Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229619006004/lf3091sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229619006004/lf3091Eusup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229619006004/lf3091Tbsup3.hkl |
CCDC references: 1913011; 1913010
For both structures, data collection: APEX2 (Bruker, 2005); cell refinement: APEX2 (Bruker, 2005); data reduction: SAINT (Bruker, 2006); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).
(C10H10N2)[CoEu2(C7H3NO4)6(C10H9N2)2(H2O)2]·8H2O | Z = 1 |
Mr = 2150.34 | F(000) = 1087 |
Triclinic, P1 | Dx = 1.688 Mg m−3 |
a = 11.9021 (19) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.680 (2) Å | Cell parameters from 12178 reflections |
c = 14.867 (2) Å | θ = 1.7–25.0° |
α = 98.597 (2)° | µ = 1.76 mm−1 |
β = 99.600 (2)° | T = 296 K |
γ = 102.882 (2)° | Block, pink |
V = 2115.6 (6) Å3 | 0.20 × 0.18 × 0.18 mm |
Bruker SMART CCD APEXII diffractometer | 7015 reflections with I > 2σ(I) |
0.5° ω and 0.5° φ scans | Rint = 0.019 |
Absorption correction: multi-scan (SADABS; Krause et al., 2015) | θmax = 25.0°, θmin = 1.7° |
Tmin = 0.660, Tmax = 0.700 | h = −14→13 |
12178 measured reflections | k = −13→15 |
7429 independent reflections | l = −16→17 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.026 | H-atom parameters constrained |
wR(F2) = 0.075 | w = 1/[σ2(Fo2) + (0.0405P)2 + 2.0276P] where P = (Fo2 + 2Fc2)/3 |
S = 1.08 | (Δ/σ)max = 0.002 |
7429 reflections | Δρmax = 1.01 e Å−3 |
584 parameters | Δρmin = −0.67 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Eu1 | 0.57553 (2) | 0.30582 (2) | 0.71494 (2) | 0.02178 (8) | |
Co1 | 1.0000 | 0.5000 | 1.0000 | 0.02301 (13) | |
O1 | 0.6945 (3) | 0.5793 (2) | 0.5598 (2) | 0.0502 (7) | |
O2 | 0.6592 (2) | 0.47912 (18) | 0.66888 (16) | 0.0345 (5) | |
O3 | 0.4547 (2) | 0.13712 (18) | 0.61421 (15) | 0.0335 (5) | |
O4 | 0.3641 (2) | 0.0320 (2) | 0.47651 (16) | 0.0442 (6) | |
O5 | 0.4683 (2) | 0.21669 (19) | 0.82287 (16) | 0.0325 (5) | |
O6 | 0.4449 (3) | 0.1014 (2) | 0.9216 (2) | 0.0550 (7) | |
O7 | 0.7466 (2) | 0.26312 (19) | 0.66363 (16) | 0.0353 (5) | |
O8 | 0.8858 (2) | 0.1705 (2) | 0.66152 (19) | 0.0469 (6) | |
O9 | 0.3869 (2) | 0.3530 (2) | 0.68415 (16) | 0.0359 (5) | |
O10 | 0.2612 (2) | 0.4520 (3) | 0.7183 (2) | 0.0544 (7) | |
O11 | 0.74032 (18) | 0.39302 (18) | 0.84981 (15) | 0.0310 (5) | |
O12 | 0.83304 (19) | 0.52922 (19) | 0.97045 (15) | 0.0323 (5) | |
O13 | 0.95625 (19) | 0.35526 (18) | 0.89841 (15) | 0.0315 (5) | |
H13A | 0.9899 | 0.3437 | 0.8531 | 0.038* | |
H13B | 0.8896 | 0.3660 | 0.8777 | 0.038* | |
N1 | 0.5417 (2) | 0.3032 (2) | 0.54226 (17) | 0.0259 (5) | |
N2 | 0.5487 (2) | 0.4631 (2) | 0.83064 (17) | 0.0230 (5) | |
N3 | 0.6513 (2) | 0.1541 (2) | 0.77982 (17) | 0.0272 (5) | |
N4 | 1.0615 (2) | 0.5999 (2) | 0.90470 (18) | 0.0302 (6) | |
N5 | 1.2794 (3) | 0.9073 (2) | 0.5876 (2) | 0.0413 (7) | |
H5 | 1.3062 | 0.9448 | 0.5487 | 0.050* | |
C1 | 0.5891 (3) | 0.3930 (3) | 0.5108 (2) | 0.0307 (7) | |
C2 | 0.5778 (3) | 0.3927 (3) | 0.4167 (3) | 0.0443 (9) | |
H2 | 0.6121 | 0.4555 | 0.3960 | 0.053* | |
C3 | 0.5153 (4) | 0.2984 (4) | 0.3542 (3) | 0.0500 (10) | |
H3 | 0.5068 | 0.2967 | 0.2906 | 0.060* | |
C4 | 0.4647 (3) | 0.2055 (3) | 0.3869 (2) | 0.0425 (9) | |
H4 | 0.4212 | 0.1410 | 0.3460 | 0.051* | |
C5 | 0.4810 (3) | 0.2119 (3) | 0.4819 (2) | 0.0294 (7) | |
C6 | 0.6542 (3) | 0.4933 (3) | 0.5856 (2) | 0.0344 (7) | |
C7 | 0.4290 (3) | 0.1189 (3) | 0.5269 (2) | 0.0299 (7) | |
C8 | 0.7458 (3) | 0.1265 (3) | 0.7556 (2) | 0.0339 (7) | |
C9 | 0.7943 (4) | 0.0496 (4) | 0.7941 (3) | 0.0519 (10) | |
H9 | 0.8612 | 0.0329 | 0.7776 | 0.062* | |
C10 | 0.7412 (5) | −0.0016 (4) | 0.8572 (4) | 0.0678 (14) | |
H10 | 0.7712 | −0.0548 | 0.8828 | 0.081* | |
C11 | 0.6441 (4) | 0.0261 (3) | 0.8824 (3) | 0.0520 (10) | |
H11 | 0.6082 | −0.0070 | 0.9256 | 0.062* | |
C12 | 0.6007 (3) | 0.1048 (3) | 0.8417 (2) | 0.0324 (7) | |
C13 | 0.7972 (3) | 0.1904 (3) | 0.6874 (2) | 0.0311 (7) | |
C14 | 0.4960 (3) | 0.1436 (3) | 0.8649 (2) | 0.0331 (7) | |
C15 | 0.6355 (3) | 0.5186 (2) | 0.9027 (2) | 0.0261 (6) | |
C16 | 0.6241 (3) | 0.6057 (3) | 0.9645 (3) | 0.0439 (9) | |
H16 | 0.6857 | 0.6432 | 1.0140 | 0.053* | |
C17 | 0.5193 (4) | 0.6365 (4) | 0.9519 (3) | 0.0595 (12) | |
H17 | 0.5092 | 0.6949 | 0.9929 | 0.071* | |
C18 | 0.4297 (3) | 0.5795 (3) | 0.8775 (3) | 0.0483 (10) | |
H18 | 0.3585 | 0.5992 | 0.8675 | 0.058* | |
C19 | 0.4475 (3) | 0.4928 (3) | 0.8182 (2) | 0.0301 (7) | |
C20 | 0.7449 (3) | 0.4775 (2) | 0.9083 (2) | 0.0248 (6) | |
C21 | 0.3570 (3) | 0.4266 (3) | 0.7335 (2) | 0.0333 (7) | |
C22 | 1.1605 (3) | 0.6816 (3) | 0.9309 (2) | 0.0332 (7) | |
H22 | 1.2000 | 0.6968 | 0.9927 | 0.040* | |
C23 | 1.2067 (3) | 0.7441 (3) | 0.8719 (2) | 0.0346 (7) | |
H23 | 1.2756 | 0.8002 | 0.8936 | 0.042* | |
C24 | 1.1493 (3) | 0.7228 (3) | 0.7789 (2) | 0.0312 (7) | |
C25 | 1.0457 (3) | 0.6388 (3) | 0.7512 (2) | 0.0369 (8) | |
H25 | 1.0043 | 0.6219 | 0.6898 | 0.044* | |
C26 | 1.0055 (3) | 0.5812 (3) | 0.8158 (2) | 0.0361 (8) | |
H26 | 0.9355 | 0.5262 | 0.7966 | 0.043* | |
C27 | 1.3021 (4) | 0.9539 (3) | 0.6772 (3) | 0.0474 (10) | |
H27 | 1.3461 | 1.0267 | 0.6969 | 0.057* | |
C28 | 1.2614 (4) | 0.8957 (3) | 0.7405 (3) | 0.0459 (9) | |
H28 | 1.2780 | 0.9290 | 0.8030 | 0.055* | |
C29 | 1.1954 (3) | 0.7869 (3) | 0.7119 (2) | 0.0330 (7) | |
C30 | 1.1734 (4) | 0.7413 (3) | 0.6181 (3) | 0.0453 (9) | |
H30 | 1.1298 | 0.6686 | 0.5962 | 0.054* | |
C31 | 1.2164 (4) | 0.8044 (3) | 0.5573 (3) | 0.0490 (10) | |
