Tetra-μ-benzoato-bis­[benzoato(2,2-bipyrid­yl)terbium(III)]

Wang, S.-P.; Gao, Z.-H.; Xu, L.-J.; Wang, R.-F.

doi:10.1107/S1600536806026493

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Tetra-μ-benzoato-bis[benzoato(2,2-bipyridyl)terbium(III)]

S.-P. Wang, Z.-H. Gao, L.-J. Xu and R.-F. Wang

In the title compound, [Tb₂(C₇H₅O₂)₆(C₁₀H₈N₂)₂], two Tb^III ions are linked by four carboxylate groups in bidentate bridging modes, forming a binuclear unit. Each Tb^III ion is eight-coordinated by one 2,2′-bipyridyl molecule, one bidentate carboxylate group and four bridging carboxylate groups, giving distorted square-antiprismatic geometry.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806026493/sg2045sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806026493/sg2045Isup2.hkl Contains datablock I

CCDC reference: 618328

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.027
wR factor = 0.059
Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.77
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.77 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O6     -   C35     ..       6.28 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O10
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O12
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C38
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C36    -C41           1.37 Ang.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        227
            O2  -TB2 -C21 -C22   172.60  1.80   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        228
            O7  -TB2 -C21 -C22   -21.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        229
            O5  -TB2 -C21 -C22    51.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        230
            O4  -TB2 -C21 -C22   -94.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        231
            O10 -TB2 -C21 -C22    90.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        232
            O9  -TB2 -C21 -C22   -99.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        233
            N1  -TB2 -C21 -C22  -169.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        234
            N2  -TB2 -C21 -C22   130.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        237
            TB2 -C21 -C22 -C23  -102.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        240
            TB2 -C21 -C22 -C27    77.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        299
            O6  -TB1 -C42 -C43   -78.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        300
            O3  -TB1 -C42 -C43   100.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        301
            O1  -TB1 -C42 -C43  -154.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        302
            O8  -TB1 -C42 -C43    -2.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        303
            O11 -TB1 -C42 -C43    32.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        304
            O12 -TB1 -C42 -C43  -150.00  8.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        305
            N3  -TB1 -C42 -C43   135.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        306
            N4  -TB1 -C42 -C43    76.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        309
            TB1 -C42 -C43 -C44   -23.00  8.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        312
            TB1 -C42 -C43 -C48   158.00  7.00   1.555   1.555   1.555   1.555

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.770
            Tmax scaled      0.770 Tmin scaled      0.601

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  30 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
  22 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART-NT (Bruker, 1998); cell refinement: SMART-NT; data reduction: SAINT-NT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-NT (Bruker, 1998); software used to prepare material for publication: SHELXTL-NT.

Tetra-µ-benzoato-bis[benzoato(2,2-bipyridyl)terbium(III)] top

Crystal data top

[Tb₂(C₇H₅O₂)₆(C₁₀H₈N₂)₂]	F(000) = 2688
M_r = 1356.87	D_x = 1.639 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
a = 14.1379 (9) Å	Cell parameters from 5632 reflections
b = 15.3995 (10) Å	θ = 2.3–22.2°
c = 25.9625 (16) Å	µ = 2.62 mm⁻¹
β = 103.435 (1)°	T = 293 K
V = 5497.8 (6) Å³	Block, colorless
Z = 4	0.32 × 0.16 × 0.10 mm

Data collection top

Bruker APEX-II CCD area-detector diffractometer	9710 independent reflections
Radiation source: fine-focus sealed tube	7548 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.037
φ and ω scans	θ_max = 25.0°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −16→12
T_min = 0.781, T_max = 1.000	k = −18→17
29568 measured reflections	l = −30→30

Refinement top

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)] = 0.027	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.059	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.019P)²] where P = (F_o² + 2F_c²)/3
9710 reflections	(Δ/σ)_max = 0.004
721 parameters	Δρ_max = 0.44 e Å⁻³
0 restraints	Δρ_min = −0.47 e Å⁻³

