rac-(OC-6-33)-bis-[2-(N-Benzyl-methyl-imino-meth-yl-κN)-1H-imidazol-1-ido-κN]bis(ethyl-amido)-titanium(IV).

The title compound, [[Ti(C(2)H(10)N)(2)(C(11)H(10)N(3))(2)] or Ti(C(11)H(10)N(3))(2)(NEt(2))(2)], was prepared by direct reaction of 2-(N-phenyl-methyl-imino-meth-yl)-1H-imidazole and [Ti(NEt(2))(4)]. The Ti(IV) atom is in a pseudo-octa-hedral coordination environ-ment with the imidazolido-group N-atoms occupying apical positions and amido- and imino-N-atoms cis-located in the equatorial plane. The presence of two bidentate chelating ligands determines the chirality of the Ti(IV) atom. The crystallographically independent unit, except for its phenyl rings, adopts nearly pseudo-C(2) symmetry (rotation around a twofold axis passing through the Ti atom and the centre of the imino-N⋯imino-N segment). The Ti-N(amido), Ti-N(imidazolido), and Ti-N(imino) bond lengths essentially differ, increasing by approximately 0.2 Å in the series. All ligating N atoms are in a nearly planar environment, which is indicative of additional pπ-dπ donations towards the metal atom. The two diaza-metallacyclic units are planar within 0.03 and 0.05 Å.

Related literature

For mononuclear neutral TiIV complexes bearing two chelating amido-imino and two amido ligands see: Xiang et al. (2008 ▶); Zi et al. (2008 ▶). For closely related mononuclear neutral TiIV complexes bearing two chelating amido-amino and two amido ligands see: Fandos et al. (2005 ▶); Kempe (1997 ▶); Marsh (2004 ▶); Oberthur et al. (1997 ▶); Smolensky et al. (2005 ▶); Xiang et al. (2008 ▶); Zaher et al. (2008 ▶). For the practical applications of the complexes of the type, see: McKnight & Waymouth (1998 ▶); Fix et al. (1990 ▶). For procedures used in the complex preparation, see: Bürger & Dämmen (1974 ▶); Bradley & Thomas (1960 ▶); Armarego & Perrin (1997 ▶). For a description of the configuration of the coordination entities, see: Connely et al. (2005 ▶). For a description of the Cambridge Structural Database, see: Allen (2002 ▶).

Experimental

Crystal data

[Ti(C4H10N)2(C11H10N3)2]

M = 560.60

Triclinic,

a = 9.6465 (9) Å

b = 10.3796 (10) Å

c = 16.3341 (16) Å

α = 102.931 (2)°

β = 102.082 (2)°

γ = 93.184 (2)°

V = 1549.7 (3) Å3

Z = 2

Mo Kα radiation

μ = 0.31 mm−1

T = 296 K

0.35 × 0.24 × 0.14 mm

Data collection

BRUKER SMART APEXII diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.900, T max = 0.958

7867 measured reflections

5478 independent reflections

3387 reflections with I > 2σ(I)

R int = 0.029

Refinement

R[F 2 > 2σ(F 2)] = 0.044

wR(F 2) = 0.100

S = 0.94

5478 reflections

356 parameters

H-atom parameters constrained

Δρmax = 0.27 e Å−3

Δρmin = −0.25 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT-Plus (Bruker, 2007 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶) and OLEX2 (Dolomanov et al., 2009 ▶); software used to prepare material for publication: SHELXTL and OLEX2.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811013183/dn2674sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811013183/dn2674Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Ti(C4H10N)2(C11H10N3)2]	Z = 2
Mr = 560.60	F(000) = 596
Triclinic, P1	Dx = 1.201 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.6465 (9) Å	Cell parameters from 4167 reflections
b = 10.3796 (10) Å	θ = 2.3–27.8°
c = 16.3341 (16) Å	µ = 0.31 mm−1
α = 102.931 (2)°	T = 296 K
β = 102.082 (2)°	Block, orange
γ = 93.184 (2)°	0.35 × 0.24 × 0.14 mm
V = 1549.7 (3) Å3