H31 | 1.2008 | 0.7740 | 0.4942 | 0.059* | |
N6 | 0.8356 (3) | 0.7843 (2) | 0.5813 (2) | 0.0407 (7) | |
H6 | 0.7956 | 0.7307 | 0.6013 | 0.049* | |
C32 | 0.9168 (3) | 0.8635 (3) | 0.6418 (3) | 0.0438 (9) | |
H32 | 0.9292 | 0.8605 | 0.7047 | 0.053* | |
C33 | 0.9831 (3) | 0.9502 (3) | 0.6120 (2) | 0.0383 (8) | |
H33 | 1.0397 | 1.0057 | 0.6547 | 0.046* | |
C34 | 0.9651 (3) | 0.9541 (2) | 0.5175 (2) | 0.0285 (7) | |
C35 | 0.8770 (3) | 0.8697 (3) | 0.4575 (3) | 0.0400 (8) | |
H35 | 0.8608 | 0.8706 | 0.3943 | 0.048* | |
C36 | 0.8140 (3) | 0.7853 (3) | 0.4910 (3) | 0.0447 (9) | |
H36 | 0.7562 | 0.7288 | 0.4504 | 0.054* | |
O14 | 0.8869 (3) | 0.4359 (2) | 0.5899 (2) | 0.0582 (8) | |
H14A | 0.8292 | 0.3859 | 0.5956 | 0.070* | |
H14B | 0.8666 | 0.4613 | 0.5417 | 0.070* | |
O16 | 0.8988 (4) | 0.7793 (3) | 0.9531 (3) | 0.0811 (11) | |
H16A | 0.8818 | 0.7118 | 0.9578 | 0.097* | |
H16B | 0.8628 | 0.8135 | 0.9874 | 0.097* | |
O17 | 0.0819 (3) | 0.3147 (4) | 0.7676 (3) | 0.0899 (13) | |
H17A | 0.0260 | 0.2773 | 0.7233 | 0.108* | |
H17B | 0.1271 | 0.3627 | 0.7468 | 0.108* | |
O18 | 1.0249 (3) | 0.9265 (3) | 0.8572 (3) | 0.0814 (11) | |
H18A | 0.9947 | 0.8887 | 0.8939 | 0.098* | |
H18B | 1.0821 | 0.9786 | 0.8890 | 0.098* | |
O19 | 0.7689 (3) | 0.7136 (3) | 0.7568 (2) | 0.0783 (11) | |
H19A | 0.7458 | 0.6437 | 0.7425 | 0.118* | |
H19B | 0.7940 | 0.7274 | 0.8154 | 0.118* | |
O20 | 0.2155 (3) | 0.1689 (3) | 0.7752 (3) | 0.0884 (12) | |
H20A | 0.2807 | 0.1986 | 0.7622 | 0.106* | |
H20B | 0.1694 | 0.2111 | 0.7701 | 0.106* | |
O15 | 1.1020 (3) | 0.4336 (3) | 0.5513 (2) | 0.0731 (10) | |
H15A | 1.1494 | 0.4673 | 0.6019 | 0.088* | |
H15B | 1.0356 | 0.4064 | 0.5636 | 0.088* | |
O21 | 0.2206 (3) | 0.1115 (4) | 0.9370 (3) | 0.1004 (14) | |
H21A | 0.2906 | 0.1043 | 0.9439 | 0.121* | |
H21B | 0.2037 | 0.1308 | 0.8851 | 0.121* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Eu1 | 0.02158 (10) | 0.02228 (10) | 0.02035 (10) | 0.00196 (6) | 0.00526 (6) | 0.00512 (6) |
Co1 | 0.0214 (3) | 0.0252 (3) | 0.0192 (3) | 0.0002 (2) | 0.0024 (2) | 0.0053 (2) |
O1 | 0.0635 (17) | 0.0316 (13) | 0.0532 (16) | −0.0043 (12) | 0.0184 (14) | 0.0182 (12) |
O2 | 0.0395 (13) | 0.0266 (11) | 0.0335 (13) | −0.0026 (10) | 0.0101 (10) | 0.0071 (10) |
O3 | 0.0446 (13) | 0.0276 (11) | 0.0223 (11) | −0.0043 (10) | 0.0074 (10) | 0.0066 (9) |
O4 | 0.0594 (16) | 0.0336 (13) | 0.0250 (12) | −0.0142 (12) | 0.0071 (11) | 0.0019 (10) |
O5 | 0.0354 (12) | 0.0365 (12) | 0.0313 (12) | 0.0103 (10) | 0.0145 (10) | 0.0141 (10) |
O6 | 0.074 (2) | 0.0548 (17) | 0.0553 (17) | 0.0224 (15) | 0.0414 (16) | 0.0302 (14) |
O7 | 0.0354 (12) | 0.0402 (13) | 0.0374 (13) | 0.0122 (10) | 0.0184 (10) | 0.0142 (10) |
O8 | 0.0386 (14) | 0.0564 (16) | 0.0528 (16) | 0.0200 (12) | 0.0207 (12) | 0.0081 (13) |
O9 | 0.0279 (12) | 0.0460 (14) | 0.0292 (12) | 0.0074 (10) | −0.0009 (9) | 0.0036 (11) |
O10 | 0.0257 (13) | 0.083 (2) | 0.0579 (18) | 0.0232 (13) | 0.0008 (12) | 0.0169 (15) |
O11 | 0.0233 (11) | 0.0323 (12) | 0.0319 (12) | 0.0076 (9) | −0.0028 (9) | −0.0021 (10) |
O12 | 0.0259 (11) | 0.0359 (12) | 0.0282 (12) | 0.0034 (9) | −0.0019 (9) | −0.0004 (10) |
O13 | 0.0286 (11) | 0.0343 (12) | 0.0282 (11) | 0.0043 (9) | 0.0067 (9) | 0.0002 (9) |
N1 | 0.0257 (13) | 0.0266 (13) | 0.0251 (13) | 0.0020 (10) | 0.0067 (10) | 0.0100 (11) |
N2 | 0.0219 (12) | 0.0249 (12) | 0.0229 (12) | 0.0053 (10) | 0.0058 (10) | 0.0065 (10) |
N3 | 0.0296 (13) | 0.0278 (13) | 0.0225 (13) | 0.0055 (11) | 0.0059 (10) | 0.0021 (10) |
N4 | 0.0326 (14) | 0.0302 (14) | 0.0278 (14) | 0.0042 (11) | 0.0083 (11) | 0.0091 (11) |
N5 | 0.0556 (19) | 0.0341 (16) | 0.0350 (16) | 0.0006 (14) | 0.0207 (14) | 0.0134 (13) |
C1 | 0.0292 (16) | 0.0319 (17) | 0.0334 (17) | 0.0036 (13) | 0.0100 (13) | 0.0156 (14) |
C2 | 0.051 (2) | 0.047 (2) | 0.036 (2) | 0.0001 (18) | 0.0132 (17) | 0.0234 (17) |
C3 | 0.062 (3) | 0.062 (3) | 0.0251 (18) | 0.002 (2) | 0.0114 (17) | 0.0212 (18) |
C4 | 0.046 (2) | 0.046 (2) | 0.0259 (17) | −0.0041 (17) | 0.0055 (15) | 0.0053 (15) |
C5 | 0.0285 (16) | 0.0318 (17) | 0.0265 (16) | 0.0018 (13) | 0.0084 (13) | 0.0076 (13) |
C6 | 0.0340 (17) | 0.0280 (17) | 0.043 (2) | 0.0022 (14) | 0.0158 (15) | 0.0126 (15) |
C7 | 0.0330 (17) | 0.0288 (16) | 0.0259 (16) | 0.0006 (13) | 0.0090 (13) | 0.0067 (13) |
C8 | 0.0360 (18) | 0.0331 (17) | 0.0328 (17) | 0.0120 (14) | 0.0078 (14) | 0.0016 (14) |
C9 | 0.060 (3) | 0.060 (3) | 0.052 (2) | 0.036 (2) | 0.021 (2) | 0.020 (2) |
C10 | 0.091 (4) | 0.071 (3) | 0.073 (3) | 0.056 (3) | 0.031 (3) | 0.040 (3) |
C11 | 0.077 (3) | 0.050 (2) | 0.047 (2) | 0.030 (2) | 0.027 (2) | 0.0285 (19) |
C12 | 0.0426 (19) | 0.0294 (16) | 0.0245 (16) | 0.0072 (14) | 0.0069 (14) | 0.0065 (13) |
C13 | 0.0280 (16) | 0.0363 (18) | 0.0279 (16) | 0.0080 (14) | 0.0072 (13) | 0.0016 (14) |
C14 | 0.0403 (18) | 0.0322 (17) | 0.0271 (16) | 0.0053 (14) | 0.0122 (14) | 0.0065 (14) |
C15 | 0.0254 (15) | 0.0267 (15) | 0.0253 (15) | 0.0041 (12) | 0.0061 (12) | 0.0050 (12) |
C16 | 0.041 (2) | 0.043 (2) | 0.041 (2) | 0.0077 (16) | 0.0059 (16) | −0.0084 (16) |
C17 | 0.058 (3) | 0.053 (2) | 0.065 (3) | 0.027 (2) | 0.016 (2) | −0.018 (2) |
C18 | 0.040 (2) | 0.054 (2) | 0.057 (2) | 0.0264 (18) | 0.0128 (18) | 0.0029 (19) |
C19 | 0.0250 (15) | 0.0381 (18) | 0.0329 (17) | 0.0118 (13) | 0.0106 (13) | 0.0133 (14) |
C20 | 0.0247 (15) | 0.0259 (15) | 0.0228 (15) | 0.0032 (12) | 0.0053 (12) | 0.0065 (12) |
C21 | 0.0230 (16) | 0.046 (2) | 0.0342 (18) | 0.0070 (14) | 0.0059 (13) | 0.0204 (16) |