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

	x	y	z	U_iso*/U_eq
Tb1	0.739649 (13)	0.732794 (10)	0.835869 (7)	0.03574 (6)
Tb2	0.743346 (12)	0.709180 (10)	1.003043 (7)	0.03301 (6)
O1	0.7408 (2)	0.58817 (14)	0.86144 (10)	0.0495 (7)
O2	0.73949 (19)	0.59177 (14)	0.94700 (10)	0.0444 (6)
O3	0.60118 (19)	0.72029 (15)	0.86734 (11)	0.0501 (7)
O4	0.58441 (18)	0.71922 (15)	0.94998 (10)	0.0466 (6)
O5	0.90167 (19)	0.73182 (15)	0.99428 (11)	0.0494 (7)
O6	0.87108 (19)	0.73087 (15)	0.90641 (11)	0.0505 (7)
O7	0.73985 (19)	0.83968 (14)	0.95829 (10)	0.0459 (6)
O8	0.73133 (18)	0.87093 (14)	0.87364 (10)	0.0435 (6)
O9	0.6599 (2)	0.80590 (16)	1.05323 (10)	0.0476 (7)
O10	0.8124 (2)	0.77601 (17)	1.08835 (11)	0.0553 (7)
O11	0.8265 (2)	0.81328 (15)	0.78312 (10)	0.0505 (7)
O12	0.8740 (2)	0.67811 (16)	0.79902 (11)	0.0581 (8)
N1	0.6461 (2)	0.60795 (18)	1.04913 (12)	0.0419 (8)
N2	0.8375 (2)	0.58291 (18)	1.06010 (12)	0.0406 (7)
N3	0.6625 (3)	0.65180 (18)	0.74935 (12)	0.0469 (8)
N4	0.6008 (2)	0.81084 (18)	0.76694 (12)	0.0435 (8)
C1	0.8360 (3)	0.4473 (2)	1.10452 (16)	0.0558 (11)
H1	0.8014	0.4058	1.1186	0.067*
C2	0.9329 (3)	0.4359 (3)	1.10760 (19)	0.0708 (14)
H2	0.9649	0.3864	1.1232	0.085*
C3	0.9823 (3)	0.4993 (3)	1.08717 (19)	0.0736 (15)
H3	1.0485	0.4937	1.0890	0.088*
C4	0.9318 (3)	0.5712 (3)	1.06391 (17)	0.0584 (12)
H4	0.9657	0.6138	1.0502	0.070*
C5	0.7889 (3)	0.5212 (2)	1.08020 (14)	0.0384 (9)
C6	0.6836 (3)	0.5358 (2)	1.07453 (14)	0.0400 (9)
C7	0.5517 (3)	0.6238 (3)	1.04409 (16)	0.0528 (11)
H7	0.5261	0.6747	1.0272	0.063*
C8	0.4896 (3)	0.5688 (3)	1.06251 (18)	0.0614 (12)
H8	0.4237	0.5813	1.0576	0.074*
C9	0.5293 (4)	0.4947 (3)	1.08834 (19)	0.0702 (14)
H9	0.4903	0.4559	1.1015	0.084*
C10	0.6258 (3)	0.4786 (2)	1.09457 (18)	0.0602 (12)
H10	0.6531	0.4289	1.1124	0.072*
C11	0.5661 (3)	0.8871 (2)	0.77898 (17)	0.0592 (12)
H11	0.5984	0.9152	0.8098	0.071*
C12	0.4849 (4)	0.9261 (3)	0.74807 (19)	0.0702 (13)
H12	0.4622	0.9785	0.7584	0.084*
C13	0.4387 (4)	0.8871 (3)	0.70244 (19)	0.0798 (15)
H13	0.3843	0.9125	0.6806	0.096*
C14	0.4741 (4)	0.8089 (3)	0.68907 (18)	0.0700 (13)
H14	0.4437	0.7810	0.6578	0.084*
C15	0.5539 (3)	0.7724 (2)	0.72189 (15)	0.0434 (9)
C16	0.5931 (3)	0.6860 (2)	0.71102 (16)	0.0475 (10)
C17	0.5582 (3)	0.6434 (3)	0.66353 (17)	0.0654 (12)
H17	0.5112	0.6693	0.6369	0.078*
C18	0.5938 (4)	0.5625 (3)	0.6562 (2)	0.0758 (15)
H18	0.5712	0.5328	0.6246	0.091*
C19	0.6625 (4)	0.5265 (3)	0.6959 (2)	0.0704 (15)
H19	0.6860	0.4710	0.6922	0.084*
C20	0.6966 (4)	0.5734 (2)	0.74138 (18)	0.0639 (13)
H20	0.7456	0.5495	0.7678	0.077*
C21	0.7363 (3)	0.8197 (2)	1.08802 (15)	0.0418 (9)
C22	0.7382 (3)	0.8885 (2)	1.12868 (15)	0.0414 (9)
C23	0.8108 (3)	0.8918 (3)	1.17372 (17)	0.0585 (11)
H23	0.8601	0.8505	1.1792	0.070*
C24	0.8119 (4)	0.9554 (3)	1.21101 (19)	0.0784 (15)
H24	0.8605	0.9560	1.2421	0.094*
C25	0.7410 (5)	1.0179 (3)	1.2022 (2)	0.0806 (16)
H25	0.7425	1.0619	1.2269	0.097*
C26	0.6687 (4)	1.0161 (3)	1.1576 (2)	0.0700 (14)
H26	0.6209	1.0588	1.1520	0.084*
C27	0.6654 (3)	0.9512 (2)	1.12030 (16)	0.0548 (11)
H27	0.6152	0.9496	1.0900	0.066*
C28	0.7173 (2)	0.8888 (2)	0.91868 (14)	0.0351 (9)
C29	0.6705 (3)	0.9741 (2)	0.92581 (14)	0.0343 (8)
C30	0.6334 (3)	0.9877 (2)	0.96974 (15)	0.0483 (10)
H30	0.6382	0.9443	0.9951	0.058*
C31	0.5894 (3)	1.0654 (3)	0.97618 (18)	0.0632 (13)
H31	0.5641	1.0740	1.0058	0.076*
C32	0.5827 (3)	1.1297 (3)	0.9395 (2)	0.0665 (13)
H32	0.5535	1.1822	0.9443	0.080*
C33	0.6188 (3)	1.1170 (2)	0.89572 (17)	0.0577 (12)
H33	0.6135	1.1608	0.8706	0.069*
C34	0.6632 (3)	1.0393 (2)	0.88852 (15)	0.0440 (10)
H34	0.6880	1.0310	0.8587	0.053*
C35	0.9168 (3)	0.7571 (2)	0.95080 (18)	0.0425 (10)
C36	0.9940 (3)	0.8252 (2)	0.95261 (16)	0.0408 (9)
C37	1.0350 (3)	0.8663 (3)	0.99844 (18)	0.0669 (13)