BRUKER SMART APEXII diffractometer	5478 independent reflections
Radiation source: fine-focus sealed tube	3387 reflections with I > 2σ(I)
graphite	Rint = 0.029
Detector resolution: 8.333 pixels mm-1	θmax = 25.1°, θmin = 2.0°
phi and ω scans	h = −11→11
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	k = −8→12
Tmin = 0.900, Tmax = 0.958	l = −19→19
7867 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.100	H-atom parameters constrained
S = 0.94	w = 1/[σ2(Fo2) + (0.0394P)2] where P = (Fo2 + 2Fc2)/3
5478 reflections	(Δ/σ)max = 0.001
356 parameters	Δρmax = 0.27 e Å−3
0 restraints	Δρmin = −0.25 e Å−3

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.

	x	y	z	Uiso*/Ueq
Ti1	0.67106 (5)	0.95033 (5)	0.77116 (3)	0.03941 (15)
N1	0.8932 (2)	0.9452 (2)	0.81198 (12)	0.0408 (5)
N2	1.0873 (2)	0.8371 (2)	0.79390 (15)	0.0529 (6)
N3	0.7318 (2)	0.79631 (19)	0.66290 (12)	0.0416 (5)
N4	0.4688 (2)	0.9508 (2)	0.69011 (12)	0.0413 (5)
N5	0.3353 (3)	1.0264 (2)	0.58256 (15)	0.0617 (7)
N6	0.7129 (2)	1.0613 (2)	0.67001 (13)	0.0425 (5)
N7	0.6114 (2)	0.8134 (2)	0.81961 (13)	0.0439 (5)
N8	0.6623 (2)	1.1057 (2)	0.85617 (12)	0.0439 (5)
C1	0.9513 (3)	0.8501 (2)	0.76137 (16)	0.0409 (6)
C2	1.0016 (3)	0.9955 (3)	0.88178 (16)	0.0492 (7)
H2	0.9975	1.0629	0.9292	0.059*
C3	1.1177 (3)	0.9302 (3)	0.87046 (19)	0.0576 (8)
H3	1.2055	0.9469	0.9097	0.069*
C4	0.8635 (3)	0.7761 (2)	0.68127 (16)	0.0457 (7)
H4	0.9008	0.7145	0.6432	0.055*
C5	0.6388 (3)	0.7312 (3)	0.57744 (17)	0.0595 (8)
H5A	0.6090	0.7998	0.5479	0.071*
H5B	0.5537	0.6876	0.5866	0.071*
C6	0.7024 (3)	0.6313 (3)	0.51933 (15)	0.0424 (6)
C7	0.6961 (3)	0.5009 (3)	0.52388 (18)	0.0561 (7)
H7	0.6502	0.4748	0.5632	0.067*
C8	0.7553 (4)	0.4085 (3)	0.4723 (2)	0.0782 (10)
H8	0.7499	0.3207	0.4770	0.094*
C9	0.8212 (4)	0.4434 (5)	0.4150 (2)	0.0871 (12)
H9	0.8612	0.3796	0.3800	0.105*
C10	0.8305 (4)	0.5713 (5)	0.4071 (2)	0.0901 (12)
H10	0.8763	0.5949	0.3671	0.108*
C11	0.7702 (4)	0.6667 (3)	0.4600 (2)	0.0723 (9)