C22 | 0.0341 (17) | 0.0368 (18) | 0.0255 (16) | 0.0016 (14) | 0.0052 (13) | 0.0084 (14) |
C23 | 0.0334 (17) | 0.0299 (17) | 0.0353 (18) | −0.0034 (14) | 0.0087 (14) | 0.0061 (14) |
C24 | 0.0429 (19) | 0.0246 (15) | 0.0302 (17) | 0.0082 (14) | 0.0160 (14) | 0.0088 (13) |
C25 | 0.049 (2) | 0.0324 (17) | 0.0260 (17) | 0.0023 (15) | 0.0061 (15) | 0.0089 (14) |
C26 | 0.0388 (18) | 0.0357 (18) | 0.0306 (17) | 0.0002 (15) | 0.0075 (14) | 0.0098 (14) |
C27 | 0.061 (2) | 0.0337 (19) | 0.038 (2) | −0.0103 (17) | 0.0162 (18) | 0.0066 (16) |
C28 | 0.065 (3) | 0.0340 (19) | 0.0304 (18) | −0.0056 (17) | 0.0162 (17) | 0.0027 (15) |
C29 | 0.0440 (19) | 0.0257 (16) | 0.0318 (17) | 0.0071 (14) | 0.0146 (14) | 0.0081 (13) |
C30 | 0.069 (3) | 0.0263 (17) | 0.0339 (19) | −0.0055 (17) | 0.0181 (18) | 0.0046 (15) |
C31 | 0.078 (3) | 0.036 (2) | 0.0277 (18) | −0.0027 (19) | 0.0201 (18) | 0.0042 (15) |
N6 | 0.0367 (16) | 0.0310 (15) | 0.056 (2) | 0.0016 (13) | 0.0142 (14) | 0.0174 (14) |
C32 | 0.052 (2) | 0.045 (2) | 0.037 (2) | 0.0098 (18) | 0.0150 (17) | 0.0161 (17) |
C33 | 0.046 (2) | 0.0308 (17) | 0.0322 (18) | −0.0007 (15) | 0.0061 (15) | 0.0051 (14) |
C34 | 0.0283 (15) | 0.0234 (15) | 0.0329 (17) | 0.0053 (13) | 0.0067 (13) | 0.0040 (13) |
C35 | 0.044 (2) | 0.0308 (17) | 0.0362 (19) | −0.0042 (15) | 0.0020 (15) | 0.0071 (15) |
C36 | 0.041 (2) | 0.0313 (18) | 0.054 (2) | −0.0032 (15) | 0.0030 (17) | 0.0097 (17) |
O14 | 0.0502 (17) | 0.0567 (18) | 0.069 (2) | 0.0076 (14) | 0.0178 (15) | 0.0199 (15) |
O16 | 0.119 (3) | 0.070 (2) | 0.078 (2) | 0.038 (2) | 0.052 (2) | 0.0295 (19) |
O17 | 0.0490 (19) | 0.121 (3) | 0.078 (3) | −0.013 (2) | 0.0334 (17) | −0.021 (2) |
O18 | 0.084 (3) | 0.072 (2) | 0.074 (2) | 0.0028 (19) | 0.0012 (19) | 0.0106 (19) |
O19 | 0.097 (3) | 0.060 (2) | 0.063 (2) | −0.0059 (19) | 0.0039 (19) | 0.0178 (17) |
O20 | 0.071 (2) | 0.095 (3) | 0.101 (3) | 0.017 (2) | 0.022 (2) | 0.029 (2) |
O15 | 0.0393 (16) | 0.118 (3) | 0.069 (2) | 0.0210 (18) | 0.0147 (15) | 0.037 (2) |
O21 | 0.066 (2) | 0.105 (3) | 0.115 (3) | 0.006 (2) | 0.035 (2) | −0.017 (3) |
Eu1—O3 | 2.416 (2) | C11—H11 | 0.9300 |
Eu1—O7 | 2.431 (2) | C12—C14 | 1.511 (5) |
Eu1—O9 | 2.438 (2) | C15—C16 | 1.375 (5) |
Eu1—O2 | 2.448 (2) | C15—C20 | 1.501 (4) |
Eu1—O5 | 2.462 (2) | C16—C17 | 1.379 (6) |
Eu1—O11 | 2.480 (2) | C16—H16 | 0.9300 |
Eu1—N1 | 2.526 (2) | C17—C18 | 1.381 (6) |
Eu1—N2 | 2.546 (2) | C17—H17 | 0.9300 |
Eu1—N3 | 2.546 (3) | C18—C19 | 1.382 (5) |
Co1—O12 | 2.089 (2) | C18—H18 | 0.9300 |
Co1—O12i | 2.089 (2) | C19—C21 | 1.509 (5) |
Co1—O13 | 2.098 (2) | C22—C23 | 1.370 (5) |
Co1—O13i | 2.098 (2) | C22—H22 | 0.9300 |
Co1—N4i | 2.148 (3) | C23—C24 | 1.393 (5) |
Co1—N4 | 2.149 (3) | C23—H23 | 0.9300 |
O1—C6 | 1.233 (4) | C24—C25 | 1.392 (5) |
O2—C6 | 1.271 (4) | C24—C29 | 1.477 (4) |
O3—C7 | 1.256 (4) | C25—C26 | 1.376 (5) |
O4—C7 | 1.246 (4) | C25—H25 | 0.9300 |
O5—C14 | 1.264 (4) | C26—H26 | 0.9300 |
O6—C14 | 1.236 (4) | C27—C28 | 1.366 (5) |
O7—C13 | 1.270 (4) | C27—H27 | 0.9300 |
O8—C13 | 1.244 (4) | C28—C29 | 1.389 (5) |
O9—C21 | 1.252 (4) | C28—H28 | 0.9300 |
O10—C21 | 1.247 (4) | C29—C30 | 1.384 (5) |
O11—C20 | 1.259 (4) | C30—C31 | 1.382 (5) |
O12—C20 | 1.255 (4) | C30—H30 | 0.9300 |
O13—H13A | 0.8501 | C31—H31 | 0.9300 |
O13—H13B | 0.8497 | N6—C32 | 1.326 (5) |
N1—C5 | 1.330 (4) | N6—C36 | 1.327 (5) |
N1—C1 | 1.339 (4) | N6—H6 | 0.8600 |
N2—C19 | 1.332 (4) | C32—C33 | 1.380 (5) |
N2—C15 | 1.338 (4) | C32—H32 | 0.9300 |
N3—C12 | 1.337 (4) | C33—C34 | 1.395 (5) |
N3—C8 | 1.339 (4) | C33—H33 | 0.9300 |
N4—C26 | 1.337 (4) | C34—C35 | 1.394 (5) |
N4—C22 | 1.340 (4) | C34—C34ii | 1.486 (6) |
N5—C31 | 1.319 (5) | C35—C36 | 1.371 (5) |
N5—C27 | 1.332 (5) | C35—H35 | 0.9300 |
N5—H5 | 0.8600 | C36—H36 | 0.9300 |
C1—C2 | 1.382 (5) | O14—H14A | 0.8499 |
C1—C6 | 1.518 (5) | O14—H14B | 0.8498 |
C2—C3 | 1.374 (6) | O16—H16A | 0.8498 |
C2—H2 | 0.9300 | O16—H16B | 0.8501 |
C3—C4 | 1.393 (5) | O17—H17A | 0.8500 |
C3—H3 | 0.9300 | O17—H17B | 0.8500 |
C4—C5 | 1.380 (5) | O18—H18A | 0.8503 |
C4—H4 | 0.9300 | O18—H18B | 0.8499 |
C5—C7 | 1.507 (4) | O19—H19A | 0.8499 |
C8—C9 | 1.384 (5) | O19—H19B | 0.8503 |
C8—C13 | 1.513 (5) | O20—H20A | 0.8499 |
C9—C10 | 1.378 (6) | O20—H20B | 0.8499 |
C9—H9 | 0.9300 | O15—H15A | 0.8500 |
C10—C11 | 1.373 (6) | O15—H15B | 0.8500 |
C10—H10 | 0.9300 | O21—H21A | 0.8499 |
C11—C12 | 1.390 (5) | O21—H21B | 0.8500 |
O3—Eu1—O7 | 88.73 (8) | N3—C8—C13 | 114.3 (3) |
O3—Eu1—O9 | 79.51 (8) | C9—C8—C13 | 123.8 (3) |
O7—Eu1—O9 | 151.08 (8) | C10—C9—C8 | 118.6 (4) |
O3—Eu1—O2 | 127.13 (7) | C10—C9—H9 | 120.7 |
O7—Eu1—O2 | 79.96 (8) | C8—C9—H9 | 120.7 |
O9—Eu1—O2 | 86.24 (8) | C11—C10—C9 | 119.9 (4) |
O3—Eu1—O5 | 78.31 (8) | C11—C10—H10 | 120.1 |
O7—Eu1—O5 | 126.47 (8) | C9—C10—H10 | 120.1 |
O9—Eu1—O5 | 77.10 (8) | C10—C11—C12 | 118.4 (4) |
O2—Eu1—O5 | 146.61 (8) | C10—C11—H11 | 120.8 |
O3—Eu1—O11 | 147.25 (8) | C12—C11—H11 | 120.8 |
O7—Eu1—O11 | 76.01 (8) | N3—C12—C11 | 121.9 (3) |
O9—Eu1—O11 | 126.21 (8) | N3—C12—C14 | 114.6 (3) |
O2—Eu1—O11 | 79.09 (8) | C11—C12—C14 | 123.4 (3) |
O5—Eu1—O11 | 87.66 (8) | O8—C13—O7 | 125.6 (3) |
O3—Eu1—N1 | 63.25 (7) | O8—C13—C8 | 118.6 (3) |
O7—Eu1—N1 | 73.61 (8) | O7—C13—C8 | 115.8 (3) |
O9—Eu1—N1 | 77.50 (8) | O6—C14—O5 | 126.1 (3) |
O2—Eu1—N1 | 63.99 (8) | O6—C14—C12 | 118.1 (3) |
O5—Eu1—N1 | 136.95 (8) | O5—C14—C12 | 115.8 (3) |
O11—Eu1—N1 | 135.30 (8) | N2—C15—C16 | 122.2 (3) |
O3—Eu1—N2 | 137.93 (8) | N2—C15—C20 | 113.9 (3) |
O7—Eu1—N2 | 133.32 (8) | C16—C15—C20 | 124.0 (3) |
O9—Eu1—N2 | 63.53 (8) | C15—C16—C17 | 118.7 (3) |