H37	1.0176	0.8504	1.0295	0.080*
C38	1.1030 (4)	0.9318 (3)	0.9995 (2)	0.0951 (18)
H38	1.1302	0.9600	1.0312	0.114*
C39	1.1296 (4)	0.9548 (3)	0.9546 (2)	0.0833 (16)
H39	1.1752	0.9986	0.9555	0.100*
C40	1.0901 (3)	0.9143 (3)	0.9086 (2)	0.0724 (15)
H40	1.1083	0.9305	0.8777	0.087*
C41	1.0226 (3)	0.8489 (3)	0.90713 (17)	0.0558 (11)
H41	0.9963	0.8206	0.8754	0.067*
C42	0.8827 (3)	0.7509 (2)	0.77887 (15)	0.0450 (10)
C43	0.9599 (3)	0.7643 (2)	0.74889 (15)	0.0462 (10)
C44	0.9784 (3)	0.8457 (3)	0.73185 (17)	0.0648 (13)
H44	0.9444	0.8935	0.7400	0.078*
C45	1.0484 (4)	0.8561 (4)	0.70235 (19)	0.0835 (16)
H45	1.0615	0.9109	0.6906	0.100*
C46	1.0983 (4)	0.7841 (4)	0.6907 (2)	0.0859 (17)
H46	1.1442	0.7905	0.6705	0.103*
C47	1.0807 (4)	0.7042 (4)	0.7085 (2)	0.0812 (16)
H47	1.1150	0.6562	0.7009	0.097*
C48	1.0123 (3)	0.6943 (3)	0.73772 (18)	0.0618 (12)
H48	1.0011	0.6396	0.7502	0.074*
C49	0.7460 (3)	0.5528 (2)	0.90558 (16)	0.0378 (9)
C50	0.7614 (2)	0.4564 (2)	0.90836 (15)	0.0371 (9)
C51	0.7502 (3)	0.4073 (2)	0.86289 (17)	0.0572 (11)
H51	0.7306	0.4339	0.8300	0.069*
C52	0.7677 (4)	0.3191 (3)	0.8659 (2)	0.0741 (14)
H52	0.7601	0.2864	0.8351	0.089*
C53	0.7964 (4)	0.2801 (3)	0.9143 (2)	0.0764 (15)
H53	0.8082	0.2207	0.9163	0.092*
C54	0.8078 (4)	0.3271 (3)	0.95925 (19)	0.0732 (14)
H54	0.8279	0.3003	0.9921	0.088*
C55	0.7894 (3)	0.4150 (2)	0.95609 (17)	0.0542 (11)
H55	0.7961	0.4469	0.9871	0.065*
C56	0.5514 (3)	0.7250 (2)	0.90131 (15)	0.0361 (9)
C57	0.4446 (3)	0.7382 (2)	0.88191 (15)	0.0391 (9)
C58	0.3876 (3)	0.7594 (2)	0.91676 (17)	0.0486 (10)
H58	0.4162	0.7663	0.9526	0.058*
C59	0.2880 (3)	0.7704 (3)	0.8984 (2)	0.0610 (12)
H59	0.2498	0.7845	0.9220	0.073*
C60	0.2460 (3)	0.7603 (3)	0.8455 (2)	0.0692 (14)
H60	0.1794	0.7688	0.8331	0.083*
C61	0.3018 (3)	0.7380 (3)	0.8109 (2)	0.0674 (13)
H61	0.2727	0.7292	0.7753	0.081*
C62	0.4013 (3)	0.7284 (2)	0.82877 (17)	0.0504 (10)
H62	0.4392	0.7152	0.8049	0.060*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Tb1	0.04147 (12)	0.03175 (9)	0.03625 (11)	0.00242 (8)	0.01359 (9)	−0.00004 (7)
Tb2	0.03199 (11)	0.03449 (9)	0.03248 (11)	0.00007 (7)	0.00734 (8)	0.00306 (7)
O1	0.071 (2)	0.0362 (14)	0.0445 (17)	−0.0006 (13)	0.0190 (15)	0.0026 (12)
O2	0.0544 (17)	0.0355 (13)	0.0438 (17)	0.0044 (12)	0.0125 (14)	−0.0038 (12)
O3	0.0420 (17)	0.0605 (17)	0.0508 (18)	0.0027 (13)	0.0169 (14)	0.0060 (13)
O4	0.0366 (15)	0.0601 (16)	0.0390 (17)	0.0036 (13)	0.0005 (13)	0.0029 (13)
O5	0.0381 (16)	0.0534 (15)	0.0577 (19)	−0.0026 (13)	0.0131 (14)	0.0178 (13)
O6	0.0439 (17)	0.0509 (16)	0.0519 (19)	−0.0019 (13)	0.0017 (15)	−0.0041 (13)
O7	0.0545 (17)	0.0385 (14)	0.0473 (17)	0.0069 (12)	0.0171 (14)	0.0109 (12)
O8	0.0561 (17)	0.0377 (13)	0.0377 (16)	0.0056 (12)	0.0129 (13)	−0.0039 (11)
O9	0.0489 (18)	0.0538 (15)	0.0408 (17)	0.0036 (14)	0.0116 (14)	−0.0056 (13)
O10	0.0521 (19)	0.0638 (18)	0.0451 (18)	0.0111 (15)	0.0016 (14)	−0.0085 (13)
O11	0.0585 (18)	0.0439 (15)	0.0578 (19)	0.0100 (14)	0.0311 (15)	0.0065 (13)
O12	0.066 (2)	0.0451 (15)	0.072 (2)	0.0110 (14)	0.0349 (17)	0.0049 (14)
N1	0.0357 (19)	0.0457 (18)	0.046 (2)	−0.0027 (15)	0.0125 (16)	0.0065 (15)
N2	0.0327 (19)	0.0461 (18)	0.042 (2)	−0.0006 (15)	0.0059 (15)	0.0077 (14)
N3	0.068 (2)	0.0340 (17)	0.043 (2)	−0.0009 (16)	0.0207 (19)	−0.0028 (15)
N4	0.052 (2)	0.0394 (17)	0.038 (2)	−0.0001 (15)	0.0074 (16)	−0.0003 (14)
C1	0.058 (3)	0.044 (2)	0.063 (3)	0.002 (2)	0.009 (2)	0.015 (2)
C2	0.062 (3)	0.059 (3)	0.090 (4)	0.022 (2)	0.015 (3)	0.028 (3)
C3	0.043 (3)	0.075 (3)	0.102 (4)	0.014 (2)	0.015 (3)	0.035 (3)
C4	0.038 (3)	0.064 (3)	0.072 (3)	0.002 (2)	0.011 (2)	0.023 (2)
C5	0.038 (2)	0.038 (2)	0.037 (2)	−0.0048 (17)	0.0052 (18)	0.0006 (16)
C6	0.048 (3)	0.034 (2)	0.039 (2)	−0.0065 (18)	0.012 (2)	0.0015 (16)