H11	0.7759	0.7543	0.4551	0.087*
C12	0.4652 (3)	1.0178 (3)	0.62701 (16)	0.0447 (6)
C13	0.3286 (3)	0.9160 (3)	0.68532 (17)	0.0506 (7)
H13	0.2928	0.8692	0.7201	0.061*
C14	0.2500 (3)	0.9621 (3)	0.6202 (2)	0.0618 (8)
H14	0.1509	0.9509	0.6039	0.074*
C15	0.5979 (3)	1.0702 (3)	0.61621 (16)	0.0482 (7)
H15	0.6013	1.1101	0.5710	0.058*
C16	0.8495 (3)	1.1028 (3)	0.65087 (17)	0.0505 (7)
H16A	0.8329	1.1056	0.5907	0.061*
H16B	0.9150	1.0369	0.6597	0.061*
C17	0.9174 (3)	1.2367 (3)	0.70619 (16)	0.0420 (6)
C18	0.8462 (3)	1.3481 (3)	0.70256 (18)	0.0562 (7)
H18	0.7563	1.3397	0.6663	0.067*
C19	0.9076 (4)	1.4714 (3)	0.7523 (2)	0.0653 (8)
H19	0.8589	1.5456	0.7491	0.078*
C20	1.0391 (4)	1.4856 (3)	0.8062 (2)	0.0716 (9)
H20	1.0803	1.5691	0.8393	0.086*
C21	1.1098 (3)	1.3760 (3)	0.8111 (2)	0.0703 (9)
H21	1.1988	1.3847	0.8484	0.084*
C22	1.0488 (3)	1.2524 (3)	0.76066 (19)	0.0565 (8)
H22	1.0983	1.1786	0.7639	0.068*
C23	0.5296 (3)	0.6855 (3)	0.77301 (19)	0.0622 (8)
H23A	0.5953	0.6182	0.7681	0.075*
H23B	0.4858	0.6915	0.7150	0.075*
C24	0.4141 (3)	0.6393 (4)	0.8133 (2)	0.0974 (13)
H24A	0.3581	0.5617	0.7745	0.146*
H24B	0.3538	0.7087	0.8243	0.146*
H24C	0.4570	0.6182	0.8666	0.146*
C25	0.6712 (3)	0.8214 (3)	0.91142 (17)	0.0575 (8)
H25A	0.5934	0.8079	0.9389	0.069*
H25B	0.7185	0.9103	0.9385	0.069*
C26	0.7767 (3)	0.7214 (3)	0.9281 (2)	0.0741 (9)
H26A	0.7304	0.6328	0.9029	0.111*
H26B	0.8106	0.7327	0.9892	0.111*
H26C	0.8558	0.7355	0.9027	0.111*
C27	0.7500 (3)	1.2329 (3)	0.87333 (17)	0.0583 (8)
H27A	0.6945	1.2917	0.8445	0.070*
H27B	0.8314	1.2174	0.8476	0.070*
C28	0.8044 (3)	1.3036 (3)	0.96745 (19)	0.0813 (10)
H28A	0.8729	1.3772	0.9724	0.122*
H28B	0.8485	1.2428	0.9986	0.122*
H28C	0.7261	1.3356	0.9910	0.122*
C29	0.5402 (3)	1.1148 (3)	0.89731 (18)	0.0582 (8)
H29A	0.5757	1.1442	0.9593	0.070*
H29B	0.4895	1.0268	0.8850	0.070*
C30	0.4360 (3)	1.2086 (3)	0.8683 (2)	0.0849 (11)
H30A	0.4079	1.1864	0.8064	0.127*
H30B	0.4807	1.2984	0.8884	0.127*
H30C	0.3533	1.2005	0.8916	0.127*

