less demanding Me, allows additional coordination to form the dimeric structure as found for (II). This is similar to what is found in the titanocenes where the substitution of a Cp ligand in [Cp2TiCl]2 by Cp* (Cp* = η5-C5Me5) resulted in the isolation of the [(Cp*)2TiCl] monomer (Jungst et al., 1977; Peterson & Dahl, 1975; Pattiasina et al., 1987). Other properties may also be affected. For example, steric crowding by the SiMe3 groups has been used to account for the lack of reactivity of the coordinated Cl and THF in the zirconacarborane anion, [1-Cl-1-THF-2,2',3,3'-(SiMe3)4-1,1'-commo-Zr(2,3-C2B4H4)2]- (Thomas et al., 1995). It may well be that the use of different cage-carbon substituents and the locations of the cage-carbon atoms in the bonding face, could be used to control the reactivites of these d0 or d1 bent-sandwich metallacarboranes.

Experimental top

The reaction of Cp2TiCl2 with the unsolvated `carbons adjacent' dilithium compounds, closo-exo-Li-1-Li-2-(Me)-3-(SiMe3)-2,3-C2B4H4 (Hosmane et al., 1993), produced the corresponding mixed-ligand sandwich titanacarboranes, [commo-1-Cp-1-Ti(III)-2-(Me)-3-(SiMe3)-2,3-C2B4H4]2 (2) in 54% yield as shown in Scheme I (Hosmane, et al., 1997).

Refinement top

The hydrogen atoms on carbon atoms were refined using the riding model in SHELXTL with the Uiso equal to 1.5 times of that of the preceding carbon atoms for the methyl groups and 1.3 times for the rings. The C—H distances are equal to 0.97 and 0.96 Å for the CH2 and CH3 groups, respectively. The hydrogen atoms attached to boron atoms were located in a difference map, and freely refined.