O2—Eu1—N2 | 72.08 (8) | C15—C16—H16 | 120.6 |
O5—Eu1—N2 | 74.60 (8) | C17—C16—H16 | 120.6 |
O11—Eu1—N2 | 62.69 (7) | C16—C17—C18 | 119.2 (3) |
N1—Eu1—N2 | 122.17 (8) | C16—C17—H17 | 120.4 |
O3—Eu1—N3 | 75.68 (8) | C18—C17—H17 | 120.4 |
O7—Eu1—N3 | 63.42 (8) | C17—C18—C19 | 118.9 (3) |
O9—Eu1—N3 | 136.29 (8) | C17—C18—H18 | 120.6 |
O2—Eu1—N3 | 137.25 (8) | C19—C18—H18 | 120.6 |
O5—Eu1—N3 | 63.06 (8) | N2—C19—C18 | 121.8 (3) |
O11—Eu1—N3 | 71.59 (8) | N2—C19—C21 | 114.8 (3) |
N1—Eu1—N3 | 120.10 (8) | C18—C19—C21 | 123.4 (3) |
N2—Eu1—N3 | 117.61 (8) | O12—C20—O11 | 125.2 (3) |
O12—Co1—O12i | 180.00 (13) | O12—C20—C15 | 117.9 (3) |
O12—Co1—O13 | 94.28 (9) | O11—C20—C15 | 116.9 (3) |
O12i—Co1—O13 | 85.72 (9) | O10—C21—O9 | 126.4 (3) |
O12—Co1—O13i | 85.72 (9) | O10—C21—C19 | 117.2 (3) |
O12i—Co1—O13i | 94.28 (9) | O9—C21—C19 | 116.4 (3) |
O13—Co1—O13i | 180.00 (12) | N4—C22—C23 | 123.7 (3) |
O12—Co1—N4i | 88.52 (10) | N4—C22—H22 | 118.1 |
O12i—Co1—N4i | 91.48 (10) | C23—C22—H22 | 118.1 |
O13—Co1—N4i | 87.96 (10) | C22—C23—C24 | 119.2 (3) |
O13i—Co1—N4i | 92.04 (10) | C22—C23—H23 | 120.4 |
O12—Co1—N4 | 91.48 (10) | C24—C23—H23 | 120.4 |
O12i—Co1—N4 | 88.52 (10) | C25—C24—C23 | 117.5 (3) |
O13—Co1—N4 | 92.04 (10) | C25—C24—C29 | 120.8 (3) |
O13i—Co1—N4 | 87.96 (10) | C23—C24—C29 | 121.6 (3) |
N4i—Co1—N4 | 180.0 | C26—C25—C24 | 119.0 (3) |
C6—O2—Eu1 | 125.3 (2) | C26—C25—H25 | 120.5 |
C7—O3—Eu1 | 126.45 (19) | C24—C25—H25 | 120.5 |
C14—O5—Eu1 | 125.8 (2) | N4—C26—C25 | 123.7 (3) |
C13—O7—Eu1 | 126.3 (2) | N4—C26—H26 | 118.1 |
C21—O9—Eu1 | 125.7 (2) | C25—C26—H26 | 118.1 |
C20—O11—Eu1 | 124.86 (19) | N5—C27—C28 | 120.5 (3) |
C20—O12—Co1 | 129.6 (2) | N5—C27—H27 | 119.7 |
Co1—O13—H13A | 126.1 | C28—C27—H27 | 119.7 |
Co1—O13—H13B | 91.3 | C27—C28—C29 | 120.3 (3) |
H13A—O13—H13B | 108.6 | C27—C28—H28 | 119.9 |
C5—N1—C1 | 119.5 (3) | C29—C28—H28 | 119.9 |
C5—N1—Eu1 | 120.50 (19) | C30—C29—C28 | 117.5 (3) |
C1—N1—Eu1 | 119.9 (2) | C30—C29—C24 | 121.2 (3) |
C19—N2—C15 | 119.2 (3) | C28—C29—C24 | 121.2 (3) |
C19—N2—Eu1 | 119.5 (2) | C31—C30—C29 | 119.6 (3) |
C15—N2—Eu1 | 121.20 (19) | C31—C30—H30 | 120.2 |
C12—N3—C8 | 119.2 (3) | C29—C30—H30 | 120.2 |
C12—N3—Eu1 | 120.5 (2) | N5—C31—C30 | 120.9 (3) |
C8—N3—Eu1 | 120.2 (2) | N5—C31—H31 | 119.6 |
C26—N4—C22 | 116.8 (3) | C30—C31—H31 | 119.6 |
C26—N4—Co1 | 121.8 (2) | C32—N6—C36 | 122.0 (3) |
C22—N4—Co1 | 121.3 (2) | C32—N6—H6 | 119.0 |
C31—N5—C27 | 121.2 (3) | C36—N6—H6 | 119.0 |
C31—N5—H5 | 119.4 | N6—C32—C33 | 120.4 (3) |
C27—N5—H5 | 119.4 | N6—C32—H32 | 119.8 |
N1—C1—C2 | 121.5 (3) | C33—C32—H32 | 119.8 |
N1—C1—C6 | 115.1 (3) | C32—C33—C34 | 119.8 (3) |
C2—C1—C6 | 123.4 (3) | C32—C33—H33 | 120.1 |
C3—C2—C1 | 119.1 (3) | C34—C33—H33 | 120.1 |
C3—C2—H2 | 120.5 | C35—C34—C33 | 117.2 (3) |
C1—C2—H2 | 120.4 | C35—C34—C34ii | 121.4 (4) |
C2—C3—C4 | 119.4 (3) | C33—C34—C34ii | 121.4 (4) |
C2—C3—H3 | 120.3 | C36—C35—C34 | 120.5 (3) |
C4—C3—H3 | 120.3 | C36—C35—H35 | 119.7 |
C5—C4—C3 | 118.1 (3) | C34—C35—H35 | 119.7 |
C5—C4—H4 | 121.0 | N6—C36—C35 | 120.1 (3) |
C3—C4—H4 | 121.0 | N6—C36—H36 | 120.0 |
N1—C5—C4 | 122.4 (3) | C35—C36—H36 | 120.0 |
N1—C5—C7 | 113.8 (3) | H14A—O14—H14B | 109.0 |
C4—C5—C7 | 123.7 (3) | H16A—O16—H16B | 108.4 |
O1—C6—O2 | 127.1 (3) | H17A—O17—H17B | 108.8 |
O1—C6—C1 | 117.3 (3) | H18A—O18—H18B | 108.7 |
O2—C6—C1 | 115.6 (3) | H19A—O19—H19B | 104.5 |
O4—C7—O3 | 125.2 (3) | H20A—O20—H20B | 109.7 |
O4—C7—C5 | 119.0 (3) | H15A—O15—H15B | 108.4 |
O3—C7—C5 | 115.8 (3) | H21A—O21—H21B | 107.9 |
N3—C8—C9 | 121.9 (3) |
Symmetry codes: (i) −x+2, −y+1, −z+2; (ii) −x+2, −y+2, −z+1. |
(C10H10N2)[CoTb2(C7H3NO4)6(C10H9N2)2(H2O)2]·8H2O | Z = 1 |
Mr = 2164.26 | F(000) = 1091 |
Triclinic, P1 | Dx = 1.706 Mg m−3 |
a = 11.8977 (6) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.6490 (6) Å | Cell parameters from 9945 reflections |
c = 14.8487 (8) Å | θ = 2.0–25.0° |
α = 98.518 (1)° | µ = 1.96 mm−1 |
β = 99.901 (1)° | T = 296 K |
γ = 102.715 (1)° | Block, pink |
V = 2106.78 (19) Å3 | 0.21 × 0.20 × 0.17 mm |
Bruker SMART CCD APEXII diffractometer | 7395 independent reflections |
Radiation source: microfocus sealed X-ray tube, Incoatec Iµs | 6962 reflections with I > 2σ(I) |
Mirror optics monochromator | Rint = 0.017 |
Detector resolution: 7.9 pixels mm-1 | θmax = 25.0°, θmin = 1.7° |
0.5° ω and 0.5° φ scans | h = −14→13 |
Absorption correction: multi-scan (SADABS; Krause et al., 2015) | k = −12→15 |
Tmin = 0.619, Tmax = 0.695 | l = −17→17 |
12081 measured reflections |
Refinement on F2 | Primary atom site location: dual |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.026 | H-atom parameters constrained |
wR(F2) = 0.072 | w = 1/[σ2(Fo2) + (0.0388P)2 + 2.506P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max = 0.001 |
7395 reflections | Δρmax = 1.10 e Å−3 |
583 parameters | Δρmin = −0.74 e Å−3 |
12 restraints |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. 1. Fixed Uiso At 1.2 times of: All C(H) groups, All N(H) groups, All O(H,H) groups 2. Uiso/Uaniso restraints and constraints Uanis(O21) ~ Ueq, Uanis(O20) ~ Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.005 3.a Riding coordinates: O13(H13A,H13B), O14(H14A,H14B), O15(H15A,H15B), O16(H16A,H16B), O17(H17A, H17B), O18(H18A,H18B), O19(H19A,H19B), O20(H20A,H20B), O21(H21A,H21B) 3.b Aromatic/amide H refined with riding coordinates: N5(H5), C2(H2), C3(H3), C4(H4), C9(H9), C10(H10), C11(H11), C16(H16), C17(H17), C18(H18), C22(H22), C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), N6(H6), C32(H32), C33(H33), C35(H35), C36(H36) |