	U11	U22	U33	U12	U13	U23
Ti1	0.0373 (3)	0.0441 (3)	0.0362 (3)	0.0076 (2)	0.0114 (2)	0.0048 (2)
N1	0.0366 (11)	0.0433 (13)	0.0401 (12)	0.0043 (10)	0.0085 (10)	0.0058 (10)
N2	0.0379 (13)	0.0595 (16)	0.0599 (15)	0.0086 (11)	0.0096 (11)	0.0125 (12)
N3	0.0420 (13)	0.0385 (13)	0.0404 (12)	0.0061 (10)	0.0092 (10)	0.0012 (9)
N4	0.0366 (12)	0.0443 (13)	0.0416 (12)	0.0087 (10)	0.0103 (10)	0.0051 (10)
N5	0.0516 (15)	0.0729 (18)	0.0581 (16)	0.0194 (13)	0.0036 (13)	0.0159 (13)
N6	0.0431 (13)	0.0416 (13)	0.0435 (13)	0.0068 (10)	0.0166 (11)	0.0049 (10)
N7	0.0416 (12)	0.0482 (14)	0.0434 (13)	0.0079 (10)	0.0128 (10)	0.0102 (10)
N8	0.0448 (13)	0.0472 (14)	0.0386 (12)	0.0076 (11)	0.0141 (10)	0.0032 (10)
C1	0.0391 (15)	0.0396 (16)	0.0455 (15)	0.0054 (12)	0.0145 (12)	0.0086 (12)
C2	0.0430 (16)	0.0553 (18)	0.0435 (15)	0.0028 (14)	0.0054 (13)	0.0047 (13)
C3	0.0396 (16)	0.067 (2)	0.0599 (19)	0.0002 (15)	−0.0002 (14)	0.0154 (16)
C4	0.0463 (16)	0.0411 (16)	0.0513 (16)	0.0121 (13)	0.0190 (13)	0.0052 (13)
C5	0.0564 (18)	0.059 (2)	0.0504 (17)	0.0120 (15)	0.0041 (14)	−0.0076 (14)
C6	0.0495 (16)	0.0390 (17)	0.0353 (14)	0.0104 (13)	0.0079 (12)	0.0022 (12)
C7	0.068 (2)	0.0449 (19)	0.0528 (17)	0.0056 (15)	0.0137 (15)	0.0063 (14)
C8	0.085 (3)	0.053 (2)	0.083 (3)	0.0220 (19)	0.003 (2)	−0.0005 (19)
C9	0.072 (2)	0.100 (3)	0.073 (3)	0.029 (2)	0.019 (2)	−0.018 (2)
C10	0.093 (3)	0.118 (4)	0.064 (2)	0.001 (3)	0.042 (2)	0.009 (2)
C11	0.098 (3)	0.061 (2)	0.062 (2)	0.0069 (19)	0.0242 (19)	0.0191 (17)
C12	0.0457 (16)	0.0457 (17)	0.0404 (15)	0.0101 (13)	0.0075 (13)	0.0063 (13)
C13	0.0393 (16)	0.0533 (18)	0.0575 (18)	0.0065 (14)	0.0144 (14)	0.0063 (14)
C14	0.0370 (16)	0.070 (2)	0.071 (2)	0.0150 (15)	0.0053 (15)	0.0059 (17)
C15	0.0602 (18)	0.0472 (17)	0.0401 (15)	0.0106 (14)	0.0136 (14)	0.0133 (13)
C16	0.0518 (17)	0.0512 (18)	0.0540 (17)	0.0053 (14)	0.0225 (14)	0.0140 (14)
C17	0.0475 (16)	0.0415 (17)	0.0442 (15)	0.0051 (13)	0.0197 (13)	0.0167 (12)
C18	0.0552 (18)	0.054 (2)	0.0625 (19)	0.0080 (15)	0.0092 (15)	0.0237 (15)
C19	0.076 (2)	0.047 (2)	0.081 (2)	0.0136 (17)	0.0242 (19)	0.0242 (17)
C20	0.083 (2)	0.051 (2)	0.077 (2)	−0.0070 (19)	0.027 (2)	0.0038 (17)
C21	0.057 (2)	0.067 (2)	0.076 (2)	−0.0044 (17)	−0.0002 (16)	0.0124 (18)
C22	0.0504 (17)	0.0522 (19)	0.072 (2)	0.0127 (15)	0.0154 (15)	0.0210 (16)
C23	0.0602 (19)	0.059 (2)	0.066 (2)	−0.0031 (16)	0.0068 (16)	0.0202 (16)
C24	0.071 (2)	0.107 (3)	0.117 (3)	−0.022 (2)	0.011 (2)	0.052 (3)
C25	0.0617 (19)	0.063 (2)	0.0530 (18)	0.0099 (15)	0.0175 (15)	0.0194 (15)
C26	0.071 (2)	0.082 (2)	0.071 (2)	0.0200 (19)	0.0022 (17)	0.0321 (18)
C27	0.069 (2)	0.0525 (19)	0.0522 (17)	0.0082 (16)	0.0216 (15)	0.0034 (14)
C28	0.086 (2)	0.076 (2)	0.067 (2)	−0.0043 (19)	0.0150 (18)	−0.0107 (17)
C29	0.0580 (18)	0.060 (2)	0.0598 (18)	0.0188 (15)	0.0255 (15)	0.0065 (15)
C30	0.068 (2)	0.092 (3)	0.096 (3)	0.039 (2)	0.0227 (19)	0.012 (2)

