Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806028480/cs2013sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806028480/cs2013Isup2.hkl |
CCDC reference: 618176
Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO–SMN (Otwinowski & Minor, 1997); data reduction: DENZO–SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 1999); software used to prepare material for publication: CIFTAB (Sheldrick, 1997).
(C4H12N)[La(NO3)6]·CH4O | F(000) = 1560 |
Mr = 765.45 | Dx = 1.558 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 9.7169 (2) Å | Cell parameters from 6676 reflections |
b = 19.0510 (4) Å | θ = 1.6–27.5° |
c = 17.6572 (5) Å | µ = 1.39 mm−1 |
β = 93.379 (10)° | T = 123 K |
V = 3262.96 (13) Å3 | Needle, colourless |
Z = 4 | 0.18 × 0.08 × 0.03 mm |
Nonius KappaCCD diffractometer | 7499 independent reflections |
Radiation source: fine-focus sealed tube | 5216 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.096 |
φ and ω scans | θmax = 27.5°, θmin = 1.6° |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | h = −12→12 |
Tmin = 0.788, Tmax = 0.959 | k = −24→24 |
28586 measured reflections | l = −22→19 |
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)] = 0.055 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.145 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.2P)2] where P = (Fo2 + 2Fc2)/3 |
7499 reflections | (Δ/σ)max < 0.001 |
393 parameters | Δρmax = 1.43 e Å−3 |
0 restraints | Δρmin = −1.21 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 | ||
La1 | 0.23095 (2) | 0.411427 (14) | 0.275192 (15) | 0.02304 (11) | |
O1 | 0.1235 (3) | 0.33686 (18) | 0.38370 (19) | 0.0306 (8) | |
N1 | 0.0001 (4) | 0.3361 (2) | 0.3547 (3) | 0.0344 (10) | |
C1 | 0.0845 (7) | 0.1497 (4) | 0.4656 (5) | 0.092 (3) | |
H1A | 0.0435 | 0.1927 | 0.4437 | 0.137* | |
H1B | 0.0780 | 0.1503 | 0.5208 | 0.137* | |
H1C | 0.0349 | 0.1088 | 0.4443 | 0.137* | |
O2 | −0.0887 (4) | 0.3004 (2) | 0.3845 (3) | 0.0574 (12) | |
N2 | 0.0216 (4) | 0.4596 (3) | 0.1485 (3) | 0.0423 (12) | |
C2 | 0.2935 (6) | 0.0823 (3) | 0.4854 (3) | 0.0432 (14) | |
H2A | 0.2420 | 0.0402 | 0.4687 | 0.065* | |
H2B | 0.2912 | 0.0870 | 0.5406 | 0.065* | |
H2C | 0.3893 | 0.0781 | 0.4715 | 0.065* | |
