
Supporting information
![]() | Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806026493/sg2045sup1.cif |
![]() | Structure factor file (CIF format) https://doi.org/10.1107/S1600536806026493/sg2045Isup2.hkl |
CCDC reference: 618328
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.
[Tb2(C7H5O2)6(C10H8N2)2] | F(000) = 2688 |
Mr = 1356.87 | Dx = 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 |
Bruker APEX-II CCD area-detector diffractometer | 9710 independent reflections |
Radiation source: fine-focus sealed tube | 7548 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.037 |
φ and ω scans | θmax = 25.0°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −16→12 |
Tmin = 0.781, Tmax = 1.000 | k = −18→17 |
29568 measured reflections | l = −30→30 |
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(Fo2) + (0.019P)2] where P = (Fo2 + 2Fc2)/3 |
9710 reflections | (Δ/σ)max = 0.004 |
721 parameters | Δρmax = 0.44 e Å−3 |
0 restraints | Δρmin = −0.47 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 | ||
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* |
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) |
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) |