Ti1—N7	1.892 (2)	C13—C14	1.366 (4)
Ti1—N8	1.897 (2)	C13—H13	0.9300
Ti1—N1	2.115 (2)	C14—H14	0.9300
Ti1—N4	2.117 (2)	C15—H15	0.9300
Ti1—N3	2.302 (2)	C16—C17	1.505 (3)
Ti1—N6	2.302 (2)	C16—H16A	0.9700
N1—C2	1.356 (3)	C16—H16B	0.9700
N1—C1	1.365 (3)	C17—C22	1.366 (3)
N2—C1	1.335 (3)	C17—C18	1.384 (3)
N2—C3	1.363 (3)	C18—C19	1.377 (4)
N3—C4	1.283 (3)	C18—H18	0.9300
N3—C5	1.482 (3)	C19—C20	1.363 (4)
N4—C12	1.362 (3)	C19—H19	0.9300
N4—C13	1.362 (3)	C20—C21	1.367 (4)
N5—C12	1.329 (3)	C20—H20	0.9300
N5—C14	1.354 (3)	C21—C22	1.382 (4)
N6—C15	1.284 (3)	C21—H21	0.9300
N6—C16	1.480 (3)	C22—H22	0.9300
N7—C23	1.465 (3)	C23—C24	1.514 (4)
N7—C25	1.471 (3)	C23—H23A	0.9700
N8—C27	1.466 (3)	C23—H23B	0.9700
N8—C29	1.471 (3)	C24—H24A	0.9600
C1—C4	1.426 (3)	C24—H24B	0.9600
C2—C3	1.365 (4)	C24—H24C	0.9600
C2—H2	0.9300	C25—C26	1.523 (4)
C3—H3	0.9300	C25—H25A	0.9700
C4—H4	0.9300	C25—H25B	0.9700
C5—C6	1.492 (3)	C26—H26A	0.9600
C5—H5A	0.9700	C26—H26B	0.9600
C5—H5B	0.9700	C26—H26C	0.9600
C6—C7	1.370 (3)	C27—C28	1.514 (4)
C6—C11	1.379 (4)	C27—H27A	0.9700
C7—C8	1.363 (4)	C27—H27B	0.9700
C7—H7	0.9300	C28—H28A	0.9600
C8—C9	1.337 (5)	C28—H28B	0.9600
C8—H8	0.9300	C28—H28C	0.9600
C9—C10	1.362 (5)	C29—C30	1.516 (4)
C9—H9	0.9300	C29—H29A	0.9700
C10—C11	1.398 (5)	C29—H29B	0.9700
C10—H10	0.9300	C30—H30A	0.9600
C11—H11	0.9300	C30—H30B	0.9600
C12—C15	1.423 (4)	C30—H30C	0.9600
N7—Ti1—N8	102.26 (9)	N5—C14—H14	124.4
N7—Ti1—N1	97.40 (8)	C13—C14—H14	124.4
N8—Ti1—N1	95.28 (8)	N6—C15—C12	118.9 (2)
N7—Ti1—N4	94.93 (8)	N6—C15—H15	120.6
N8—Ti1—N4	96.73 (8)	C12—C15—H15	120.6
N1—Ti1—N4	160.55 (8)	N6—C16—C17	112.8 (2)
N7—Ti1—N3	90.78 (8)	N6—C16—H16A	109.0
N8—Ti1—N3	164.61 (8)	C17—C16—H16A	109.0
N1—Ti1—N3	74.71 (7)	N6—C16—H16B	109.0
N4—Ti1—N3	90.18 (7)	C17—C16—H16B	109.0
N7—Ti1—N6	160.41 (8)	H16A—C16—H16B	107.8