O3 | −0.0262 (3) | 0.3721 (2) | 0.2961 (2) | 0.0370 (9) | |
N3 | 0.4638 (4) | 0.4820 (2) | 0.1912 (3) | 0.0323 (10) | |
C3 | 0.2427 (8) | 0.1423 (4) | 0.3657 (3) | 0.074 (2) | |
H3A | 0.1911 | 0.1019 | 0.3447 | 0.111* | |
H3B | 0.3402 | 0.1374 | 0.3553 | 0.111* | |
H3C | 0.2058 | 0.1855 | 0.3421 | 0.111* | |
O4 | 0.0841 (4) | 0.40134 (19) | 0.1469 (2) | 0.0351 (9) | |
N4 | 0.4416 (4) | 0.3589 (2) | 0.3993 (2) | 0.0299 (10) | |
C4 | 0.3069 (11) | 0.2090 (4) | 0.4760 (5) | 0.102 (3) | |
H4A | 0.4058 | 0.2016 | 0.4710 | 0.153* | |
H4B | 0.2897 | 0.2169 | 0.5295 | 0.153* | |
H4C | 0.2763 | 0.2500 | 0.4461 | 0.153* | |
O5 | −0.0600 (5) | 0.4768 (3) | 0.0965 (3) | 0.0783 (16) | |
N5 | 0.2752 (4) | 0.2733 (2) | 0.1896 (3) | 0.0341 (10) | |
C5 | 0.7560 (6) | 0.4622 (3) | 0.4178 (4) | 0.0521 (16) | |
H5A | 0.8532 | 0.4482 | 0.4204 | 0.078* | |
H5B | 0.7042 | 0.4332 | 0.3802 | 0.078* | |
H5C | 0.7185 | 0.4558 | 0.4677 | 0.078* | |
O6 | 0.0481 (3) | 0.49864 (19) | 0.2064 (2) | 0.0362 (9) | |
N6 | 0.1908 (4) | 0.5472 (2) | 0.3648 (2) | 0.0279 (9) | |
C6 | 0.8333 (5) | 0.5821 (3) | 0.4480 (3) | 0.0301 (12) | |
H6A | 0.9299 | 0.5685 | 0.4443 | 0.045* | |
H6B | 0.8065 | 0.5748 | 0.5001 | 0.045* | |
H6C | 0.8219 | 0.6317 | 0.4345 | 0.045* | |
O7 | 0.3395 (3) | 0.48478 (18) | 0.16396 (19) | 0.0297 (8) | |
N7 | 0.2291 (5) | 0.1456 (2) | 0.4479 (2) | 0.0370 (11) | |
C7 | 0.7881 (5) | 0.5466 (3) | 0.3162 (3) | 0.0326 (12) | |
H7A | 0.7884 | 0.5966 | 0.3029 | 0.049* | |
H7B | 0.7237 | 0.5215 | 0.2810 | 0.049* | |
H7C | 0.8810 | 0.5273 | 0.3128 | 0.049* | |
O8 | 0.5575 (4) | 0.5104 (2) | 0.1577 (2) | 0.0473 (10) | |
N8 | 0.7441 (4) | 0.5383 (2) | 0.3950 (2) | 0.0239 (9) | |
C8 | 0.5978 (4) | 0.5608 (3) | 0.3983 (3) | 0.0295 (11) | |
H8A | 0.5689 | 0.5553 | 0.4502 | 0.044* | |
H8B | 0.5393 | 0.5317 | 0.3638 | 0.044* | |
H8C | 0.5889 | 0.6101 | 0.3831 | 0.044* | |
O9 | 0.4876 (3) | 0.44954 (18) | 0.25298 (19) | 0.0276 (8) | |
N9 | 0.2717 (5) | 0.7802 (3) | 0.3584 (3) | 0.0474 (13) | |
C9 | 0.3656 (6) | 0.7492 (4) | 0.4175 (5) | 0.072 (2) | |
H9A | 0.3456 | 0.6990 | 0.4221 | 0.108* | |
H9B | 0.3528 | 0.7724 | 0.4661 | 0.108* | |
H9C | 0.4611 | 0.7554 | 0.4038 | 0.108* | |