x | y | z | Uiso*/Ueq | ||
Tb1 | 0.42334 (2) | 0.19422 (2) | 0.28485 (2) | 0.02235 (6) | |
Co1 | 0.000000 | 0.000000 | 0.000000 | 0.02368 (13) | |
O1 | 0.3032 (3) | −0.0800 (2) | 0.4374 (2) | 0.0563 (8) | |
O2 | 0.3390 (2) | 0.02105 (18) | 0.32881 (16) | 0.0355 (5) | |
O3 | 0.5422 (2) | 0.36242 (18) | 0.38396 (15) | 0.0346 (5) | |
O4 | 0.6351 (2) | 0.4667 (2) | 0.52259 (17) | 0.0444 (7) | |
O5 | 0.5305 (2) | 0.28005 (19) | 0.17751 (16) | 0.0335 (5) | |
O6 | 0.5562 (3) | 0.3959 (2) | 0.0790 (2) | 0.0575 (8) | |
O7 | 0.2544 (2) | 0.2370 (2) | 0.33648 (17) | 0.0363 (5) | |
O8 | 0.1154 (2) | 0.3301 (2) | 0.3381 (2) | 0.0494 (7) | |
O9 | 0.6107 (2) | 0.1490 (2) | 0.31880 (16) | 0.0363 (5) | |
O10 | 0.7402 (2) | 0.0543 (3) | 0.2847 (2) | 0.0588 (8) | |
O11 | 0.25987 (19) | 0.10806 (19) | 0.15117 (16) | 0.0318 (5) | |
O12 | 0.16742 (19) | −0.02932 (19) | 0.03111 (16) | 0.0334 (5) | |
O13 | 0.0436 (2) | 0.14535 (19) | 0.10167 (16) | 0.0331 (5) | |
H13A | 0.112049 | 0.138855 | 0.129362 | 0.040* | |
H13B | −0.001411 | 0.136975 | 0.140142 | 0.040* | |
N1 | 0.4566 (2) | 0.1960 (2) | 0.45596 (18) | 0.0261 (6) | |
N2 | 0.3489 (2) | 0.3452 (2) | 0.22002 (18) | 0.0278 (6) | |
N3 | 0.4515 (2) | 0.0388 (2) | 0.17121 (17) | 0.0239 (5) | |
N4 | −0.0616 (2) | −0.0997 (2) | 0.09566 (19) | 0.0313 (6) | |
N5 | −0.2806 (3) | −0.4077 (2) | 0.4122 (2) | 0.0424 (7) | |
H5 | −0.308337 | −0.446231 | 0.451867 | 0.051* | |
C1 | 0.4092 (3) | 0.1063 (3) | 0.4874 (2) | 0.0313 (7) | |
C2 | 0.4218 (4) | 0.1058 (3) | 0.5815 (3) | 0.0463 (10) | |
H2 | 0.387385 | 0.041218 | 0.602410 | 0.056* | |
C3 | 0.4850 (4) | 0.2003 (4) | 0.6449 (3) | 0.0504 (10) | |
H3 | 0.493946 | 0.201863 | 0.709903 | 0.061* | |
C4 | 0.5354 (3) | 0.2932 (3) | 0.6122 (3) | 0.0436 (9) | |
H4 | 0.580373 | 0.358912 | 0.654164 | 0.052* | |
C5 | 0.5181 (3) | 0.2872 (3) | 0.5169 (2) | 0.0295 (7) | |
C6 | 0.3440 (3) | 0.0067 (3) | 0.4118 (3) | 0.0355 (8) | |
C7 | 0.5689 (3) | 0.3811 (3) | 0.4719 (2) | 0.0307 (7) | |
C8 | 0.2551 (3) | 0.3738 (3) | 0.2442 (2) | 0.0342 (8) | |
C9 | 0.2067 (4) | 0.4505 (4) | 0.2056 (3) | 0.0549 (11) | |
H9 | 0.138532 | 0.468075 | 0.222358 | 0.066* | |
C10 | 0.2596 (5) | 0.5015 (4) | 0.1418 (4) | 0.0712 (15) | |
H10 | 0.228694 | 0.555651 | 0.115191 | 0.085* | |
C11 | 0.3575 (4) | 0.4734 (4) | 0.1168 (3) | 0.0536 (11) | |
H11 | 0.394858 | 0.507557 | 0.073086 | 0.064* | |
C12 | 0.3996 (3) | 0.3937 (3) | 0.1576 (2) | 0.0339 (7) | |
C13 | 0.2033 (3) | 0.3095 (3) | 0.3119 (2) | 0.0335 (7) | |
C14 | 0.5044 (3) | 0.3541 (3) | 0.1357 (2) | 0.0343 (8) | |
C15 | 0.5537 (3) | 0.0100 (3) | 0.1842 (2) | 0.0308 (7) | |
C16 | 0.5729 (4) | −0.0762 (3) | 0.1250 (3) | 0.0485 (10) | |
H16 | 0.646370 | −0.095222 | 0.135245 | 0.058* | |
C17 | 0.4833 (4) | −0.1341 (4) | 0.0506 (3) | 0.0608 (13) | |
H17 | 0.494385 | −0.193772 | 0.008960 | 0.073* | |
C18 | 0.3775 (4) | −0.1049 (3) | 0.0370 (3) | 0.0455 (9) | |
H18 | 0.314833 | −0.143884 | −0.013747 | 0.055* | |
C19 | 0.3647 (3) | −0.0174 (3) | 0.0991 (2) | 0.0270 (7) | |
C20 | 0.6430 (3) | 0.0771 (3) | 0.2690 (2) | 0.0340 (8) | |
C21 | 0.2553 (3) | 0.0234 (3) | 0.0931 (2) | 0.0259 (7) | |
C22 | −0.1611 (3) | −0.1818 (3) | 0.0685 (2) | 0.0348 (8) | |
H22 | −0.201329 | −0.197538 | 0.005146 | 0.042* | |
C23 | −0.2069 (3) | −0.2436 (3) | 0.1279 (2) | 0.0349 (8) | |
H23 | −0.277414 | −0.300707 | 0.105490 | 0.042* | |
C24 | −0.1503 (3) | −0.2228 (3) | 0.2209 (2) | 0.0312 (7) | |
C25 | −0.0469 (3) | −0.1388 (3) | 0.2488 (2) | 0.0379 (8) | |
H25 | −0.004696 | −0.121699 | 0.311693 | 0.046* | |
C26 | −0.0064 (3) | −0.0808 (3) | 0.1848 (2) | 0.0366 (8) | |
H26 | 0.064811 | −0.024224 | 0.205018 | 0.044* | |
C27 | −0.3032 (4) | −0.4543 (3) | 0.3222 (3) | 0.0487 (10) | |
H27 | −0.348442 | −0.528643 | 0.301746 | 0.058* | |
C28 | −0.2620 (4) | −0.3960 (3) | 0.2591 (3) | 0.0464 (10) | |
H28 | −0.278275 | −0.429877 | 0.195166 | 0.056* | |
C29 | −0.1964 (3) | −0.2870 (3) | 0.2884 (2) | 0.0342 (7) | |
C30 | −0.1742 (4) | −0.2417 (3) | 0.3821 (3) | 0.0467 (10) | |
H30 | −0.129636 | −0.167454 | 0.404756 | 0.056* | |
C31 | −0.2173 (4) | −0.3052 (3) | 0.4427 (3) | 0.0504 (11) | |
H31 | −0.201131 | −0.274365 | 0.507334 | 0.060* | |
O14 | 0.0981 (4) | −0.2816 (3) | 0.0446 (3) | 0.0837 (12) | |
H14A | 0.116521 | −0.213833 | 0.040742 | 0.100* | |
H14B | 0.135621 | −0.315863 | 0.011802 | 0.100* | |
O15 | −0.0270 (4) | −0.4283 (3) | 0.1420 (3) | 0.0858 (11) | |
H15A | −0.001844 | −0.391485 | 0.102894 | 0.103* | |
H15B | −0.074674 | −0.485175 | 0.106464 | 0.103* | |
O16 | 0.1138 (3) | 0.0639 (3) | 0.4102 (2) | 0.0653 (9) | |
H16A | 0.147240 | 0.118555 | 0.388980 | 0.078* | |
H16B | 0.047900 | 0.073015 | 0.420020 | 0.078* | |
O17 | 0.7826 (4) | 0.3307 (4) | 0.2248 (3) | 0.1116 (16) | |
H17A | 0.715925 | 0.287608 | 0.222536 | 0.134* | |
H17B | 0.836315 | 0.299958 | 0.244326 | 0.134* | |
O18 | 0.0997 (3) | −0.0688 (3) | 0.5499 (3) | 0.0787 (11) | |
H18A | 0.156299 | −0.054494 | 0.597051 | 0.094* | |
H18B | 0.116249 | −0.023124 | 0.514621 | 0.094* | |
O19 | 0.2308 (3) | −0.2146 (3) | 0.2416 (2) | 0.0797 (11) | |
H19A | 0.258882 | −0.145513 | 0.260807 | 0.096* | |
H19B | 0.195102 | −0.225943 | 0.184956 | 0.096* | |
O20 | −0.0833 (3) | 0.1896 (4) | 0.2304 (3) | 0.0971 (14) | |
H20A | −0.019061 | 0.228664 | 0.265782 | 0.116* | |
H20B | −0.115701 | 0.141914 | 0.258972 | 0.116* | |
O21 | 0.2194 (4) | −0.3847 (4) | −0.0678 (4) | 0.1160 (17) | |
H21A | 0.203411 | −0.365805 | −0.120177 | 0.139* | |