N8—Ti1—N6	95.38 (8)	C22—C17—C18	118.2 (2)
N1—Ti1—N6	89.31 (7)	C22—C17—C16	121.9 (2)
N4—Ti1—N6	74.39 (7)	C18—C17—C16	119.9 (2)
N3—Ti1—N6	73.21 (7)	C19—C18—C17	120.5 (3)
C2—N1—C1	103.6 (2)	C19—C18—H18	119.8
C2—N1—Ti1	139.84 (18)	C17—C18—H18	119.8
C1—N1—Ti1	115.71 (15)	C20—C19—C18	120.6 (3)
C1—N2—C3	102.6 (2)	C20—C19—H19	119.7
C4—N3—C5	120.8 (2)	C18—C19—H19	119.7
C4—N3—Ti1	112.44 (16)	C19—C20—C21	119.5 (3)
C5—N3—Ti1	126.65 (16)	C19—C20—H20	120.3
C12—N4—C13	103.6 (2)	C21—C20—H20	120.3
C12—N4—Ti1	116.54 (16)	C20—C21—C22	120.0 (3)
C13—N4—Ti1	139.36 (18)	C20—C21—H21	120.0
C12—N5—C14	102.8 (2)	C22—C21—H21	120.0
C15—N6—C16	117.2 (2)	C17—C22—C21	121.2 (3)
C15—N6—Ti1	112.47 (17)	C17—C22—H22	119.4
C16—N6—Ti1	129.59 (16)	C21—C22—H22	119.4
C23—N7—C25	113.6 (2)	N7—C23—C24	115.6 (3)
C23—N7—Ti1	126.96 (17)	N7—C23—H23A	108.4
C25—N7—Ti1	118.60 (17)	C24—C23—H23A	108.4
C27—N8—C29	113.4 (2)	N7—C23—H23B	108.4
C27—N8—Ti1	125.74 (16)	C24—C23—H23B	108.4
C29—N8—Ti1	119.51 (17)	H23A—C23—H23B	107.4
N2—C1—N1	114.7 (2)	C23—C24—H24A	109.5
N2—C1—C4	127.1 (2)	C23—C24—H24B	109.5
N1—C1—C4	118.2 (2)	H24A—C24—H24B	109.5
N1—C2—C3	108.3 (2)	C23—C24—H24C	109.5
N1—C2—H2	125.9	H24A—C24—H24C	109.5
C3—C2—H2	125.9	H24B—C24—H24C	109.5
N2—C3—C2	110.8 (2)	N7—C25—C26	114.5 (2)
N2—C3—H3	124.6	N7—C25—H25A	108.6
C2—C3—H3	124.6	C26—C25—H25A	108.6
N3—C4—C1	118.5 (2)	N7—C25—H25B	108.6
N3—C4—H4	120.8	C26—C25—H25B	108.6
C1—C4—H4	120.8	H25A—C25—H25B	107.6
N3—C5—C6	116.3 (2)	C25—C26—H26A	109.5
N3—C5—H5A	108.2	C25—C26—H26B	109.5
C6—C5—H5A	108.2	H26A—C26—H26B	109.5
N3—C5—H5B	108.2	C25—C26—H26C	109.5
C6—C5—H5B	108.2	H26A—C26—H26C	109.5
H5A—C5—H5B	107.4	H26B—C26—H26C	109.5
C7—C6—C11	117.8 (2)	N8—C27—C28	115.8 (2)
C7—C6—C5	120.8 (2)	N8—C27—H27A	108.3
C11—C6—C5	121.4 (3)	C28—C27—H27A	108.3
C8—C7—C6	121.7 (3)	N8—C27—H27B	108.3
C8—C7—H7	119.1	C28—C27—H27B	108.3