O10 | 0.3848 (3) | 0.41869 (17) | 0.40340 (19) | 0.0267 (8) | |
C10 | 0.2993 (7) | 0.8572 (4) | 0.3488 (5) | 0.079 (3) | |
H10A | 0.3969 | 0.8643 | 0.3399 | 0.119* | |
H10B | 0.2767 | 0.8824 | 0.3949 | 0.119* | |
H10C | 0.2423 | 0.8752 | 0.3055 | 0.119* | |
O11 | 0.5191 (4) | 0.3366 (2) | 0.4508 (2) | 0.0449 (10) | |
C11 | 0.1256 (6) | 0.7706 (4) | 0.3728 (6) | 0.095 (3) | |
H11A | 0.0683 | 0.7944 | 0.3331 | 0.143* | |
H11B | 0.1073 | 0.7906 | 0.4223 | 0.143* | |
H11C | 0.1037 | 0.7204 | 0.3725 | 0.143* | |
O12 | 0.4129 (3) | 0.32337 (19) | 0.3398 (2) | 0.0329 (8) | |
C12 | 0.2940 (8) | 0.7460 (4) | 0.2862 (4) | 0.067 (2) | |
H12A | 0.2861 | 0.6950 | 0.2921 | 0.100* | |
H12B | 0.3863 | 0.7576 | 0.2704 | 0.100* | |
H12C | 0.2247 | 0.7624 | 0.2477 | 0.100* | |
O13 | 0.3444 (3) | 0.32762 (18) | 0.17574 (19) | 0.0294 (8) | |
C13 | 0.3068 (11) | 0.6537 (5) | 0.1212 (6) | 0.112 (4) | |
H13A | 0.3746 | 0.6489 | 0.1643 | 0.168* | |
H13B | 0.2160 | 0.6387 | 0.1366 | 0.168* | |
H13C | 0.3022 | 0.7028 | 0.1049 | 0.168* | |
O14 | 0.2990 (5) | 0.2174 (2) | 0.1583 (3) | 0.0626 (13) | |
O15 | 0.1835 (3) | 0.27809 (18) | 0.2367 (2) | 0.0323 (8) | |
O16 | 0.1193 (3) | 0.49274 (17) | 0.37503 (19) | 0.0276 (8) | |
O17 | 0.1742 (4) | 0.60053 (19) | 0.4019 (2) | 0.0451 (10) | |
O18 | 0.2788 (3) | 0.54431 (18) | 0.31499 (19) | 0.0315 (8) | |
O19 | 0.3449 (7) | 0.6128 (3) | 0.0630 (3) | 0.0938 (19) | |
H14 | 0.3423 | 0.5704 | 0.0758 | 0.113* |
U11 | U22 | U33 | U12 | U13 | U23 | |
La1 | 0.02176 (16) | 0.01852 (17) | 0.02843 (18) | −0.00156 (11) | −0.00191 (11) | −0.00246 (12) |
O1 | 0.0275 (18) | 0.026 (2) | 0.039 (2) | −0.0054 (14) | 0.0019 (15) | 0.0000 (16) |
N1 | 0.027 (2) | 0.026 (3) | 0.051 (3) | −0.0026 (19) | 0.007 (2) | −0.004 (2) |
C1 | 0.064 (5) | 0.096 (7) | 0.119 (7) | 0.038 (4) | 0.037 (5) | 0.066 (6) |
O2 | 0.036 (2) | 0.042 (3) | 0.095 (4) | −0.0150 (19) | 0.016 (2) | 0.014 (2) |
N2 | 0.034 (2) | 0.042 (3) | 0.050 (3) | 0.005 (2) | −0.010 (2) | 0.006 (3) |
C2 | 0.054 (3) | 0.037 (4) | 0.038 (3) | −0.004 (3) | 0.000 (3) | 0.004 (3) |
O3 | 0.0270 (17) | 0.034 (2) | 0.050 (2) | −0.0026 (16) | −0.0017 (16) | 0.0030 (19) |
N3 | 0.034 (2) | 0.025 (2) | 0.038 (3) | −0.0016 (19) | 0.004 (2) | −0.007 (2) |