H21B | 0.289591 | −0.392045 | −0.059657 | 0.139* | |
N6 | 0.1635 (3) | −0.2853 (2) | 0.4170 (2) | 0.0415 (7) | |
H6 | 0.204128 | −0.230599 | 0.396207 | 0.050* | |
C32 | 0.0819 (4) | −0.3642 (3) | 0.3571 (3) | 0.0446 (9) | |
H32 | 0.068083 | −0.361485 | 0.292604 | 0.054* | |
C33 | 0.0166 (3) | −0.4508 (3) | 0.3879 (3) | 0.0389 (8) | |
H33 | −0.041095 | −0.508091 | 0.344431 | 0.047* | |
C34 | 0.0350 (3) | −0.4543 (3) | 0.4822 (2) | 0.0284 (7) | |
C35 | 0.1227 (3) | −0.3697 (3) | 0.5416 (3) | 0.0417 (9) | |
H35 | 0.139033 | −0.369611 | 0.606528 | 0.050* | |
C36 | 0.1861 (4) | −0.2860 (3) | 0.5073 (3) | 0.0474 (10) | |
H36 | 0.246178 | −0.228517 | 0.548521 | 0.057* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Tb1 | 0.02201 (9) | 0.02243 (9) | 0.02108 (9) | 0.00114 (6) | 0.00463 (6) | 0.00609 (6) |
Co1 | 0.0219 (3) | 0.0250 (3) | 0.0204 (3) | −0.0015 (2) | 0.0020 (2) | 0.0065 (2) |
O1 | 0.073 (2) | 0.0328 (15) | 0.0567 (18) | −0.0088 (14) | 0.0179 (15) | 0.0191 (13) |
O2 | 0.0404 (13) | 0.0254 (12) | 0.0361 (13) | −0.0037 (10) | 0.0099 (11) | 0.0079 (10) |
O3 | 0.0464 (14) | 0.0261 (12) | 0.0239 (12) | −0.0073 (10) | 0.0057 (10) | 0.0079 (9) |
O4 | 0.0571 (16) | 0.0353 (14) | 0.0254 (12) | −0.0160 (12) | 0.0061 (11) | 0.0024 (10) |
O5 | 0.0368 (13) | 0.0354 (13) | 0.0339 (13) | 0.0094 (10) | 0.0153 (10) | 0.0152 (10) |
O6 | 0.077 (2) | 0.0547 (18) | 0.0595 (19) | 0.0198 (16) | 0.0431 (17) | 0.0322 (15) |
O7 | 0.0393 (13) | 0.0385 (13) | 0.0374 (13) | 0.0114 (11) | 0.0177 (11) | 0.0130 (11) |
O8 | 0.0424 (15) | 0.0585 (18) | 0.0550 (17) | 0.0214 (13) | 0.0213 (13) | 0.0092 (14) |
O9 | 0.0273 (12) | 0.0476 (15) | 0.0290 (12) | 0.0066 (11) | −0.0027 (10) | 0.0060 (11) |
O10 | 0.0281 (14) | 0.090 (2) | 0.0607 (19) | 0.0247 (15) | −0.0002 (13) | 0.0171 (17) |
O11 | 0.0238 (11) | 0.0344 (13) | 0.0311 (12) | 0.0061 (9) | −0.0025 (9) | −0.0008 (10) |
O12 | 0.0267 (12) | 0.0365 (13) | 0.0281 (12) | 0.0010 (10) | −0.0029 (9) | −0.0009 (10) |
O13 | 0.0271 (12) | 0.0374 (13) | 0.0303 (12) | 0.0033 (10) | 0.0042 (9) | 0.0020 (10) |
N1 | 0.0268 (13) | 0.0259 (13) | 0.0258 (13) | 0.0006 (11) | 0.0091 (11) | 0.0108 (11) |
N2 | 0.0331 (14) | 0.0250 (13) | 0.0253 (13) | 0.0068 (11) | 0.0065 (11) | 0.0051 (11) |
N3 | 0.0217 (13) | 0.0260 (13) | 0.0242 (13) | 0.0045 (10) | 0.0047 (10) | 0.0081 (10) |
N4 | 0.0333 (15) | 0.0319 (15) | 0.0285 (14) | 0.0031 (12) | 0.0086 (12) | 0.0108 (12) |
N5 | 0.057 (2) | 0.0351 (16) | 0.0352 (16) | 0.0002 (14) | 0.0194 (15) | 0.0141 (13) |
C1 | 0.0315 (17) | 0.0314 (17) | 0.0332 (18) | 0.0031 (14) | 0.0101 (14) | 0.0161 (14) |
C2 | 0.053 (2) | 0.049 (2) | 0.040 (2) | 0.0030 (19) | 0.0153 (18) | 0.0273 (18) |
C3 | 0.062 (3) | 0.059 (3) | 0.0237 (18) | −0.001 (2) | 0.0072 (17) | 0.0180 (17) |
C4 | 0.048 (2) | 0.047 (2) | 0.0281 (18) | −0.0049 (17) | 0.0062 (16) | 0.0094 (16) |
C5 | 0.0288 (16) | 0.0311 (17) | 0.0260 (16) | 0.0005 (13) | 0.0050 (13) | 0.0089 (13) |
C6 | 0.0378 (19) | 0.0266 (17) | 0.043 (2) | 0.0017 (14) | 0.0133 (16) | 0.0141 (15) |
C7 | 0.0325 (17) | 0.0278 (17) | 0.0280 (17) | −0.0029 (14) | 0.0079 (14) | 0.0075 (13) |
C8 | 0.0376 (19) | 0.0344 (18) | 0.0310 (18) | 0.0119 (15) | 0.0068 (14) | 0.0037 (14) |
C9 | 0.065 (3) | 0.059 (3) | 0.058 (3) | 0.039 (2) | 0.021 (2) | 0.023 (2) |
C10 | 0.095 (4) | 0.076 (3) | 0.074 (3) | 0.057 (3) | 0.030 (3) | 0.044 (3) |
C11 | 0.079 (3) | 0.047 (2) | 0.049 (2) | 0.027 (2) | 0.023 (2) | 0.027 (2) |
C12 | 0.045 (2) | 0.0314 (18) | 0.0257 (17) | 0.0072 (15) | 0.0093 (15) | 0.0067 (14) |
C13 | 0.0314 (17) | 0.0338 (18) | 0.0321 (18) | 0.0048 (15) | 0.0074 (14) | 0.0006 (14) |
C14 | 0.044 (2) | 0.0294 (17) | 0.0293 (17) | 0.0038 (15) | 0.0133 (15) | 0.0074 (14) |
C15 | 0.0276 (16) | 0.0371 (18) | 0.0332 (17) | 0.0118 (14) | 0.0105 (14) | 0.0139 (14) |
C16 | 0.042 (2) | 0.050 (2) | 0.058 (3) | 0.0251 (19) | 0.0129 (19) | 0.0033 (19) |
C17 | 0.059 (3) | 0.052 (3) | 0.069 (3) | 0.023 (2) | 0.017 (2) | −0.015 (2) |
C18 | 0.044 (2) | 0.045 (2) | 0.040 (2) | 0.0089 (18) | 0.0049 (17) | −0.0085 (17) |
C19 | 0.0272 (16) | 0.0265 (16) | 0.0245 (16) | 0.0017 (13) | 0.0050 (13) | 0.0041 (13) |
C20 | 0.0238 (16) | 0.045 (2) | 0.0376 (19) | 0.0089 (15) | 0.0069 (14) | 0.0219 (16) |
C21 | 0.0242 (15) | 0.0276 (16) | 0.0223 (15) | −0.0009 (13) | 0.0032 (12) | 0.0067 (13) |
C22 | 0.0343 (18) | 0.0384 (19) | 0.0275 (17) | −0.0001 (15) | 0.0037 (14) | 0.0103 (14) |
C23 | 0.0329 (18) | 0.0335 (18) | 0.0346 (18) | −0.0017 (14) | 0.0088 (14) | 0.0084 (14) |
C24 | 0.0413 (19) | 0.0262 (16) | 0.0280 (17) | 0.0049 (14) | 0.0142 (14) | 0.0089 (13) |
C25 | 0.050 (2) | 0.0317 (18) | 0.0284 (17) | 0.0016 (16) | 0.0071 (16) | 0.0095 (14) |
C26 | 0.0385 (19) | 0.0345 (18) | 0.0314 (18) | −0.0040 (15) | 0.0049 (15) | 0.0118 (15) |
C27 | 0.064 (3) | 0.035 (2) | 0.037 (2) | −0.0100 (18) | 0.0142 (19) | 0.0061 (16) |
C28 | 0.063 (3) | 0.034 (2) | 0.0329 (19) | −0.0086 (18) | 0.0147 (18) | 0.0037 (15) |
C29 | 0.044 (2) | 0.0280 (17) | 0.0315 (18) | 0.0038 (15) | 0.0132 (15) | 0.0102 (14) |
C30 | 0.070 (3) | 0.0288 (19) | 0.035 (2) | −0.0065 (18) | 0.0191 (19) | 0.0037 (15) |
C31 | 0.079 (3) | 0.037 (2) | 0.0300 (19) | −0.003 (2) | 0.0213 (19) | 0.0038 (16) |
O14 | 0.127 (3) | 0.071 (2) | 0.080 (3) | 0.044 (2) | 0.051 (2) | 0.033 (2) |
O15 | 0.089 (3) | 0.078 (3) | 0.073 (2) | 0.001 (2) | 0.000 (2) | 0.010 (2) |
O16 | 0.0523 (18) | 0.062 (2) | 0.085 (2) | 0.0097 (15) | 0.0253 (17) | 0.0191 (18) |