C6—C7—H7	119.1	H27A—C27—H27B	107.4
C9—C8—C7	120.2 (3)	C27—C28—H28A	109.5
C9—C8—H8	119.9	C27—C28—H28B	109.5
C7—C8—H8	119.9	H28A—C28—H28B	109.5
C8—C9—C10	120.8 (3)	C27—C28—H28C	109.5
C8—C9—H9	119.6	H28A—C28—H28C	109.5
C10—C9—H9	119.6	H28B—C28—H28C	109.5
C9—C10—C11	119.3 (3)	N8—C29—C30	114.2 (2)
C9—C10—H10	120.4	N8—C29—H29A	108.7
C11—C10—H10	120.4	C30—C29—H29A	108.7
C6—C11—C10	120.2 (3)	N8—C29—H29B	108.7
C6—C11—H11	119.9	C30—C29—H29B	108.7
C10—C11—H11	119.9	H29A—C29—H29B	107.6
N5—C12—N4	114.9 (2)	C29—C30—H30A	109.5
N5—C12—C15	127.7 (3)	C29—C30—H30B	109.5
N4—C12—C15	117.5 (2)	H30A—C30—H30B	109.5
N4—C13—C14	107.7 (2)	C29—C30—H30C	109.5
N4—C13—H13	126.2	H30A—C30—H30C	109.5
C14—C13—H13	126.2	H30B—C30—H30C	109.5
N5—C14—C13	111.1 (2)
N7—Ti1—N1—C2	−84.9 (3)	C3—N2—C1—N1	0.1 (3)
N8—Ti1—N1—C2	18.2 (3)	C3—N2—C1—C4	−179.8 (3)
N4—Ti1—N1—C2	146.2 (3)	C2—N1—C1—N2	−0.1 (3)
N3—Ti1—N1—C2	−173.7 (3)	Ti1—N1—C1—N2	−171.77 (16)
N6—Ti1—N1—C2	113.5 (3)	C2—N1—C1—C4	179.8 (2)
N7—Ti1—N1—C1	82.46 (18)	Ti1—N1—C1—C4	8.1 (3)
N8—Ti1—N1—C1	−174.42 (17)	C1—N1—C2—C3	0.1 (3)
N4—Ti1—N1—C1	−46.4 (3)	Ti1—N1—C2—C3	168.4 (2)
N3—Ti1—N1—C1	−6.32 (16)	C1—N2—C3—C2	0.0 (3)
N6—Ti1—N1—C1	−79.08 (17)	N1—C2—C3—N2	0.0 (3)
N7—Ti1—N3—C4	−93.32 (18)	C5—N3—C4—C1	174.6 (2)
N8—Ti1—N3—C4	54.8 (4)	Ti1—N3—C4—C1	−1.4 (3)
N1—Ti1—N3—C4	4.14 (17)	N2—C1—C4—N3	175.6 (2)
N4—Ti1—N3—C4	171.75 (18)	N1—C1—C4—N3	−4.3 (4)
N6—Ti1—N3—C4	98.12 (18)	C4—N3—C5—C6	6.5 (4)
N7—Ti1—N3—C5	91.0 (2)	Ti1—N3—C5—C6	−178.21 (17)
N8—Ti1—N3—C5	−120.8 (3)	N3—C5—C6—C7	87.1 (3)
N1—Ti1—N3—C5	−171.5 (2)	N3—C5—C6—C11	−92.4 (3)
N4—Ti1—N3—C5	−3.9 (2)	C11—C6—C7—C8	0.4 (4)
N6—Ti1—N3—C5	−77.5 (2)	C5—C6—C7—C8	−179.0 (3)
N7—Ti1—N4—C12	−166.58 (17)	C6—C7—C8—C9	−0.3 (5)
N8—Ti1—N4—C12	90.43 (18)	C7—C8—C9—C10	0.1 (6)
N1—Ti1—N4—C12	−37.4 (3)	C8—C9—C10—C11	0.1 (6)