C3 | 0.112 (6) | 0.082 (6) | 0.029 (4) | 0.032 (5) | 0.014 (4) | 0.008 (4) |
O4 | 0.039 (2) | 0.026 (2) | 0.038 (2) | 0.0028 (16) | −0.0147 (16) | −0.0046 (16) |
N4 | 0.029 (2) | 0.028 (3) | 0.032 (3) | −0.0038 (19) | −0.0011 (18) | 0.007 (2) |
C4 | 0.184 (10) | 0.035 (5) | 0.080 (6) | −0.040 (5) | −0.044 (6) | 0.001 (4) |
O5 | 0.083 (3) | 0.077 (4) | 0.069 (3) | 0.034 (3) | −0.049 (3) | 0.002 (3) |
N5 | 0.045 (3) | 0.020 (2) | 0.037 (3) | 0.000 (2) | −0.001 (2) | −0.007 (2) |
C5 | 0.063 (4) | 0.025 (3) | 0.068 (4) | 0.004 (3) | 0.000 (3) | 0.008 (3) |
O6 | 0.0347 (19) | 0.027 (2) | 0.047 (2) | 0.0047 (16) | 0.0018 (17) | 0.0010 (18) |
N6 | 0.028 (2) | 0.020 (2) | 0.035 (2) | 0.0008 (18) | −0.0033 (18) | −0.0025 (19) |
C6 | 0.024 (2) | 0.043 (3) | 0.023 (3) | −0.004 (2) | −0.0008 (19) | −0.006 (2) |
O7 | 0.0289 (18) | 0.026 (2) | 0.034 (2) | −0.0040 (15) | 0.0002 (15) | 0.0016 (16) |
N7 | 0.056 (3) | 0.029 (3) | 0.026 (2) | −0.004 (2) | 0.004 (2) | 0.004 (2) |
C7 | 0.033 (3) | 0.044 (4) | 0.021 (3) | 0.003 (2) | 0.002 (2) | −0.005 (2) |
O8 | 0.041 (2) | 0.054 (3) | 0.048 (2) | −0.0100 (19) | 0.0128 (18) | 0.011 (2) |
N8 | 0.0253 (19) | 0.020 (2) | 0.026 (2) | −0.0008 (16) | 0.0018 (16) | 0.0001 (17) |
C8 | 0.019 (2) | 0.033 (3) | 0.036 (3) | 0.001 (2) | 0.003 (2) | −0.006 (2) |
O9 | 0.0284 (16) | 0.028 (2) | 0.0266 (19) | −0.0039 (15) | −0.0001 (14) | −0.0046 (16) |
N9 | 0.036 (2) | 0.040 (3) | 0.064 (4) | −0.002 (2) | −0.008 (2) | 0.010 (3) |
C9 | 0.041 (3) | 0.069 (6) | 0.105 (6) | 0.000 (3) | −0.012 (4) | 0.035 (5) |
O10 | 0.0290 (17) | 0.021 (2) | 0.0299 (19) | 0.0000 (14) | 0.0028 (14) | 0.0028 (15) |
C10 | 0.054 (4) | 0.038 (4) | 0.144 (7) | −0.007 (3) | −0.008 (4) | 0.035 (5) |
O11 | 0.050 (2) | 0.046 (3) | 0.036 (2) | 0.0051 (19) | −0.0164 (18) | 0.0123 (19) |
C11 | 0.033 (3) | 0.055 (5) | 0.198 (10) | 0.010 (3) | 0.008 (5) | 0.045 (6) |
O12 | 0.0353 (18) | 0.026 (2) | 0.036 (2) | 0.0034 (15) | −0.0045 (15) | −0.0008 (17) |
C12 | 0.073 (5) | 0.071 (6) | 0.056 (5) | −0.008 (4) | −0.005 (3) | 0.002 (4) |
O13 | 0.0308 (17) | 0.0201 (19) | 0.037 (2) | −0.0033 (15) | 0.0043 (15) | −0.0060 (16) |
C13 | 0.148 (9) | 0.076 (7) | 0.116 (8) | 0.048 (6) | 0.043 (7) | 0.014 (6) |