Computing details top

Data collection: CAD-4-PC Software (Enraf-Nonius, 1989); cell refinement: CAD-4-PC Software; data reduction: CAD-4-PC Software; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. Displacement ellipsoid drawing of the title compound with ellipsoids shown at the 50% probability level [symmetry code: (i) 1 - x, -y, -z].
[1-(Cp)-1-Ti-2-(Me)-3-(SiMe3)-2,3-C2B4H4)]2 top
Crystal data top
[Ti(C5H5)(C6H16B4Si)]2F(000) = 572
Mr = 545.02Dx = 1.239 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 8.2310 (16) ÅCell parameters from 25 reflections
b = 10.655 (2) Åθ = 3–25°
c = 17.042 (3) ŵ = 0.64 mm1
β = 102.26 (3)°T = 293 K
V = 1460.5 (5) Å3Rectangular, black
Z = 20.32 × 0.20 × 0.10 mm
Data collection top
CAD4
diffractometer
2365 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.018
Graphite monochromatorθmax = 27.0°, θmin = 3.1°
ω–2θ scansh = 1010
Absorption correction: ψ scan
(North et al., 1968)
k = 013
Tmin = 0.862, Tmax = 0.938l = 021
3263 measured reflections3 standard reflections every 250 reflections
3164 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)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.089H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0455P)2 + 0.2584P]
where P = (Fo2 + 2Fc2)/3
3164 reflections(Δ/σ)max < 0.001
170 parametersΔρmax = 0.31 e Å3
0 restraintsΔρmin = 0.26 e Å3
Crystal data top
[Ti(C5H5)(C6H16B4Si)]2V = 1460.5 (5) Å3
Mr = 545.02Z = 2
Monoclinic, P21/cMo Kα radiation
a = 8.2310 (16) ŵ = 0.64 mm1
b = 10.655 (2) ÅT = 293 K
c = 17.042 (3) Å0.32 × 0.20 × 0.10 mm
β = 102.26 (3)°
Data collection top
CAD4
diffractometer
2365 reflections with I > 2σ(I)
Absorption correction: ψ scan
(North et al., 1968)
Rint = 0.018
Tmin = 0.862, Tmax = 0.9383 standard reflections every 250 reflections
3263 measured reflections intensity decay: none
3164 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0350 restraints
wR(F2) = 0.089H atoms treated by a mixture of independent and constrained refinement
S = 1.03Δρmax = 0.31 e Å3
3164 reflectionsΔρmin = 0.26 e Å3
170 parameters
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
Ti0.34443 (4)0.00578 (3)0.09397 (2)0.03221 (11)
Si0.22133 (7)0.33342 (5)0.05040 (4)0.03709 (15)
C10.3689 (2)0.20980 (18)0.07164 (11)0.0314 (4)
C20.4083 (3)0.1824 (2)0.15139 (12)0.0385 (5)
B30.5618 (3)0.0940 (3)0.14591 (16)0.0452 (6)
B40.6330 (3)0.0734 (2)0.04870 (15)0.0376 (5)
B50.5011 (3)0.1479 (2)0.00468 (14)0.0317 (4)
B60.5742 (3)0.2299 (2)0.08109 (15)0.0381 (5)
C110.1059 (4)0.0105 (3)0.19996 (18)0.0691 (9)
H110.06700.08930.21870.090*
C120.0574 (3)0.0557 (3)0.13901 (18)0.0619 (7)
H120.02030.02970.11000.080*
C130.1461 (3)0.1689 (2)0.12874 (17)0.0573 (7)
H130.13900.23070.09110.074*
C140.2460 (3)0.1725 (3)0.18433 (17)0.0639 (8)
H140.31650.23790.19130.083*
C150.2228 (4)0.0607 (3)0.22843 (16)0.0715 (8)
H150.27600.03820.26930.093*
C210.3275 (4)0.2560 (2)0.22590 (14)0.0568 (6)
H21A0.36760.22540.27130.085*
H21B0.35490.34330.21790.085*
H21C0.20910.24570.23560.085*
C1010.2663 (4)0.4892 (2)0.09116 (19)0.0678 (8)
H10A0.37940.51230.06890.102*
H10B0.19290.55120.07700.102*
H10C0.24980.48420.14860.102*
C1020.0023 (3)0.2885 (3)0.09335 (18)0.0647 (8)
H10D0.07090.35280.08180.097*
H10E0.02260.21070.07000.097*
H10F0.01290.27870.15040.097*
C1030.2460 (3)0.3458 (3)0.06043 (15)0.0613 (7)
H10G0.35840.36900.08410.092*
H10H0.22110.26630.08160.092*
H10I0.17130.40840.07270.092*
H30.618 (3)0.082 (2)0.2002 (14)0.054 (7)*
H40.748 (3)0.0252 (19)0.0170 (12)0.034 (5)*
H50.501 (2)0.1622 (18)0.0603 (12)0.032 (5)*
H60.625 (3)0.326 (2)0.0811 (14)0.053 (7)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ti0.02982 (18)0.03192 (19)0.03155 (18)0.00011 (16)0.00097 (13)0.00250 (16)
Si0.0344 (3)0.0339 (3)0.0416 (3)0.0059 (2)0.0050 (2)0.0028 (2)
C10.0294 (9)0.0322 (10)0.0316 (10)0.0003 (8)0.0040 (8)0.0035 (8)
C20.0421 (11)0.0419 (11)0.0312 (10)0.0016 (9)0.0068 (9)0.0049 (9)
B30.0479 (14)0.0491 (15)0.0422 (14)0.0004 (12)0.0179 (12)0.0029 (12)
B40.0312 (12)0.0360 (12)0.0448 (13)0.0006 (10)0.0066 (10)0.0017 (10)
B50.0267 (9)0.0314 (11)0.0353 (11)0.0027 (9)0.0024 (8)0.0003 (10)