N3—Ti1—N4—C12	−75.79 (17)	C7—C6—C11—C10	−0.3 (4)
N6—Ti1—N4—C12	−3.30 (16)	C5—C6—C11—C10	179.2 (3)
N7—Ti1—N4—C13	23.5 (3)	C9—C10—C11—C6	0.0 (5)
N8—Ti1—N4—C13	−79.5 (3)	C14—N5—C12—N4	0.7 (3)
N1—Ti1—N4—C13	152.7 (3)	C14—N5—C12—C15	−179.1 (3)
N3—Ti1—N4—C13	114.3 (3)	C13—N4—C12—N5	−0.8 (3)
N6—Ti1—N4—C13	−173.2 (3)	Ti1—N4—C12—N5	−174.10 (17)
N7—Ti1—N6—C15	59.2 (3)	C13—N4—C12—C15	179.0 (2)
N8—Ti1—N6—C15	−95.02 (18)	Ti1—N4—C12—C15	5.7 (3)
N1—Ti1—N6—C15	169.74 (18)	C12—N4—C13—C14	0.5 (3)
N4—Ti1—N6—C15	0.48 (17)	Ti1—N4—C13—C14	171.3 (2)
N3—Ti1—N6—C15	95.51 (18)	C12—N5—C14—C13	−0.4 (3)
N7—Ti1—N6—C16	−110.1 (3)	N4—C13—C14—N5	−0.1 (3)
N8—Ti1—N6—C16	95.6 (2)	C16—N6—C15—C12	173.1 (2)
N1—Ti1—N6—C16	0.4 (2)	Ti1—N6—C15—C12	2.3 (3)
N4—Ti1—N6—C16	−168.9 (2)	N5—C12—C15—N6	174.4 (3)
N3—Ti1—N6—C16	−73.9 (2)	N4—C12—C15—N6	−5.4 (4)
N8—Ti1—N7—C23	146.5 (2)	C15—N6—C16—C17	104.0 (3)
N1—Ti1—N7—C23	−116.4 (2)	Ti1—N6—C16—C17	−87.1 (3)
N4—Ti1—N7—C23	48.5 (2)	N6—C16—C17—C22	119.2 (3)
N3—Ti1—N7—C23	−41.8 (2)	N6—C16—C17—C18	−60.9 (3)
N6—Ti1—N7—C23	−7.2 (4)	C22—C17—C18—C19	0.5 (4)
N8—Ti1—N7—C25	−45.04 (19)	C16—C17—C18—C19	−179.5 (3)
N1—Ti1—N7—C25	52.04 (19)	C17—C18—C19—C20	−0.3 (5)
N4—Ti1—N7—C25	−143.04 (18)	C18—C19—C20—C21	−0.5 (5)
N3—Ti1—N7—C25	126.72 (18)	C19—C20—C21—C22	1.0 (5)
N6—Ti1—N7—C25	161.2 (2)	C18—C17—C22—C21	0.1 (4)
N7—Ti1—N8—C27	151.9 (2)	C16—C17—C22—C21	−180.0 (3)
N1—Ti1—N8—C27	53.1 (2)	C20—C21—C22—C17	−0.9 (5)
N4—Ti1—N8—C27	−111.6 (2)	C25—N7—C23—C24	52.2 (3)
N3—Ti1—N8—C27	4.6 (4)	Ti1—N7—C23—C24	−138.8 (2)
N6—Ti1—N8—C27	−36.7 (2)	C23—N7—C25—C26	61.8 (3)
N7—Ti1—N8—C29	−42.4 (2)	Ti1—N7—C25—C26	−108.1 (2)
N1—Ti1—N8—C29	−141.14 (18)	C29—N8—C27—C28	54.1 (3)
N4—Ti1—N8—C29	54.19 (19)	Ti1—N8—C27—C28	−139.3 (2)
N3—Ti1—N8—C29	170.3 (3)	C27—N8—C29—C30	60.6 (3)
N6—Ti1—N8—C29	129.06 (18)	Ti1—N8—C29—C30	−106.9 (3)