O14 | 0.089 (3) | 0.023 (2) | 0.078 (3) | −0.005 (2) | 0.026 (3) | −0.018 (2) |
O15 | 0.0345 (18) | 0.024 (2) | 0.038 (2) | −0.0019 (15) | 0.0001 (16) | −0.0023 (16) |
O16 | 0.0227 (16) | 0.0216 (19) | 0.038 (2) | −0.0018 (14) | 0.0029 (14) | −0.0059 (15) |
O17 | 0.059 (2) | 0.022 (2) | 0.056 (3) | 0.0007 (18) | 0.013 (2) | −0.0155 (18) |
O18 | 0.0284 (17) | 0.027 (2) | 0.039 (2) | −0.0006 (15) | 0.0028 (16) | −0.0030 (16) |
O19 | 0.165 (6) | 0.047 (3) | 0.072 (4) | 0.019 (4) | 0.030 (4) | 0.001 (3) |
La1—O1 | 2.649 (3) | N5—O13 | 1.266 (5) |
La1—O3 | 2.655 (3) | C5—N8 | 1.508 (7) |
La1—O4 | 2.612 (4) | C5—H5A | 0.9800 |
La1—O6 | 2.672 (3) | C5—H5B | 0.9800 |
La1—O7 | 2.677 (3) | C5—H5C | 0.9800 |
La1—O9 | 2.649 (3) | N6—O17 | 1.225 (5) |
La1—O10 | 2.642 (3) | N6—O18 | 1.263 (5) |
La1—O12 | 2.647 (3) | N6—O16 | 1.267 (5) |
La1—O13 | 2.660 (3) | C6—N8 | 1.492 (6) |
La1—O15 | 2.663 (3) | C6—H6A | 0.9800 |
La1—O16 | 2.629 (3) | C6—H6B | 0.9800 |
La1—O18 | 2.661 (3) | C6—H6C | 0.9800 |
O1—N1 | 1.276 (5) | C7—N8 | 1.488 (6) |
N1—O2 | 1.239 (5) | C7—H7A | 0.9800 |
N1—O3 | 1.256 (5) | C7—H7B | 0.9800 |
C1—N7 | 1.460 (7) | C7—H7C | 0.9800 |
C1—H1A | 0.9800 | N8—C8 | 1.489 (5) |
C1—H1B | 0.9800 | C8—H8A | 0.9800 |
C1—H1C | 0.9800 | C8—H8B | 0.9800 |
N2—O5 | 1.222 (6) | C8—H8C | 0.9800 |
N2—O4 | 1.267 (6) | N9—C12 | 1.460 (8) |
N2—O6 | 1.278 (6) | N9—C11 | 1.468 (8) |
C2—N7 | 1.496 (7) | N9—C9 | 1.469 (8) |
C2—H2A | 0.9800 | N9—C10 | 1.503 (8) |
C2—H2B | 0.9800 | C9—H9A | 0.9800 |
C2—H2C | 0.9800 | C9—H9B | 0.9800 |
N3—O8 | 1.240 (5) | C9—H9C | 0.9800 |
N3—O9 | 1.263 (5) | C10—H10A | 0.9800 |
N3—O7 | 1.275 (5) | C10—H10B | 0.9800 |
C3—N7 | 1.466 (7) | C10—H10C | 0.9800 |
C3—H3A | 0.9800 | C11—H11A | 0.9800 |
C3—H3B | 0.9800 | C11—H11B | 0.9800 |
C3—H3C | 0.9800 | C11—H11C | 0.9800 |
N4—O11 | 1.221 (5) | C12—H12A | 0.9800 |
N4—O12 | 1.267 (5) | C12—H12B | 0.9800 |
N4—O10 | 1.270 (5) | C12—H12C | 0.9800 |
C4—N7 | 1.494 (8) | C13—O19 | 1.359 (9) |
C4—H4A | 0.9800 | C13—H13A | 0.9800 |
C4—H4B | 0.9800 | C13—H13B | 0.9800 |
C4—H4C | 0.9800 | C13—H13C | 0.9800 |
N5—O14 | 1.228 (5) | O19—H14 | 0.8400 |
N5—O15 | 1.259 (5) | ||
O1—La1—O3 | 48.2 (1) | O12—N4—O10 | 116.8 (4) |
O4—La1—O6 | 48.4 (1) | N7—C4—H4A | 109.5 |