C7	0.043 (3)	0.060 (3)	0.058 (3)	0.005 (2)	0.015 (2)	0.011 (2)
C8	0.042 (3)	0.074 (3)	0.075 (3)	−0.009 (2)	0.029 (2)	−0.003 (3)
C9	0.066 (3)	0.057 (3)	0.098 (4)	−0.016 (3)	0.040 (3)	0.006 (3)
C10	0.058 (3)	0.042 (2)	0.086 (4)	−0.006 (2)	0.027 (3)	0.009 (2)
C11	0.075 (3)	0.046 (2)	0.048 (3)	0.015 (2)	−0.004 (2)	−0.004 (2)
C12	0.084 (4)	0.049 (3)	0.069 (4)	0.015 (3)	0.002 (3)	0.004 (2)
C13	0.093 (4)	0.068 (3)	0.060 (3)	0.012 (3)	−0.020 (3)	0.007 (3)
C14	0.092 (4)	0.063 (3)	0.043 (3)	−0.007 (3)	−0.009 (3)	0.000 (2)
C15	0.052 (3)	0.046 (2)	0.031 (2)	−0.006 (2)	0.0063 (19)	0.0011 (18)
C16	0.060 (3)	0.044 (2)	0.044 (3)	−0.016 (2)	0.023 (2)	−0.0068 (19)
C17	0.073 (3)	0.075 (3)	0.049 (3)	−0.014 (3)	0.015 (2)	−0.017 (2)
C18	0.084 (4)	0.083 (4)	0.067 (4)	−0.030 (3)	0.031 (3)	−0.040 (3)
C19	0.106 (4)	0.046 (3)	0.077 (4)	−0.019 (3)	0.057 (4)	−0.018 (2)
C20	0.099 (4)	0.043 (2)	0.060 (3)	0.000 (2)	0.040 (3)	−0.010 (2)
C21	0.053 (3)	0.041 (2)	0.034 (2)	0.001 (2)	0.016 (2)	0.0062 (17)
C22	0.051 (3)	0.041 (2)	0.036 (2)	−0.0056 (19)	0.017 (2)	0.0033 (17)
C23	0.062 (3)	0.062 (3)	0.050 (3)	−0.007 (2)	0.010 (2)	−0.011 (2)
C24	0.086 (4)	0.085 (4)	0.059 (3)	−0.020 (3)	0.005 (3)	−0.027 (3)
C25	0.122 (5)	0.053 (3)	0.069 (4)	−0.015 (3)	0.027 (4)	−0.025 (3)
C26	0.093 (4)	0.053 (3)	0.070 (4)	0.006 (3)	0.031 (3)	−0.006 (2)
C27	0.073 (3)	0.050 (2)	0.045 (3)	−0.002 (2)	0.023 (2)	0.003 (2)
C28	0.032 (2)	0.0313 (19)	0.041 (2)	−0.0048 (16)	0.0057 (19)	−0.0018 (17)
C29	0.033 (2)	0.0308 (18)	0.038 (2)	−0.0036 (15)	0.0061 (18)	−0.0055 (15)
C30	0.057 (3)	0.045 (2)	0.047 (3)	0.007 (2)	0.019 (2)	0.0022 (18)
C31	0.076 (3)	0.058 (3)	0.064 (3)	0.011 (2)	0.032 (3)	−0.009 (2)
C32	0.070 (3)	0.041 (2)	0.090 (4)	0.014 (2)	0.022 (3)	−0.010 (2)
C33	0.068 (3)	0.037 (2)	0.065 (3)	0.011 (2)	0.010 (3)	0.015 (2)
C34	0.052 (3)	0.037 (2)	0.042 (2)	−0.0012 (18)	0.009 (2)	−0.0004 (17)
C35	0.032 (2)	0.037 (2)	0.060 (3)	0.0080 (17)	0.012 (2)	0.011 (2)
C36	0.034 (2)	0.038 (2)	0.050 (3)	0.0022 (17)	0.008 (2)	0.0086 (18)
C37	0.062 (3)	0.078 (3)	0.059 (3)	−0.024 (3)	0.011 (3)	0.010 (3)
C38	0.090 (4)	0.105 (4)	0.082 (4)	−0.052 (4)	0.004 (3)	0.001 (3)
C39	0.056 (3)	0.080 (3)	0.109 (5)	−0.026 (3)	0.009 (3)	0.028 (3)
C40	0.055 (3)	0.079 (3)	0.091 (4)	0.001 (3)	0.033 (3)	0.039 (3)
C41	0.050 (3)	0.064 (3)	0.055 (3)	−0.002 (2)	0.016 (2)	0.011 (2)
C42	0.053 (3)	0.048 (2)	0.036 (2)	0.003 (2)	0.014 (2)	−0.0005 (18)
C43	0.043 (2)	0.061 (2)	0.036 (2)	0.002 (2)	0.0116 (19)	−0.0049 (19)
C44	0.067 (3)	0.074 (3)	0.061 (3)	0.002 (3)	0.031 (3)	0.012 (2)
C45	0.076 (4)	0.115 (4)	0.065 (4)	−0.020 (3)	0.025 (3)	0.019 (3)
C46	0.058 (3)	0.145 (5)	0.061 (4)	−0.007 (4)	0.026 (3)	−0.010 (4)
C47	0.057 (3)	0.119 (4)	0.077 (4)	−0.005 (3)	0.033 (3)	−0.036 (3)
C48	0.053 (3)	0.074 (3)	0.062 (3)	−0.004 (2)	0.022 (2)	−0.019 (2)
C49	0.032 (2)	0.0330 (19)	0.050 (3)	−0.0045 (16)	0.0120 (19)	−0.0008 (18)
C50	0.029 (2)	0.0350 (19)	0.049 (3)	−0.0026 (16)	0.0113 (18)	−0.0016 (18)
C51	0.067 (3)	0.043 (2)	0.057 (3)	0.005 (2)	0.006 (2)	0.001 (2)
C52	0.099 (4)	0.041 (3)	0.080 (4)	0.002 (3)	0.015 (3)	−0.019 (2)
C53	0.094 (4)	0.033 (2)	0.101 (5)	0.009 (2)	0.021 (3)	0.000 (3)
C54	0.104 (4)	0.044 (3)	0.069 (4)	0.012 (3)	0.015 (3)	0.015 (2)
C55	0.067 (3)	0.042 (2)	0.055 (3)	0.004 (2)	0.015 (2)	−0.0009 (19)
C56	0.035 (2)	0.0304 (18)	0.043 (3)	0.0003 (16)	0.0090 (19)	0.0028 (16)
C57	0.038 (2)	0.0336 (19)	0.044 (2)	−0.0006 (17)	0.0074 (19)	0.0046 (17)
C58	0.046 (3)	0.047 (2)	0.053 (3)	0.005 (2)	0.013 (2)	0.0032 (19)
C59	0.040 (3)	0.063 (3)	0.082 (4)	0.007 (2)	0.020 (3)	0.010 (2)
C60	0.035 (3)	0.058 (3)	0.106 (5)	0.007 (2)	−0.001 (3)	0.017 (3)
C61	0.048 (3)	0.080 (3)	0.063 (3)	−0.003 (3)	−0.011 (3)	0.005 (3)
C62	0.049 (3)	0.054 (2)	0.047 (3)	−0.003 (2)	0.007 (2)	0.001 (2)