B60.0328 (12)0.0390 (13)0.0440 (13)0.0021 (10)0.0115 (10)0.0034 (11)
C110.0685 (17)0.0463 (14)0.0696 (17)0.0031 (14)0.0370 (15)0.0031 (14)
C120.0332 (12)0.0602 (16)0.0825 (19)0.0039 (11)0.0097 (12)0.0193 (15)
C130.0484 (13)0.0435 (13)0.0690 (16)0.0120 (11)0.0124 (12)0.0051 (12)
C140.0559 (15)0.0586 (16)0.0648 (17)0.0054 (13)0.0152 (13)0.0291 (14)
C150.084 (2)0.081 (2)0.0392 (14)0.0175 (18)0.0104 (13)0.0143 (14)
C210.0759 (17)0.0582 (15)0.0350 (12)0.0041 (14)0.0088 (12)0.0106 (11)
C1010.086 (2)0.0368 (13)0.081 (2)0.0036 (13)0.0187 (16)0.0093 (13)
C1020.0362 (12)0.0651 (17)0.087 (2)0.0095 (12)0.0008 (13)0.0033 (15)
C1030.0673 (17)0.0689 (18)0.0491 (14)0.0163 (14)0.0157 (12)0.0077 (13)
Geometric parameters (Å, º) top
Ti—C12.330 (2)C1—B51.547 (3)
Ti—C22.339 (2)C1—B61.745 (3)
Ti—C152.371 (2)C2—C211.520 (3)
Ti—C132.371 (2)C2—B31.563 (3)
Ti—C112.375 (2)C2—B61.691 (3)
Ti—C142.378 (2)B3—B41.650 (4)
Ti—C122.384 (2)B3—B61.811 (4)
Ti—B32.406 (3)B4—B51.648 (3)
Ti—B52.414 (2)B4—B61.790 (3)
Ti—B5i2.415 (2)B4—Tii2.505 (3)
Ti—B42.484 (2)B5—B61.776 (3)
Ti—B4i2.505 (3)B5—Tii2.415 (2)
Si—C1021.859 (2)C11—C121.383 (4)
Si—C1031.861 (3)C11—C151.392 (4)
Si—C1011.866 (3)C12—C131.401 (4)
Si—C11.878 (2)C13—C141.380 (4)
C1—C21.492 (3)C14—C151.400 (4)
C1—Ti—C237.26 (7)C2—C1—B5109.48 (17)
C1—Ti—C15113.91 (9)C2—C1—B662.44 (14)
C2—Ti—C1583.89 (10)B5—C1—B664.98 (14)
C1—Ti—C13142.58 (8)C2—C1—Si125.99 (14)
C2—Ti—C13136.68 (8)B5—C1—Si122.61 (15)
C15—Ti—C1356.68 (11)B6—C1—Si127.62 (14)
C1—Ti—C1194.64 (8)C2—C1—Ti71.70 (11)
C2—Ti—C1180.92 (9)B5—C1—Ti73.94 (11)
C15—Ti—C1134.10 (11)B6—C1—Ti99.08 (12)
C13—Ti—C1156.62 (9)Si—C1—Ti133.30 (10)
C1—Ti—C14148.00 (9)C1—C2—C21121.24 (19)
C2—Ti—C14116.45 (9)C1—C2—B3113.16 (17)
C15—Ti—C1434.29 (10)C21—C2—B3124.44 (19)
C13—Ti—C1433.80 (9)C1—C2—B666.12 (14)
C11—Ti—C1456.58 (10)C21—C2—B6125.54 (19)
C1—Ti—C12108.54 (8)B3—C2—B667.50 (15)
C2—Ti—C12110.61 (9)C1—C2—Ti71.04 (11)
C15—Ti—C1256.47 (11)C21—C2—Ti133.95 (16)
C13—Ti—C1234.28 (9)B3—C2—Ti73.10 (13)
C11—Ti—C1233.79 (10)B6—C2—Ti100.36 (12)
C14—Ti—C1256.41 (10)C2—B3—B4104.47 (18)
C1—Ti—B365.12 (8)C2—B3—B659.64 (14)
C2—Ti—B338.42 (8)B4—B3—B662.09 (15)
C15—Ti—B387.01 (11)C2—B3—Ti68.48 (12)
C13—Ti—B3139.29 (10)B4—B3—Ti72.84 (12)
C11—Ti—B3104.31 (11)B6—B3—Ti94.52 (13)
C14—Ti—B3105.64 (10)B5—B4—B3105.39 (18)
C12—Ti—B3138.05 (10)B5—B4—B662.02 (14)
C1—Ti—B538.01 (7)B3—B4—B663.37 (15)
C2—Ti—B562.91 (8)B5—B4—Ti68.07 (11)
C15—Ti—B5146.73 (10)B3—B4—Ti67.75 (13)
C13—Ti—B5154.40 (9)B6—B4—Ti92.46 (12)
C11—Ti—B5132.40 (9)B5—B4—Tii67.49 (12)
C14—Ti—B5167.98 (9)B3—B4—Tii161.82 (16)
C12—Ti—B5135.60 (9)B6—B4—Tii121.79 (14)
B3—Ti—B565.96 (9)Ti—B4—Tii94.17 (9)
C1—Ti—B5i119.35 (7)C1—B5—B4107.31 (18)
C2—Ti—B5i134.18 (7)C1—B5—B662.90 (13)
C15—Ti—B5i124.74 (10)B4—B5—B662.91 (14)
C13—Ti—B5i86.97 (8)C1—B5—Ti68.05 (11)
C11—Ti—B5i143.47 (9)B4—B5—Ti72.63 (12)
C14—Ti—B5i92.23 (9)B6—B5—Ti95.18 (13)
C12—Ti—B5i115.06 (9)C1—B5—Tii164.76 (15)
B3—Ti—B5i102.15 (9)B4—B5—Tii73.41 (12)
B5—Ti—B5i81.66 (8)B6—B5—Tii127.50 (14)
C1—Ti—B464.57 (7)Ti—B5—Tii98.34 (8)
C2—Ti—B463.48 (8)C2—B6—C151.43 (12)
C15—Ti—B4124.30 (10)C2—B6—B591.36 (15)
C13—Ti—B4152.69 (9)C1—B6—B552.12 (12)
C11—Ti—B4142.44 (10)C2—B6—B493.67 (16)
C14—Ti—B4128.81 (9)C1—B6—B493.47 (15)
C12—Ti—B4173.03 (9)B5—B6—B455.06 (13)
B3—Ti—B439.41 (9)C2—B6—B352.85 (14)
B5—Ti—B439.30 (8)C1—B6—B391.60 (16)
B5i—Ti—B470.70 (8)B5—B6—B394.02 (16)
C1—Ti—B4i97.99 (7)B4—B6—B354.54 (14)
C2—Ti—B4i132.51 (8)C12—C11—C15108.3 (3)
C15—Ti—B4i142.78 (10)C12—C11—Ti73.45 (14)
C13—Ti—B4i86.39 (9)C15—C11—Ti72.78 (15)
C11—Ti—B4i129.67 (11)C11—C12—C13107.9 (3)
C14—Ti—B4i111.01 (10)C11—C12—Ti72.76 (14)
C12—Ti—B4i96.47 (10)C13—C12—Ti72.38 (13)
B3—Ti—B4i125.20 (9)C14—C13—C12108.0 (3)
B5—Ti—B4i70.35 (8)C14—C13—Ti73.35 (14)
B5i—Ti—B4i39.10 (8)C12—C13—Ti73.34 (14)
B4—Ti—B4i85.83 (9)C13—C14—C15108.2 (3)
C102—Si—C103107.79 (13)C13—C14—Ti72.86 (14)
C102—Si—C101109.57 (14)C15—C14—Ti72.59 (14)
C103—Si—C101109.10 (13)C11—C15—C14107.6 (3)
C102—Si—C1110.88 (11)C11—C15—Ti73.11 (15)
C103—Si—C1108.03 (11)C14—C15—Ti73.12 (14)
C101—Si—C1111.37 (12)
Symmetry code: (i) x+1, y, z.