O17 | 0.082 (3) | 0.124 (4) | 0.124 (4) | 0.011 (3) | 0.013 (3) | 0.042 (3) |
O18 | 0.0510 (19) | 0.120 (3) | 0.078 (2) | 0.026 (2) | 0.0181 (17) | 0.047 (2) |
O19 | 0.099 (3) | 0.060 (2) | 0.063 (2) | −0.009 (2) | 0.001 (2) | 0.0199 (17) |
O20 | 0.060 (2) | 0.124 (3) | 0.088 (3) | −0.011 (2) | 0.0397 (19) | −0.015 (2) |
O21 | 0.082 (3) | 0.119 (3) | 0.131 (3) | 0.007 (2) | 0.045 (2) | −0.022 (3) |
N6 | 0.0380 (17) | 0.0313 (16) | 0.058 (2) | 0.0022 (13) | 0.0153 (15) | 0.0205 (15) |
C32 | 0.054 (2) | 0.042 (2) | 0.040 (2) | 0.0069 (18) | 0.0146 (18) | 0.0163 (17) |
C33 | 0.048 (2) | 0.0300 (18) | 0.0324 (18) | −0.0012 (16) | 0.0051 (16) | 0.0056 (14) |
C34 | 0.0292 (16) | 0.0233 (15) | 0.0326 (17) | 0.0051 (13) | 0.0065 (13) | 0.0071 (13) |
C35 | 0.045 (2) | 0.0317 (18) | 0.039 (2) | −0.0060 (16) | 0.0009 (16) | 0.0087 (15) |
C36 | 0.042 (2) | 0.0301 (19) | 0.060 (3) | −0.0070 (16) | 0.0020 (19) | 0.0101 (18) |
Tb1—O2 | 2.431 (2) | C11—C12 | 1.391 (5) |
Tb1—O3 | 2.393 (2) | C12—C14 | 1.510 (5) |
Tb1—O5 | 2.439 (2) | C15—C16 | 1.382 (5) |
Tb1—O7 | 2.409 (2) | C15—C20 | 1.505 (5) |
Tb1—O9 | 2.411 (2) | C16—H16 | 0.9500 |
Tb1—O11 | 2.451 (2) | C16—C17 | 1.380 (6) |
Tb1—N1 | 2.499 (3) | C17—H17 | 0.9500 |
Tb1—N2 | 2.520 (3) | C17—C18 | 1.378 (6) |
Tb1—N3 | 2.515 (3) | C18—H18 | 0.9500 |
Co1—O12i | 2.092 (2) | C18—C19 | 1.385 (5) |
Co1—O12 | 2.092 (2) | C19—C21 | 1.495 (5) |
Co1—O13 | 2.102 (2) | C22—H22 | 0.9500 |
Co1—O13i | 2.102 (2) | C22—C23 | 1.366 (5) |
Co1—N4i | 2.151 (3) | C23—H23 | 0.9500 |
Co1—N4 | 2.151 (3) | C23—C24 | 1.388 (5) |
O1—C6 | 1.238 (4) | C24—C25 | 1.390 (5) |
O2—C6 | 1.266 (4) | C24—C29 | 1.483 (4) |
O3—C7 | 1.263 (4) | C25—H25 | 0.9500 |
O4—C7 | 1.240 (4) | C25—C26 | 1.372 (5) |
O5—C14 | 1.262 (4) | C26—H26 | 0.9500 |
O6—C14 | 1.239 (4) | C27—H27 | 0.9500 |
O7—C13 | 1.270 (4) | C27—C28 | 1.366 (5) |
O8—C13 | 1.243 (4) | C28—H28 | 0.9500 |
O9—C20 | 1.254 (4) | C28—C29 | 1.390 (5) |
O10—C20 | 1.244 (4) | C29—C30 | 1.380 (5) |
O11—C21 | 1.256 (4) | C30—H30 | 0.9500 |
O12—C21 | 1.252 (4) | C30—C31 | 1.382 (5) |
O13—H13A | 0.8735 | C31—H31 | 0.9500 |
O13—H13B | 0.8501 | O14—H14A | 0.8500 |
N1—C1 | 1.338 (4) | O14—H14B | 0.8499 |
N1—C5 | 1.332 (4) | O15—H15A | 0.8501 |
N2—C8 | 1.335 (4) | O15—H15B | 0.8499 |
N2—C12 | 1.340 (4) | O16—H16A | 0.8504 |
N3—C15 | 1.335 (4) | O16—H16B | 0.8500 |
N3—C19 | 1.338 (4) | O17—H17A | 0.8503 |
N4—C22 | 1.347 (4) | O17—H17B | 0.8498 |
N4—C26 | 1.333 (4) | O18—H18A | 0.8501 |
N5—H5 | 0.8800 | O18—H18B | 0.8497 |
N5—C27 | 1.334 (5) | O19—H19A | 0.8500 |
N5—C31 | 1.316 (5) | O19—H19B | 0.8501 |
C1—C2 | 1.380 (5) | O20—H20A | 0.8499 |
C1—C6 | 1.517 (5) | O20—H20B | 0.8498 |
C2—H2 | 0.9500 | O21—H21A | 0.8502 |
C2—C3 | 1.382 (6) | O21—H21B | 0.8502 |
C3—H3 | 0.9500 | N6—H6 | 0.8800 |
C3—C4 | 1.390 (5) | N6—C32 | 1.321 (5) |
C4—H4 | 0.9500 | N6—C36 | 1.324 (5) |
C4—C5 | 1.382 (5) | C32—H32 | 0.9500 |
C5—C7 | 1.511 (4) | C32—C33 | 1.382 (5) |
C8—C9 | 1.378 (5) | C33—H33 | 0.9500 |
C8—C13 | 1.512 (5) | C33—C34 | 1.389 (5) |
C9—H9 | 0.9500 | C34—C34ii | 1.489 (6) |
C9—C10 | 1.384 (7) | C34—C35 | 1.387 (5) |
C10—H10 | 0.9500 | C35—H35 | 0.9500 |
C10—C11 | 1.382 (7) | C35—C36 | 1.375 (5) |
C11—H11 | 0.9500 | C36—H36 | 0.9500 |
O2—Tb1—O5 | 145.44 (8) | N2—C8—C13 | 114.1 (3) |
O2—Tb1—O11 | 78.37 (8) | C9—C8—C13 | 123.8 (3) |
O2—Tb1—N1 | 64.42 (8) | C8—C9—H9 | 120.7 |
O2—Tb1—N2 | 137.13 (9) | C8—C9—C10 | 118.6 (4) |
O2—Tb1—N3 | 71.80 (8) | C10—C9—H9 | 120.7 |
O3—Tb1—O2 | 128.23 (8) | C9—C10—H10 | 120.0 |
O3—Tb1—O5 | 78.50 (8) | C11—C10—C9 | 120.0 (4) |
O3—Tb1—O7 | 88.30 (8) | C11—C10—H10 | 120.0 |
O3—Tb1—O9 | 79.10 (9) | C10—C11—H11 | 121.1 |
O3—Tb1—O11 | 146.71 (8) | C10—C11—C12 | 117.9 (4) |
O3—Tb1—N1 | 63.89 (8) | C12—C11—H11 | 121.1 |
O3—Tb1—N2 | 75.02 (8) | N2—C12—C11 | 122.1 (3) |
O3—Tb1—N3 | 137.70 (8) | N2—C12—C14 | 114.5 (3) |
O5—Tb1—O11 | 87.75 (8) | C11—C12—C14 | 123.5 (3) |
O5—Tb1—N1 | 137.21 (8) | O7—C13—C8 | 115.8 (3) |
O5—Tb1—N2 | 63.66 (8) | O8—C13—O7 | 125.5 (3) |
O5—Tb1—N3 | 73.68 (8) | O8—C13—C8 | 118.7 (3) |
O7—Tb1—O2 | 79.81 (8) | O5—C14—C12 | 115.9 (3) |
O7—Tb1—O5 | 127.59 (8) | O6—C14—O5 | 126.1 (3) |
O7—Tb1—O9 | 149.74 (8) | O6—C14—C12 | 118.1 (3) |
O7—Tb1—O11 | 76.29 (8) | N3—C15—C16 | 122.0 (3) |
O7—Tb1—N1 | 73.13 (8) | N3—C15—C20 | 114.4 (3) |
O7—Tb1—N2 | 63.93 (8) | C16—C15—C20 | 123.7 (3) |
O7—Tb1—N3 | 133.99 (8) | C15—C16—H16 | 120.7 |
O9—Tb1—O2 | 86.57 (8) | C17—C16—C15 | 118.7 (4) |
O9—Tb1—O5 | 76.91 (8) | C17—C16—H16 | 120.7 |
O9—Tb1—O11 | 127.29 (8) | C16—C17—H17 | 120.2 |
O9—Tb1—N1 | 76.62 (8) | C18—C17—C16 | 119.6 (4) |
O9—Tb1—N2 | 136.11 (9) | C18—C17—H17 | 120.2 |
O9—Tb1—N3 | 64.08 (8) | C17—C18—H18 | 120.7 |
O11—Tb1—N1 | 135.00 (8) | C17—C18—C19 | 118.5 (4) |
O11—Tb1—N2 | 71.71 (8) | C19—C18—H18 | 120.7 |
O11—Tb1—N3 | 63.22 (8) | N3—C19—C18 | 121.9 (3) |
N1—Tb1—N2 | 120.30 (8) | N3—C19—C21 | 113.7 (3) |
N1—Tb1—N3 | 121.84 (8) | C18—C19—C21 | 124.4 (3) |
N3—Tb1—N2 | 117.78 (8) | O9—C20—C15 | 116.4 (3) |
O12i—Co1—O12 | 180.0 | O10—C20—O9 | 126.2 (3) |
O12i—Co1—O13 | 85.89 (9) | O10—C20—C15 | 117.3 (3) |
O12—Co1—O13 | 94.12 (9) | O11—C21—C19 | 116.8 (3) |
O12i—Co1—O13i | 94.12 (9) | O12—C21—O11 | 125.6 (3) |
O12—Co1—O13i | 85.88 (9) | O12—C21—C19 | 117.5 (3) |
O12i—Co1—N4i | 91.35 (10) | N4—C22—H22 | 118.5 |
O12—Co1—N4i | 88.65 (10) | N4—C22—C23 | 123.1 (3) |
O12i—Co1—N4 | 88.65 (10) | C23—C22—H22 | 118.5 |
O12—Co1—N4 | 91.35 (10) | C22—C23—H23 | 120.0 |
O13—Co1—O13i | 180.0 | C22—C23—C24 | 119.9 (3) |
O13i—Co1—N4 | 88.03 (10) | C24—C23—H23 | 120.0 |