Geometric parameters (Å, º) top

Tb1—O6	2.286 (3)	C21—C22	1.491 (5)
Tb1—O3	2.298 (2)	C22—C23	1.366 (5)
Tb1—O1	2.323 (2)	C22—C27	1.391 (5)
Tb1—O8	2.357 (2)	C23—C24	1.374 (5)
Tb1—O11	2.387 (2)	C23—H23	0.9300
Tb1—O12	2.465 (2)	C24—C25	1.370 (7)
Tb1—N3	2.579 (3)	C24—H24	0.9300
Tb1—N4	2.621 (3)	C25—C26	1.355 (7)
Tb1—C42	2.783 (4)	C25—H25	0.9300
Tb2—O2	2.314 (2)	C26—C27	1.385 (5)
Tb2—O7	2.316 (2)	C26—H26	0.9300
Tb2—O5	2.328 (2)	C27—H27	0.9300
Tb2—O4	2.352 (3)	C28—C29	1.502 (4)
Tb2—O10	2.432 (3)	C29—C30	1.377 (4)
Tb2—O9	2.454 (2)	C29—C34	1.382 (5)
Tb2—N1	2.552 (3)	C30—C31	1.376 (5)
Tb2—N2	2.614 (3)	C30—H30	0.9300
Tb2—C21	2.807 (4)	C31—C32	1.362 (6)
O1—C49	1.256 (4)	C31—H31	0.9300
O2—C49	1.254 (4)	C32—C33	1.363 (5)
O3—C56	1.252 (4)	C32—H32	0.9300
O4—C56	1.244 (4)	C33—C34	1.383 (5)
O5—C35	1.258 (4)	C33—H33	0.9300
O6—C35	1.250 (5)	C34—H34	0.9300
O7—C28	1.256 (4)	C35—C36	1.506 (5)
O8—C28	1.261 (4)	C36—C37	1.353 (5)
O9—C21	1.255 (5)	C36—C41	1.383 (5)
O10—C21	1.268 (4)	C37—C38	1.389 (6)
O11—C42	1.268 (4)	C37—H37	0.9300
O12—C42	1.255 (4)	C38—C39	1.353 (7)
N1—C7	1.334 (4)	C38—H38	0.9300
N1—C6	1.338 (4)	C39—C40	1.349 (7)
N2—C4	1.326 (5)	C39—H39	0.9300
N2—C5	1.347 (4)	C40—C41	1.383 (6)
N3—C20	1.333 (4)	C40—H40	0.9300
N3—C16	1.334 (5)	C41—H41	0.9300
N4—C11	1.338 (4)	C42—C43	1.495 (5)
N4—C15	1.341 (5)	C43—C44	1.374 (5)
C1—C2	1.366 (5)	C43—C48	1.376 (5)
C1—C5	1.394 (5)	C44—C45	1.395 (6)
C1—H1	0.9300	C44—H44	0.9300
C2—C3	1.376 (5)	C45—C46	1.385 (6)
C2—H2	0.9300	C45—H45	0.9300
C3—C4	1.379 (5)	C46—C47	1.358 (7)
C3—H3	0.9300	C46—H46	0.9300
C4—H4	0.9300	C47—C48	1.368 (6)
C5—C6	1.478 (5)	C47—H47	0.9300
C6—C10	1.382 (5)	C48—H48	0.9300
C7—C8	1.383 (5)	C49—C50	1.499 (5)
C7—H7	0.9300	C50—C55	1.368 (5)
C8—C9	1.375 (6)	C50—C51	1.380 (5)
C8—H8	0.9300	C51—C52	1.379 (5)
C9—C10	1.359 (6)	C51—H51	0.9300
C9—H9	0.9300	C52—C53	1.367 (6)
C10—H10	0.9300	C52—H52	0.9300
C11—C12	1.376 (6)	C53—C54	1.350 (6)
C11—H11	0.9300	C53—H53	0.9300
C12—C13	1.353 (6)	C54—C55	1.377 (5)
C12—H12	0.9300	C54—H54	0.9300
C13—C14	1.380 (6)	C55—H55	0.9300
C13—H13	0.9300	C56—C57	1.491 (5)
C14—C15	1.367 (6)	C57—C62	1.381 (5)
C14—H14	0.9300	C57—C58	1.383 (5)
C15—C16	1.492 (5)	C58—C59	1.388 (6)
C16—C17	1.382 (5)	C58—H58	0.9300
C17—C18	1.374 (6)	C59—C60	1.374 (6)
C17—H17	0.9300	C59—H59	0.9300
C18—C19	1.358 (7)	C60—C61	1.369 (6)
C18—H18	0.9300	C60—H60	0.9300
C19—C20	1.374 (6)	C61—C62	1.383 (6)
C19—H19	0.9300	C61—H61	0.9300
C20—H20	0.9300	C62—H62	0.9300