O7—La1—O9 | 48.2 (1) | N7—C4—H4B | 109.5 |
O10—La1—O12 | 48.2 (1) | H4A—C4—H4B | 109.5 |
O13—La1—O15 | 48.0 (1) | N7—C4—H4C | 109.5 |
O16—La1—O18 | 48.3 (1) | H4A—C4—H4C | 109.5 |
O4—La1—O16 | 113.5 (1) | H4B—C4—H4C | 109.5 |
O4—La1—O10 | 178.2 (1) | O14—N5—O15 | 121.3 (4) |
O16—La1—O10 | 68.3 (1) | O14—N5—O13 | 120.5 (4) |
O4—La1—O12 | 130.1 (1) | O15—N5—O13 | 118.2 (4) |
O16—La1—O12 | 112.1 (1) | N8—C5—H5A | 109.5 |
O4—La1—O1 | 111.7 (1) | N8—C5—H5B | 109.5 |
O16—La1—O1 | 68.6 (1) | H5A—C5—H5B | 109.5 |
O10—La1—O1 | 68.6 (1) | N8—C5—H5C | 109.5 |
O12—La1—O1 | 68.3 (1) | H5A—C5—H5C | 109.5 |
O4—La1—O9 | 111.3 (1) | H5B—C5—H5C | 109.5 |
O16—La1—O9 | 111.5 (1) | N2—O6—La1 | 95.7 (3) |
O10—La1—O9 | 67.8 (1) | O17—N6—O18 | 121.6 (4) |
O12—La1—O9 | 68.1 (1) | O17—N6—O16 | 120.8 (4) |
O1—La1—O9 | 132.0 (1) | O18—N6—O16 | 117.6 (4) |
O4—La1—O3 | 68.2 (1) | O17—N6—La1 | 178.6 (3) |
O16—La1—O3 | 69.2 (1) | O18—N6—La1 | 59.5 (2) |
O10—La1—O3 | 112.7 (1) | O16—N6—La1 | 58.1 (2) |
O12—La1—O3 | 111.8 (1) | N8—C6—H6A | 109.5 |
O9—La1—O3 | 179.3 (1) | N8—C6—H6B | 109.5 |
O4—La1—O13 | 67.0 (1) | H6A—C6—H6B | 109.5 |
O16—La1—O13 | 179.1 (1) | N8—C6—H6C | 109.5 |
O10—La1—O13 | 111.2 (1) | H6A—C6—H6C | 109.5 |
O12—La1—O13 | 67.2 (1) | H6B—C6—H6C | 109.5 |
O1—La1—O13 | 110.6 (1) | N3—O7—La1 | 96.1 (3) |
O9—La1—O13 | 68.7 (1) | C1—N7—C3 | 111.0 (5) |
O3—La1—O13 | 110.6 (1) | C1—N7—C4 | 111.1 (6) |
O4—La1—O18 | 112.2 (1) | C3—N7—C4 | 106.9 (6) |
O10—La1—O18 | 69.1 (1) | C1—N7—C2 | 109.3 (4) |
O12—La1—O18 | 112.8 (1) | C3—N7—C2 | 110.2 (5) |
O1—La1—O18 | 112.9 (1) | C4—N7—C2 | 108.3 (5) |
O9—La1—O18 | 68.1 (1) | N8—C7—H7A | 109.5 |
O3—La1—O18 | 112.5 (1) | N8—C7—H7B | 109.5 |
O13—La1—O18 | 132.3 (1) | H7A—C7—H7B | 109.5 |
O4—La1—O15 | 68.4 (1) | N8—C7—H7C | 109.5 |
O16—La1—O15 | 131.4 (1) | H7A—C7—H7C | 109.5 |
O10—La1—O15 | 110.4 (1) | H7B—C7—H7C | 109.5 |
O12—La1—O15 | 66.8 (1) | C7—N8—C8 | 109.5 (4) |
O1—La1—O15 | 66.6 (1) | C7—N8—C6 | 109.9 (4) |
O9—La1—O15 | 112.0 (1) | C8—N8—C6 | 109.6 (4) |
O3—La1—O15 | 67.4 (1) | C7—N8—C5 | 109.3 (4) |
O18—La1—O15 | 179.5 (1) | C8—N8—C5 | 108.9 (4) |
O16—La1—O6 | 69.4 (1) | C6—N8—C5 | 109.7 (4) |
O10—La1—O6 | 133.2 (1) | N8—C8—H8A | 109.5 |