O13—Co1—N4 | 91.97 (10) | C23—C24—C25 | 117.0 (3) |
O13i—Co1—N4i | 91.97 (10) | C23—C24—C29 | 122.2 (3) |
O13—Co1—N4i | 88.03 (10) | C25—C24—C29 | 120.8 (3) |
N4i—Co1—N4 | 180.0 | C24—C25—H25 | 120.3 |
C6—O2—Tb1 | 124.8 (2) | C26—C25—C24 | 119.5 (3) |
C7—O3—Tb1 | 126.3 (2) | C26—C25—H25 | 120.3 |
C14—O5—Tb1 | 125.6 (2) | N4—C26—C25 | 123.5 (3) |
C13—O7—Tb1 | 125.9 (2) | N4—C26—H26 | 118.2 |
C20—O9—Tb1 | 125.5 (2) | C25—C26—H26 | 118.2 |
C21—O11—Tb1 | 124.7 (2) | N5—C27—H27 | 119.7 |
C21—O12—Co1 | 129.3 (2) | N5—C27—C28 | 120.6 (3) |
Co1—O13—H13A | 97.2 | C28—C27—H27 | 119.7 |
Co1—O13—H13B | 108.8 | C27—C28—H28 | 120.0 |
H13A—O13—H13B | 106.6 | C27—C28—C29 | 120.0 (3) |
C1—N1—Tb1 | 120.1 (2) | C29—C28—H28 | 120.0 |
C5—N1—Tb1 | 120.6 (2) | C28—C29—C24 | 120.6 (3) |
C5—N1—C1 | 119.3 (3) | C30—C29—C24 | 121.5 (3) |
C8—N2—Tb1 | 120.2 (2) | C30—C29—C28 | 117.8 (3) |
C8—N2—C12 | 119.4 (3) | C29—C30—H30 | 120.2 |
C12—N2—Tb1 | 120.3 (2) | C29—C30—C31 | 119.5 (3) |
C15—N3—Tb1 | 119.6 (2) | C31—C30—H30 | 120.2 |
C15—N3—C19 | 119.4 (3) | N5—C31—C30 | 121.0 (3) |
C19—N3—Tb1 | 121.0 (2) | N5—C31—H31 | 119.5 |
C22—N4—Co1 | 121.0 (2) | C30—C31—H31 | 119.5 |
C26—N4—Co1 | 122.0 (2) | H14A—O14—H14B | 108.4 |
C26—N4—C22 | 116.9 (3) | H15A—O15—H15B | 101.8 |
C27—N5—H5 | 119.4 | H16A—O16—H16B | 108.6 |
C31—N5—H5 | 119.4 | H17A—O17—H17B | 108.7 |
C31—N5—C27 | 121.1 (3) | H18A—O18—H18B | 108.8 |
N1—C1—C2 | 121.7 (3) | H19A—O19—H19B | 108.6 |
N1—C1—C6 | 114.6 (3) | H20A—O20—H20B | 108.7 |
C2—C1—C6 | 123.7 (3) | H21A—O21—H21B | 107.9 |
C1—C2—H2 | 120.4 | C32—N6—H6 | 119.0 |
C1—C2—C3 | 119.2 (3) | C32—N6—C36 | 122.0 (3) |
C3—C2—H2 | 120.4 | C36—N6—H6 | 119.0 |
C2—C3—H3 | 120.4 | N6—C32—H32 | 119.9 |
C2—C3—C4 | 119.1 (3) | N6—C32—C33 | 120.2 (4) |
C4—C3—H3 | 120.4 | C33—C32—H32 | 119.9 |
C3—C4—H4 | 120.9 | C32—C33—H33 | 119.9 |
C5—C4—C3 | 118.2 (3) | C32—C33—C34 | 120.2 (3) |
C5—C4—H4 | 120.9 | C34—C33—H33 | 119.9 |
N1—C5—C4 | 122.6 (3) | C33—C34—C34ii | 121.5 (4) |
N1—C5—C7 | 113.6 (3) | C35—C34—C33 | 117.0 (3) |
C4—C5—C7 | 123.8 (3) | C35—C34—C34ii | 121.5 (4) |
O1—C6—O2 | 127.0 (3) | C34—C35—H35 | 119.7 |
O1—C6—C1 | 117.1 (3) | C36—C35—C34 | 120.6 (4) |
O2—C6—C1 | 115.9 (3) | C36—C35—H35 | 119.7 |
O3—C7—C5 | 115.5 (3) | N6—C36—C35 | 120.1 (4) |
O4—C7—O3 | 125.9 (3) | N6—C36—H36 | 120.0 |
O4—C7—C5 | 118.6 (3) | C35—C36—H36 | 120.0 |
N2—C8—C9 | 122.0 (4) | ||
Tb1—O2—C6—O1 | −179.4 (3) | C5—N1—C1—C2 | 0.4 (5) |
Tb1—O2—C6—C1 | −0.8 (4) | C5—N1—C1—C6 | −178.5 (3) |
Tb1—O3—C7—O4 | 176.4 (3) | C6—C1—C2—C3 | 178.7 (4) |
Tb1—O3—C7—C5 | −0.9 (4) | C8—N2—C12—C11 | −0.1 (5) |
Tb1—O5—C14—O6 | −177.7 (3) | C8—N2—C12—C14 | −179.8 (3) |
Tb1—O5—C14—C12 | 1.9 (4) | C8—C9—C10—C11 | 1.2 (8) |
Tb1—O7—C13—O8 | 179.2 (3) | C9—C8—C13—O7 | 175.7 (4) |
Tb1—O7—C13—C8 | −0.2 (4) | C9—C8—C13—O8 | −3.7 (5) |
Tb1—O9—C20—O10 | 178.5 (3) | C9—C10—C11—C12 | 0.0 (8) |
Tb1—O9—C20—C15 | −3.6 (4) | C10—C11—C12—N2 | −0.6 (6) |
Tb1—O11—C21—O12 | 171.1 (2) | C10—C11—C12—C14 | 179.1 (4) |
Tb1—O11—C21—C19 | −8.9 (4) | C11—C12—C14—O5 | −178.9 (4) |
Tb1—N1—C1—C2 | −177.3 (3) | C11—C12—C14—O6 | 0.7 (6) |
Tb1—N1—C1—C6 | 3.8 (4) | C12—N2—C8—C9 | 1.4 (5) |
Tb1—N1—C5—C4 | 177.8 (3) | C12—N2—C8—C13 | 177.5 (3) |
Tb1—N1—C5—C7 | −3.6 (4) | C13—C8—C9—C10 | −177.7 (4) |
Tb1—N2—C8—C9 | −175.5 (3) | C15—N3—C19—C18 | −0.1 (5) |
Tb1—N2—C8—C13 | 0.6 (4) | C15—N3—C19—C21 | 179.8 (3) |
Tb1—N2—C12—C11 | 176.8 (3) | C15—C16—C17—C18 | 0.1 (7) |
Tb1—N2—C12—C14 | −2.9 (4) | C16—C15—C20—O9 | −176.4 (4) |
Tb1—N3—C15—C16 | 178.6 (3) | C16—C15—C20—O10 | 1.6 (5) |
Tb1—N3—C15—C20 | 0.1 (4) | C16—C17—C18—C19 | 0.1 (7) |
Tb1—N3—C19—C18 | −178.4 (3) | C17—C18—C19—N3 | −0.1 (6) |
Tb1—N3—C19—C21 | 1.4 (3) | C17—C18—C19—C21 | −180.0 (4) |
Co1—O12—C21—O11 | −0.1 (5) | C18—C19—C21—O11 | −175.6 (3) |
Co1—O12—C21—C19 | 179.9 (2) | C18—C19—C21—O12 | 4.4 (5) |
Co1—N4—C22—C23 | −176.6 (3) | C19—N3—C15—C16 | 0.2 (5) |
Co1—N4—C26—C25 | 176.2 (3) | C19—N3—C15—C20 | −178.3 (3) |
N1—C1—C2—C3 | −0.1 (6) | C20—C15—C16—C17 | 178.2 (4) |
N1—C1—C6—O1 | 176.8 (3) | C22—N4—C26—C25 | −1.2 (6) |
N1—C1—C6—O2 | −2.0 (5) | C22—C23—C24—C25 | −0.6 (5) |
N1—C5—C7—O3 | 3.0 (4) | C22—C23—C24—C29 | 179.7 (3) |
N1—C5—C7—O4 | −174.6 (3) | C23—C24—C25—C26 | 0.3 (5) |
N2—C8—C9—C10 | −2.0 (7) | C23—C24—C29—C28 | 29.0 (6) |
N2—C8—C13—O7 | −0.3 (4) | C23—C24—C29—C30 | −152.1 (4) |
N2—C8—C13—O8 | −179.7 (3) | C24—C25—C26—N4 | 0.6 (6) |
N2—C12—C14—O5 | 0.8 (4) | C24—C29—C30—C31 | −178.9 (4) |
N2—C12—C14—O6 | −179.6 (3) | C25—C24—C29—C28 | −150.7 (4) |
N3—C15—C16—C17 | −0.2 (6) | C25—C24—C29—C30 | 28.2 (6) |
N3—C15—C20—O9 | 2.1 (4) | C26—N4—C22—C23 | 0.9 (5) |
N3—C15—C20—O10 | −179.8 (3) | C27—N5—C31—C30 | 1.2 (7) |
N3—C19—C21—O11 | 4.5 (4) | C27—C28—C29—C24 | 179.5 (4) |
N3—C19—C21—O12 | −175.5 (3) | C27—C28—C29—C30 | 0.6 (6) |
N4—C22—C23—C24 | 0.0 (6) | C28—C29—C30—C31 | 0.0 (6) |
N5—C27—C28—C29 | −0.3 (7) | C29—C24—C25—C26 | −180.0 (3) |
C1—N1—C5—C4 | 0.0 (5) | C29—C30—C31—N5 | −0.9 (7) |
C1—N1—C5—C7 | 178.6 (3) | C31—N5—C27—C28 | −0.6 (7) |
C1—C2—C3—C4 | −0.7 (7) | N6—C32—C33—C34 | 1.1 (6) |
C2—C1—C6—O1 | −2.1 (6) | C32—N6—C36—C35 | −0.9 (6) |
C2—C1—C6—O2 | 179.1 (4) | C32—C33—C34—C34ii | 179.2 (4) |
C2—C3—C4—C5 | 1.0 (6) | C32—C33—C34—C35 | −1.7 (5) |
C3—C4—C5—N1 | −0.7 (6) | C33—C34—C35—C36 | 1.0 (6) |
C3—C4—C5—C7 | −179.2 (4) | C34ii—C34—C35—C36 | −179.9 (4) |
C4—C5—C7—O3 | −178.5 (4) | C34—C35—C36—N6 | 0.2 (6) |
C4—C5—C7—O4 | 4.0 (5) | C36—N6—C32—C33 | 0.3 (6) |
Symmetry codes: (i) −x, −y, −z; (ii) −x, −y−1, −z+1. |