O6—Tb1—O3	108.36 (10)	C18—C17—C16	119.2 (5)
O6—Tb1—O1	78.94 (9)	C18—C17—H17	120.4
O3—Tb1—O1	76.59 (9)	C16—C17—H17	120.4
O6—Tb1—O8	77.77 (9)	C19—C18—C17	119.1 (5)
O3—Tb1—O8	78.39 (8)	C19—C18—H18	120.4
O1—Tb1—O8	138.09 (9)	C17—C18—H18	120.4
O6—Tb1—O11	92.05 (10)	C18—C19—C20	118.9 (4)
O3—Tb1—O11	147.30 (9)	C18—C19—H19	120.5
O1—Tb1—O11	133.73 (8)	C20—C19—H19	120.5
O8—Tb1—O11	81.49 (8)	N3—C20—C19	122.8 (5)
O6—Tb1—O12	75.55 (10)	N3—C20—H20	118.6
O3—Tb1—O12	154.99 (9)	C19—C20—H20	118.6
O1—Tb1—O12	80.12 (9)	O9—C21—O10	120.2 (3)
O8—Tb1—O12	125.97 (9)	O9—C21—C22	120.0 (4)
O11—Tb1—O12	53.81 (8)	O10—C21—C22	119.8 (4)
O6—Tb1—N3	142.36 (10)	O9—C21—Tb2	60.88 (19)
O3—Tb1—N3	92.66 (10)	O10—C21—Tb2	59.88 (19)
O1—Tb1—N3	76.04 (9)	C22—C21—Tb2	171.6 (2)
O8—Tb1—N3	138.33 (9)	C23—C22—C27	119.3 (4)
O11—Tb1—N3	85.48 (9)	C23—C22—C21	121.3 (4)
O12—Tb1—N3	72.82 (10)	C27—C22—C21	119.4 (4)
O6—Tb1—N4	153.30 (9)	C22—C23—C24	120.9 (4)
O3—Tb1—N4	73.53 (9)	C22—C23—H23	119.6
O1—Tb1—N4	126.11 (10)	C24—C23—H23	119.6
O8—Tb1—N4	76.60 (9)	C25—C24—C23	119.6 (5)
O11—Tb1—N4	76.91 (9)	C25—C24—H24	120.2
O12—Tb1—N4	114.46 (9)	C23—C24—H24	120.2
N3—Tb1—N4	61.91 (10)	C26—C25—C24	120.4 (4)
O6—Tb1—C42	82.62 (11)	C26—C25—H25	119.8
O3—Tb1—C42	169.00 (11)	C24—C25—H25	119.8
O1—Tb1—C42	106.86 (10)	C25—C26—C27	120.5 (5)
O8—Tb1—C42	104.10 (10)	C25—C26—H26	119.7
O11—Tb1—C42	27.03 (9)	C27—C26—H26	119.7
O12—Tb1—C42	26.79 (9)	C26—C27—C22	119.3 (4)
N3—Tb1—C42	78.33 (10)	C26—C27—H27	120.4
N4—Tb1—C42	96.46 (11)	C22—C27—H27	120.4
O2—Tb2—O7	111.59 (9)	O7—C28—O8	124.3 (3)
O2—Tb2—O5	86.46 (9)	O7—C28—C29	117.4 (3)
O7—Tb2—O5	74.34 (8)	O8—C28—C29	118.3 (3)
O2—Tb2—O4	78.65 (9)	C30—C29—C34	119.3 (3)
O7—Tb2—O4	75.10 (9)	C30—C29—C28	119.9 (3)
O5—Tb2—O4	137.92 (9)	C34—C29—C28	120.8 (3)
O2—Tb2—O10	148.14 (9)	C31—C30—C29	120.2 (4)
O7—Tb2—O10	92.69 (9)	C31—C30—H30	119.9
O5—Tb2—O10	80.43 (10)	C29—C30—H30	119.9
O4—Tb2—O10	129.24 (9)	C32—C31—C30	120.5 (4)
O2—Tb2—O9	149.79 (9)	C32—C31—H31	119.8
O7—Tb2—O9	77.46 (8)	C30—C31—H31	119.8
O5—Tb2—O9	123.56 (9)	C31—C32—C33	120.0 (4)
O4—Tb2—O9	76.07 (9)	C31—C32—H32	120.0
O10—Tb2—O9	53.17 (9)	C33—C32—H32	120.0
O2—Tb2—N1	83.16 (9)	C32—C33—C34	120.4 (4)
O7—Tb2—N1	144.49 (9)	C32—C33—H33	119.8
O5—Tb2—N1	140.53 (9)	C34—C33—H33	119.8
O4—Tb2—N1	76.68 (9)	C29—C34—C33	119.7 (4)
O10—Tb2—N1	88.72 (9)	C29—C34—H34	120.1
O9—Tb2—N1	75.17 (9)	C33—C34—H34	120.1
O2—Tb2—N2	73.11 (9)	O6—C35—O5	124.6 (4)
O7—Tb2—N2	151.46 (9)	O6—C35—C36	118.0 (3)
O5—Tb2—N2	78.00 (9)	O5—C35—C36	117.4 (4)
O4—Tb2—N2	132.25 (9)	C37—C36—C41	118.5 (4)
O10—Tb2—N2	75.80 (9)	C37—C36—C35	120.8 (4)
O9—Tb2—N2	113.27 (9)	C41—C36—C35	120.7 (4)
N1—Tb2—N2	62.54 (9)	C36—C37—C38	120.7 (4)
O2—Tb2—C21	165.57 (9)	C36—C37—H37	119.6
O7—Tb2—C21	82.39 (9)	C38—C37—H37	119.6
O5—Tb2—C21	101.33 (11)	C39—C38—C37	120.1 (5)
O4—Tb2—C21	102.54 (11)	C39—C38—H38	119.9
O10—Tb2—C21	26.80 (10)	C37—C38—H38	119.9
O9—Tb2—C21	26.54 (10)	C40—C39—C38	120.1 (5)
N1—Tb2—C21	83.15 (10)	C40—C39—H39	119.9
N2—Tb2—C21	96.44 (10)	C38—C39—H39	119.9
C49—O1—Tb1	132.2 (2)	C39—C40—C41	120.1 (4)
C49—O2—Tb2	156.7 (2)	C39—C40—H40	119.9
C56—O3—Tb1	155.6 (3)	C41—C40—H40	119.9
C56—O4—Tb2	133.0 (2)	C40—C41—C36	120.4 (4)
C35—O5—Tb2	120.1 (3)	C40—C41—H41	119.8
C35—O6—Tb1	152.2 (2)	C36—C41—H41	119.8
C28—O7—Tb2	154.8 (2)	O12—C42—O11	121.1 (3)
C28—O8—Tb1	128.1 (2)	O12—C42—C43	119.7 (3)
C21—O9—Tb2	92.6 (2)	O11—C42—C43	119.3 (3)
C21—O10—Tb2	93.3 (2)	O12—C42—Tb1	62.30 (19)
C42—O11—Tb1	94.2 (2)	O11—C42—Tb1	58.81 (18)
C42—O12—Tb1	90.9 (2)	C43—C42—Tb1	177.7 (3)
C7—N1—C6	118.2 (3)	C44—C43—C48	119.6 (4)
C7—N1—Tb2	118.6 (2)	C44—C43—C42	120.7 (3)
C6—N1—Tb2	122.9 (2)	C48—C43—C42	119.7 (4)
C4—N2—C5	118.0 (3)	C43—C44—C45	119.6 (4)
C4—N2—Tb2	120.9 (2)	C43—C44—H44	120.2
C5—N2—Tb2	120.4 (2)	C45—C44—H44	120.2
C20—N3—C16	118.2 (4)	C46—C45—C44	119.4 (5)
C20—N3—Tb1	118.6 (3)	C46—C45—H45	120.3
C16—N3—Tb1	123.2 (2)	C44—C45—H45	120.3
C11—N4—C15	117.2 (4)	C47—C46—C45	120.5 (5)
C11—N4—Tb1	120.0 (3)	C47—C46—H46	119.7
C15—N4—Tb1	122.2 (2)	C45—C46—H46	119.7
C2—C1—C5	119.9 (4)	C46—C47—C48	119.9 (5)
C2—C1—H1	120.1	C46—C47—H47	120.0
C5—C1—H1	120.1	C48—C47—H47	120.0
C1—C2—C3	118.7 (4)	C47—C48—C43	121.0 (5)
C1—C2—H2	120.7	C47—C48—H48	119.5
C3—C2—H2	120.7	C43—C48—H48	119.5
C2—C3—C4	118.7 (4)	O2—C49—O1	125.1 (3)
C2—C3—H3	120.6	O2—C49—C50	118.1 (3)
C4—C3—H3	120.6	O1—C49—C50	116.8 (3)
N2—C4—C3	123.4 (4)	C55—C50—C51	118.1 (3)
N2—C4—H4	118.3	C55—C50—C49	120.9 (3)
C3—C4—H4	118.3	C51—C50—C49	121.0 (3)
N2—C5—C1	121.3 (3)	C52—C51—C50	120.5 (4)
N2—C5—C6	116.6 (3)	C52—C51—H51	119.7
C1—C5—C6	122.2 (3)	C50—C51—H51	119.7
N1—C6—C10	120.9 (4)	C53—C52—C51	119.7 (4)
N1—C6—C5	116.7 (3)	C53—C52—H52	120.2
C10—C6—C5	122.4 (3)	C51—C52—H52	120.2
N1—C7—C8	123.8 (4)	C54—C53—C52	120.7 (4)
N1—C7—H7	118.1	C54—C53—H53	119.7
C8—C7—H7	118.1	C52—C53—H53	119.7
C9—C8—C7	117.2 (4)	C53—C54—C55	119.5 (4)
C9—C8—H8	121.4	C53—C54—H54	120.3
C7—C8—H8	121.4	C55—C54—H54	120.3
C10—C9—C8	119.7 (4)	C50—C55—C54	121.5 (4)
C10—C9—H9	120.2	C50—C55—H55	119.2
C8—C9—H9	120.2	C54—C55—H55	119.2
C9—C10—C6	120.2 (4)	O4—C56—O3	124.9 (4)
C9—C10—H10	119.9	O4—C56—C57	117.7 (3)
C6—C10—H10	119.9	O3—C56—C57	117.5 (4)
N4—C11—C12	123.3 (4)	C62—C57—C58	119.3 (4)
N4—C11—H11	118.4	C62—C57—C56	120.1 (3)
C12—C11—H11	118.4	C58—C57—C56	120.6 (4)
C13—C12—C11	119.0 (4)	C57—C58—C59	120.2 (4)
C13—C12—H12	120.5	C57—C58—H58	119.9
C11—C12—H12	120.5	C59—C58—H58	119.9
C12—C13—C14	118.6 (5)	C60—C59—C58	119.9 (4)
C12—C13—H13	120.7	C60—C59—H59	120.1
C14—C13—H13	120.7	C58—C59—H59	120.1
C15—C14—C13	119.8 (4)	C61—C60—C59	120.2 (4)
C15—C14—H14	120.1	C61—C60—H60	119.9
C13—C14—H14	120.1	C59—C60—H60	119.9
N4—C15—C14	122.1 (4)	C60—C61—C62	120.2 (5)
N4—C15—C16	115.4 (4)	C60—C61—H61	119.9
C14—C15—C16	122.5 (4)	C62—C61—H61	119.9
N3—C16—C17	121.7 (4)	C57—C62—C61	120.2 (4)
N3—C16—C15	116.9 (3)	C57—C62—H62	119.9
C17—C16—C15	121.4 (4)	C61—C62—H62	119.9