O12—La1—O6 | 178.5 (1) | N8—C8—H8B | 109.5 |
O1—La1—O6 | 112.5 (1) | H8A—C8—H8B | 109.5 |
O9—La1—O6 | 111.7 (1) | N8—C8—H8C | 109.5 |
O3—La1—O6 | 68.4 (1) | H8A—C8—H8C | 109.5 |
O13—La1—O6 | 111.3 (1) | H8B—C8—H8C | 109.5 |
O18—La1—O6 | 68.3 (1) | N3—O9—La1 | 97.8 (2) |
O15—La1—O6 | 112.1 (1) | C12—N9—C11 | 106.8 (6) |
O4—La1—O7 | 67.7 (1) | C12—N9—C9 | 108.8 (6) |
O16—La1—O7 | 112.4 (1) | C11—N9—C9 | 113.2 (5) |
O10—La1—O7 | 112.0 (1) | C12—N9—C10 | 107.5 (6) |
O12—La1—O7 | 111.4 (1) | C11—N9—C10 | 108.8 (5) |
O1—La1—O7 | 179.0 (1) | C9—N9—C10 | 111.5 (5) |
O3—La1—O7 | 131.6 (1) | N9—C9—H9A | 109.5 |
O13—La1—O7 | 68.4 (1) | N9—C9—H9B | 109.5 |
O18—La1—O7 | 68.1 (1) | H9A—C9—H9B | 109.5 |
O15—La1—O7 | 112.4 (1) | N9—C9—H9C | 109.5 |
O6—La1—O7 | 67.8 (1) | H9A—C9—H9C | 109.5 |
N1—O1—La1 | 96.7 (3) | H9B—C9—H9C | 109.5 |
O2—N1—O3 | 122.4 (4) | N4—O10—La1 | 97.5 (3) |
O2—N1—O1 | 119.8 (5) | N9—C10—H10A | 109.5 |
O3—N1—O1 | 117.8 (4) | N9—C10—H10B | 109.5 |
N7—C1—H1A | 109.5 | H10A—C10—H10B | 109.5 |
N7—C1—H1B | 109.5 | N9—C10—H10C | 109.5 |
H1A—C1—H1B | 109.5 | H10A—C10—H10C | 109.5 |
N7—C1—H1C | 109.5 | H10B—C10—H10C | 109.5 |
H1A—C1—H1C | 109.5 | N9—C11—H11A | 109.5 |
H1B—C1—H1C | 109.5 | N9—C11—H11B | 109.5 |
O5—N2—O4 | 120.6 (5) | H11A—C11—H11B | 109.5 |
O5—N2—O6 | 122.5 (5) | N9—C11—H11C | 109.5 |
O4—N2—O6 | 117.0 (4) | H11A—C11—H11C | 109.5 |
N7—C2—H2A | 109.5 | H11B—C11—H11C | 109.5 |
N7—C2—H2B | 109.5 | N4—O12—La1 | 97.3 (3) |
H2A—C2—H2B | 109.5 | N9—C12—H12A | 109.5 |
N7—C2—H2C | 109.5 | N9—C12—H12B | 109.5 |
H2A—C2—H2C | 109.5 | H12A—C12—H12B | 109.5 |
H2B—C2—H2C | 109.5 | N9—C12—H12C | 109.5 |
N1—O3—La1 | 96.9 (2) | H12A—C12—H12C | 109.5 |
O8—N3—O9 | 121.6 (4) | H12B—C12—H12C | 109.5 |
O8—N3—O7 | 120.5 (4) | N5—O13—La1 | 96.8 (3) |
O9—N3—O7 | 117.9 (4) | O19—C13—H13A | 109.5 |
N7—C3—H3A | 109.5 | O19—C13—H13B | 109.5 |
N7—C3—H3B | 109.5 | H13A—C13—H13B | 109.5 |
H3A—C3—H3B | 109.5 | O19—C13—H13C | 109.5 |
N7—C3—H3C | 109.5 | H13A—C13—H13C | 109.5 |
H3A—C3—H3C | 109.5 | H13B—C13—H13C | 109.5 |
H3B—C3—H3C | 109.5 | N5—O15—La1 | 96.8 (3) |
N2—O4—La1 | 98.9 (3) | N6—O16—La1 | 97.8 (2) |
O11—N4—O12 | 121.8 (5) | N6—O18—La1 | 96.3 (3) |
O11—N4—O10 | 121.3 (4) | C13—O19—H14 | 109.5 |