Experimental details

Crystal data
Chemical formula[Ti(C5H5)(C6H16B4Si)]2
Mr545.02
Crystal system, space groupMonoclinic, P21/c
Temperature (K)293
a, b, c (Å)8.2310 (16), 10.655 (2), 17.042 (3)
β (°) 102.26 (3)
V3)1460.5 (5)
Z2
Radiation typeMo Kα
µ (mm1)0.64
Crystal size (mm)0.32 × 0.20 × 0.10
Data collection
DiffractometerCAD4
diffractometer
Absorption correctionψ scan
(North et al., 1968)
Tmin, Tmax0.862, 0.938
No. of measured, independent and
observed [I > 2σ(I)] reflections
3263, 3164, 2365
Rint0.018
(sin θ/λ)max1)0.638
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.035, 0.089, 1.03
No. of reflections3164
No. of parameters170
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.31, 0.26

Computer programs: CAD-4-PC Software (Enraf-Nonius, 1989), CAD-4-PC Software, SIR97 (Altomare et al., 1999), SHELXL97 (Sheldrick, 1997), SHELXL97.

Selected geometric parameters (Å, º) top
Ti—C12.330 (2)Ti—C122.384 (2)
Ti—C22.339 (2)Ti—B32.406 (3)
Ti—C152.371 (2)Ti—B52.414 (2)
Ti—C132.371 (2)Ti—B5i2.415 (2)
Ti—C112.375 (2)Ti—B42.484 (2)
Ti—C142.378 (2)Ti—B4i2.505 (3)
C1—Ti—C237.26 (7)C2—Ti—C14116.45 (9)
C1—Ti—C15113.91 (9)C15—Ti—C1434.29 (10)
C2—Ti—C1583.89 (10)C13—Ti—C1433.80 (9)
C1—Ti—C13142.58 (8)C11—Ti—C1456.58 (10)
C2—Ti—C13136.68 (8)C1—Ti—C12108.54 (8)
C15—Ti—C1356.68 (11)C2—Ti—C12110.61 (9)
C1—Ti—C1194.64 (8)C15—Ti—C1256.47 (11)
C2—Ti—C1180.92 (9)C13—Ti—C1234.28 (9)
C15—Ti—C1134.10 (11)C11—Ti—C1233.79 (10)
C13—Ti—C1156.62 (9)C14—Ti—C1256.41 (10)
C1—Ti—C14148.00 (9)
Symmetry code: (i) x+1, y, z.
 

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