O6—Tb1—O1—C49	49.5 (3)	Tb2—N1—C7—C8	173.1 (3)
O3—Tb1—O1—C49	−62.6 (3)	N1—C7—C8—C9	1.4 (7)
O8—Tb1—O1—C49	−7.7 (4)	C7—C8—C9—C10	−0.1 (7)
O11—Tb1—O1—C49	131.7 (3)	C8—C9—C10—C6	−0.8 (7)
O12—Tb1—O1—C49	126.6 (3)	N1—C6—C10—C9	0.5 (6)
N3—Tb1—O1—C49	−158.8 (3)	C5—C6—C10—C9	−180.0 (4)
N4—Tb1—O1—C49	−120.3 (3)	C15—N4—C11—C12	1.1 (6)
C42—Tb1—O1—C49	128.2 (3)	Tb1—N4—C11—C12	−170.9 (3)
O7—Tb2—O2—C49	15.3 (7)	N4—C11—C12—C13	−1.7 (7)
O5—Tb2—O2—C49	−56.3 (6)	C11—C12—C13—C14	0.9 (8)
O4—Tb2—O2—C49	84.1 (6)	C12—C13—C14—C15	0.3 (7)
O10—Tb2—O2—C49	−121.8 (6)	C11—N4—C15—C14	0.2 (6)
O9—Tb2—O2—C49	117.8 (6)	Tb1—N4—C15—C14	172.0 (3)
N1—Tb2—O2—C49	161.8 (6)	C11—N4—C15—C16	−177.9 (3)
N2—Tb2—O2—C49	−134.8 (6)	Tb1—N4—C15—C16	−6.1 (4)
C21—Tb2—O2—C49	−179.6 (6)	C13—C14—C15—N4	−0.9 (7)
O6—Tb1—O3—C56	21.4 (6)	C13—C14—C15—C16	177.1 (4)
O1—Tb1—O3—C56	94.7 (5)	C20—N3—C16—C17	−1.7 (6)
O8—Tb1—O3—C56	−51.4 (5)	Tb1—N3—C16—C17	175.2 (3)
O11—Tb1—O3—C56	−104.5 (5)	C20—N3—C16—C15	177.9 (3)
O12—Tb1—O3—C56	116.6 (5)	Tb1—N3—C16—C15	−5.2 (4)
N3—Tb1—O3—C56	169.7 (5)	N4—C15—C16—N3	7.2 (5)
N4—Tb1—O3—C56	−130.7 (5)	C14—C15—C16—N3	−170.9 (4)
C42—Tb1—O3—C56	−155.6 (6)	N4—C15—C16—C17	−173.2 (3)
O2—Tb2—O4—C56	−56.4 (3)	C14—C15—C16—C17	8.7 (6)
O7—Tb2—O4—C56	59.8 (3)	N3—C16—C17—C18	2.1 (6)
O5—Tb2—O4—C56	15.2 (4)	C15—C16—C17—C18	−177.4 (4)
O10—Tb2—O4—C56	140.9 (3)	C16—C17—C18—C19	−0.1 (7)
O9—Tb2—O4—C56	140.3 (3)	C17—C18—C19—C20	−2.2 (7)
N1—Tb2—O4—C56	−141.9 (3)	C16—N3—C20—C19	−0.7 (6)
N2—Tb2—O4—C56	−110.8 (3)	Tb1—N3—C20—C19	−177.8 (3)
C21—Tb2—O4—C56	138.3 (3)	C18—C19—C20—N3	2.7 (7)
O2—Tb2—O5—C35	69.1 (3)	Tb2—O9—C21—O10	−8.8 (4)
O7—Tb2—O5—C35	−44.5 (3)	Tb2—O9—C21—C22	170.4 (3)
O4—Tb2—O5—C35	0.4 (3)	Tb2—O10—C21—O9	8.9 (4)
O10—Tb2—O5—C35	−140.0 (3)	Tb2—O10—C21—C22	−170.3 (3)
O9—Tb2—O5—C35	−107.3 (3)	O2—Tb2—C21—O9	−88.9 (5)
N1—Tb2—O5—C35	143.9 (2)	O7—Tb2—C21—O9	77.1 (2)
N2—Tb2—O5—C35	142.6 (3)	O5—Tb2—C21—O9	149.4 (2)
C21—Tb2—O5—C35	−123.1 (3)	O4—Tb2—C21—O9	4.3 (2)
O3—Tb1—O6—C35	−51.0 (5)	O10—Tb2—C21—O9	−171.2 (4)
O1—Tb1—O6—C35	−122.8 (5)	N1—Tb2—C21—O9	−70.3 (2)
O8—Tb1—O6—C35	22.2 (5)	N2—Tb2—C21—O9	−131.6 (2)
O11—Tb1—O6—C35	103.0 (5)	O2—Tb2—C21—O10	82.3 (5)
O12—Tb1—O6—C35	154.7 (5)	O7—Tb2—C21—O10	−111.7 (2)
N3—Tb1—O6—C35	−171.7 (5)	O5—Tb2—C21—O10	−39.4 (2)
N4—Tb1—O6—C35	38.7 (6)	O4—Tb2—C21—O10	175.5 (2)
C42—Tb1—O6—C35	128.4 (5)	O9—Tb2—C21—O10	171.2 (4)
O2—Tb2—O7—C28	30.4 (5)	N1—Tb2—C21—O10	100.8 (2)
O5—Tb2—O7—C28	110.1 (5)	N2—Tb2—C21—O10	39.6 (2)
O4—Tb2—O7—C28	−40.6 (5)	O2—Tb2—C21—C22	172.6 (18)
O10—Tb2—O7—C28	−170.6 (5)	O7—Tb2—C21—C22	−21 (2)
O9—Tb2—O7—C28	−119.3 (5)	O5—Tb2—C21—C22	51 (2)
N1—Tb2—O7—C28	−79.1 (5)	O4—Tb2—C21—C22	−94 (2)
N2—Tb2—O7—C28	124.7 (5)	O10—Tb2—C21—C22	90 (2)
C21—Tb2—O7—C28	−145.8 (5)	O9—Tb2—C21—C22	−99 (2)
O6—Tb1—O8—C28	−64.1 (3)	N1—Tb2—C21—C22	−169 (2)
O3—Tb1—O8—C28	47.8 (3)	N2—Tb2—C21—C22	130 (2)
O1—Tb1—O8—C28	−6.5 (4)	O9—C21—C22—C23	164.4 (4)
O11—Tb1—O8—C28	−158.1 (3)	O10—C21—C22—C23	−16.4 (5)
O12—Tb1—O8—C28	−125.9 (3)	Tb2—C21—C22—C23	−102 (2)
N3—Tb1—O8—C28	128.6 (3)	O9—C21—C22—C27	−16.5 (5)
N4—Tb1—O8—C28	123.4 (3)	O10—C21—C22—C27	162.7 (3)
C42—Tb1—O8—C28	−143.2 (3)	Tb2—C21—C22—C27	77 (2)
O2—Tb2—O9—C21	150.3 (2)	C27—C22—C23—C24	0.9 (6)
O7—Tb2—O9—C21	−98.1 (2)	C21—C22—C23—C24	−180.0 (4)
O5—Tb2—O9—C21	−36.8 (2)	C22—C23—C24—C25	−2.0 (7)
O4—Tb2—O9—C21	−175.7 (2)	C23—C24—C25—C26	1.6 (8)
O10—Tb2—O9—C21	5.0 (2)	C24—C25—C26—C27	0.0 (8)
N1—Tb2—O9—C21	104.7 (2)	C25—C26—C27—C22	−1.1 (6)
N2—Tb2—O9—C21	54.0 (2)	C23—C22—C27—C26	0.6 (6)
O2—Tb2—O10—C21	−152.1 (2)	C21—C22—C27—C26	−178.5 (3)
O7—Tb2—O10—C21	67.2 (2)	Tb2—O7—C28—O8	−50.7 (7)
O5—Tb2—O10—C21	140.8 (2)	Tb2—O7—C28—C29	129.2 (4)
O4—Tb2—O10—C21	−5.7 (3)	Tb1—O8—C28—O7	27.4 (5)
O9—Tb2—O10—C21	−4.9 (2)	Tb1—O8—C28—C29	−152.5 (2)
N1—Tb2—O10—C21	−77.3 (2)	O7—C28—C29—C30	−15.0 (5)
N2—Tb2—O10—C21	−139.2 (2)	O8—C28—C29—C30	164.9 (3)
O6—Tb1—O11—C42	69.3 (2)	O7—C28—C29—C34	165.5 (3)
O3—Tb1—O11—C42	−160.9 (2)	O8—C28—C29—C34	−14.6 (5)
O1—Tb1—O11—C42	−7.3 (3)	C34—C29—C30—C31	0.2 (6)
O8—Tb1—O11—C42	146.6 (2)	C28—C29—C30—C31	−179.3 (4)
O12—Tb1—O11—C42	−1.1 (2)	C29—C30—C31—C32	−0.5 (7)
N3—Tb1—O11—C42	−73.0 (2)	C30—C31—C32—C33	0.7 (7)
N4—Tb1—O11—C42	−135.2 (2)	C31—C32—C33—C34	−0.6 (7)
O6—Tb1—O12—C42	−102.5 (2)	C30—C29—C34—C33	−0.1 (6)
O3—Tb1—O12—C42	155.0 (3)	C28—C29—C34—C33	179.3 (3)
O1—Tb1—O12—C42	176.5 (3)	C32—C33—C34—C29	0.4 (6)
O8—Tb1—O12—C42	−39.7 (3)	Tb1—O6—C35—O5	81.6 (6)
O11—Tb1—O12—C42	1.1 (2)	Tb1—O6—C35—C36	−96.8 (6)
N3—Tb1—O12—C42	98.2 (2)	Tb2—O5—C35—O6	−39.9 (5)
N4—Tb1—O12—C42	51.2 (3)	Tb2—O5—C35—C36	138.6 (3)
O2—Tb2—N1—C7	−107.4 (3)	O6—C35—C36—C37	169.3 (4)
O7—Tb2—N1—C7	10.6 (4)	O5—C35—C36—C37	−9.2 (5)
O5—Tb2—N1—C7	176.6 (3)	O6—C35—C36—C41	−9.0 (5)
O4—Tb2—N1—C7	−27.5 (3)	O5—C35—C36—C41	172.5 (3)
O10—Tb2—N1—C7	103.4 (3)	C41—C36—C37—C38	1.2 (7)
O9—Tb2—N1—C7	51.3 (3)	C35—C36—C37—C38	−177.1 (4)
N2—Tb2—N1—C7	178.1 (3)	C36—C37—C38—C39	−0.6 (8)
C21—Tb2—N1—C7	77.1 (3)	C37—C38—C39—C40	0.2 (9)
O2—Tb2—N1—C6	67.0 (3)	C38—C39—C40—C41	−0.3 (8)
O7—Tb2—N1—C6	−175.0 (2)	C39—C40—C41—C36	1.0 (7)
O5—Tb2—N1—C6	−8.9 (4)	C37—C36—C41—C40	−1.4 (6)
O4—Tb2—N1—C6	146.9 (3)	C35—C36—C41—C40	176.9 (4)
O10—Tb2—N1—C6	−82.2 (3)	Tb1—O12—C42—O11	−1.9 (4)
O9—Tb2—N1—C6	−134.3 (3)	Tb1—O12—C42—C43	178.7 (3)
N2—Tb2—N1—C6	−7.5 (3)	Tb1—O11—C42—O12	2.0 (4)
C21—Tb2—N1—C6	−108.5 (3)	Tb1—O11—C42—C43	−178.6 (3)
O2—Tb2—N2—C4	87.7 (3)	O6—Tb1—C42—O12	72.4 (2)
O7—Tb2—N2—C4	−16.6 (4)	O3—Tb1—C42—O12	−110.4 (5)
O5—Tb2—N2—C4	−2.2 (3)	O1—Tb1—C42—O12	−3.6 (3)
O4—Tb2—N2—C4	144.1 (3)	O8—Tb1—C42—O12	147.8 (2)
O10—Tb2—N2—C4	−85.3 (3)	O11—Tb1—C42—O12	−178.1 (4)
O9—Tb2—N2—C4	−123.8 (3)	N3—Tb1—C42—O12	−74.9 (2)
N1—Tb2—N2—C4	178.7 (3)	N4—Tb1—C42—O12	−134.4 (2)
C21—Tb2—N2—C4	−102.5 (3)	O6—Tb1—C42—O11	−109.5 (2)
O2—Tb2—N2—C5	−83.0 (3)	O3—Tb1—C42—O11	67.7 (6)
O7—Tb2—N2—C5	172.7 (2)	O1—Tb1—C42—O11	174.5 (2)
O5—Tb2—N2—C5	−172.9 (3)	O8—Tb1—C42—O11	−34.1 (2)
O4—Tb2—N2—C5	−26.6 (3)	O12—Tb1—C42—O11	178.1 (4)
O10—Tb2—N2—C5	104.0 (3)	N3—Tb1—C42—O11	103.2 (2)
O9—Tb2—N2—C5	65.5 (3)	N4—Tb1—C42—O11	43.7 (2)
N1—Tb2—N2—C5	8.0 (2)	O6—Tb1—C42—C43	−78 (7)
C21—Tb2—N2—C5	86.8 (3)	O3—Tb1—C42—C43	100 (7)
O6—Tb1—N3—C20	13.4 (3)	O1—Tb1—C42—C43	−154 (7)
O3—Tb1—N3—C20	−111.8 (3)	O8—Tb1—C42—C43	−2 (7)
O1—Tb1—N3—C20	−36.3 (3)	O11—Tb1—C42—C43	32 (7)
O8—Tb1—N3—C20	172.8 (2)	O12—Tb1—C42—C43	−150 (8)
O11—Tb1—N3—C20	100.9 (3)	N3—Tb1—C42—C43	135 (7)
O12—Tb1—N3—C20	47.5 (3)	N4—Tb1—C42—C43	76 (7)
N4—Tb1—N3—C20	178.5 (3)	O12—C42—C43—C44	−172.3 (4)
C42—Tb1—N3—C20	74.6 (3)	O11—C42—C43—C44	8.3 (6)
O6—Tb1—N3—C16	−163.4 (2)	Tb1—C42—C43—C44	−23 (8)
O3—Tb1—N3—C16	71.3 (3)	O12—C42—C43—C48	8.4 (6)
O1—Tb1—N3—C16	146.8 (3)	O11—C42—C43—C48	−171.0 (4)
O8—Tb1—N3—C16	−4.1 (3)	Tb1—C42—C43—C48	158 (7)
O11—Tb1—N3—C16	−75.9 (3)	C48—C43—C44—C45	1.6 (7)
O12—Tb1—N3—C16	−129.4 (3)	C42—C43—C44—C45	−177.8 (4)
N4—Tb1—N3—C16	1.6 (3)	C43—C44—C45—C46	0.0 (7)
C42—Tb1—N3—C16	−102.3 (3)	C44—C45—C46—C47	−1.2 (8)
O6—Tb1—N4—C11	−26.3 (4)	C45—C46—C47—C48	0.8 (8)
O3—Tb1—N4—C11	72.0 (3)	C46—C47—C48—C43	0.8 (8)
O1—Tb1—N4—C11	131.0 (3)	C44—C43—C48—C47	−2.0 (7)
O8—Tb1—N4—C11	−9.7 (3)	C42—C43—C48—C47	177.4 (4)
O11—Tb1—N4—C11	−93.9 (3)	Tb2—O2—C49—O1	−19.8 (9)
O12—Tb1—N4—C11	−133.4 (3)	Tb2—O2—C49—C50	160.0 (5)
N3—Tb1—N4—C11	174.3 (3)	Tb1—O1—C49—O2	9.7 (6)
C42—Tb1—N4—C11	−112.7 (3)	Tb1—O1—C49—C50	−170.1 (2)
O6—Tb1—N4—C15	162.2 (2)	O2—C49—C50—C55	−14.6 (5)
O3—Tb1—N4—C15	−99.6 (3)	O1—C49—C50—C55	165.3 (4)
O1—Tb1—N4—C15	−40.6 (3)	O2—C49—C50—C51	167.1 (4)
O8—Tb1—N4—C15	178.8 (3)	O1—C49—C50—C51	−13.0 (5)
O11—Tb1—N4—C15	94.6 (3)	C55—C50—C51—C52	−0.6 (6)
O12—Tb1—N4—C15	55.1 (3)	C49—C50—C51—C52	177.8 (4)
N3—Tb1—N4—C15	2.7 (3)	C50—C51—C52—C53	0.0 (7)
C42—Tb1—N4—C15	75.8 (3)	C51—C52—C53—C54	−0.1 (8)
C5—C1—C2—C3	1.1 (7)	C52—C53—C54—C55	0.6 (8)
C1—C2—C3—C4	−0.7 (8)	C51—C50—C55—C54	1.2 (6)
C5—N2—C4—C3	0.2 (6)	C49—C50—C55—C54	−177.2 (4)
Tb2—N2—C4—C3	−170.7 (4)	C53—C54—C55—C50	−1.2 (7)
C2—C3—C4—N2	0.0 (8)	Tb2—O4—C56—O3	5.6 (5)
C4—N2—C5—C1	0.2 (5)	Tb2—O4—C56—C57	−174.6 (2)
Tb2—N2—C5—C1	171.2 (3)	Tb1—O3—C56—O4	−26.7 (8)
C4—N2—C5—C6	−179.1 (3)	Tb1—O3—C56—C57	153.5 (4)
Tb2—N2—C5—C6	−8.1 (4)	O4—C56—C57—C62	−167.5 (3)
C2—C1—C5—N2	−0.9 (6)	O3—C56—C57—C62	12.3 (5)
C2—C1—C5—C6	178.4 (4)	O4—C56—C57—C58	11.8 (5)
C7—N1—C6—C10	0.6 (5)	O3—C56—C57—C58	−168.4 (3)
Tb2—N1—C6—C10	−173.8 (3)	C62—C57—C58—C59	0.2 (5)
C7—N1—C6—C5	−178.9 (3)	C56—C57—C58—C59	−179.1 (3)
Tb2—N1—C6—C5	6.7 (4)	C57—C58—C59—C60	−0.1 (6)
N2—C5—C6—N1	1.2 (5)	C58—C59—C60—C61	1.2 (6)
C1—C5—C6—N1	−178.1 (3)	C59—C60—C61—C62	−2.3 (7)
N2—C5—C6—C10	−178.3 (3)	C58—C57—C62—C61	−1.3 (6)
C1—C5—C6—C10	2.3 (6)	C56—C57—C62—C61	178.0 (3)
C6—N1—C7—C8	−1.6 (6)	C60—C61—C62—C57	2.4 (6)

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