Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805042017/ac6221sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805042017/ac6221Isup2.hkl |
CCDC reference: 298350
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1999); software used to prepare material for publication: SHELXTL.
[Ba6(C4H9S)10S(C5H9NO)6] | F(000) = 2328 |
Mr = 2340.60 | Dx = 1.482 Mg m−3 |
Monoclinic, C2 | Mo Kα radiation, λ = 0.71073 Å |
a = 21.0316 (11) Å | Cell parameters from 7746 reflections |
b = 21.7686 (11) Å | θ = 2.6–29.2° |
c = 15.2669 (8) Å | µ = 2.48 mm−1 |
β = 131.391 (1)° | T = 296 K |
V = 5243.7 (5) Å3 | Chunk, clear |
Z = 2 | 0.4 × 0.3 × 0.2 mm |
Bruker SMART 1K CCD area-detector diffractometer | 11503 independent reflections |
Radiation source: fine-focus sealed tube | 9871 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.023 |
φ and ω scans | θmax = 29.3°, θmin = 1.6° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −27→25 |
Tmin = 0.498, Tmax = 0.609 | k = −29→29 |
21162 measured reflections | l = −20→20 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.036 | H-atom parameters constrained |
wR(F2) = 0.082 | w = 1/[σ2(Fo2) + (0.029P)2 + 14.7453P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max = 0.006 |
11503 reflections | Δρmax = 0.65 e Å−3 |
416 parameters | Δρmin = −0.63 e Å−3 |
43 restraints | Absolute structure: Flack (1983), 4126 Friedel pairs? |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.45 (2) |
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 | Occ. (<1) | |
Ba1 | 0.5000 | 0.07550 (8) | 0.5000 | 0.0459 (2) | |
Ba2 | 0.5000 | −0.22497 (8) | 0.5000 | 0.04102 (18) | |
Ba3 | 0.625893 (16) | −0.07280 (8) | 0.45870 (2) | 0.04401 (7) | |
Ba4 | 0.342944 (16) | −0.07566 (8) | 0.22212 (2) | 0.04351 (7) | |
S | 0.5000 | −0.07433 (18) | 0.5000 | 0.0357 (3) | |
S11 | 0.48132 (17) | 0.02489 (13) | 0.2883 (2) | 0.0531 (6) | |
S21 | 0.48445 (16) | −0.17189 (13) | 0.2870 (2) | 0.0477 (6) | |
S12 | 0.69401 (17) | 0.02129 (13) | 0.6602 (3) | 0.0541 (6) | |
S22 | 0.69087 (17) | −0.17457 (13) | 0.6531 (2) | 0.0517 (6) | |
S4A | 0.2074 (3) | −0.0734 (5) | −0.0526 (3) | 0.0938 (16) | 0.810 (15) |
S4B | 0.2290 (13) | −0.1022 (14) | −0.0373 (15) | 0.0938 (16) | 0.190 (15) |
O1A | 0.4062 (5) | 0.1789 (3) | 0.4249 (8) | 0.142 (3) | |
C1A | 0.3823 (6) | 0.2301 (4) | 0.4107 (12) | 0.102 (3) | |
N2A | 0.3324 (7) | 0.2611 (5) | 0.3212 (12) | 0.138 (4) | |
C3A | 0.2818 (11) | 0.2352 (8) | 0.2105 (16) | 0.202 (8) | |
H3AA | 0.3081 | 0.1984 | 0.2129 | 0.303* | |
H3AB | 0.2752 | 0.2639 | 0.1572 | 0.303* | |
H3AC | 0.2272 | 0.2255 | 0.1848 | 0.303* | |
C4A | 0.3127 (11) | 0.3231 (7) | 0.3301 (18) | 0.156 (8) | |
H4AA | 0.2678 | 0.3482 | 0.2725 | 0.187* | |
C5A | 0.3790 (14) | 0.3351 (7) | 0.4483 (18) | 0.169 (8) | |
H5AA | 0.3579 | 0.3585 | 0.4785 | 0.203* | |
H5AB | 0.4218 | 0.3596 | 0.4579 | 0.203* | |
C6A | 0.4197 (9) | 0.2742 (5) | 0.5189 (14) | 0.143 (5) | |
H6AA | 0.4000 | 0.2631 | 0.5590 | 0.172* | |
H6AB | 0.4811 | 0.2757 | 0.5740 | 0.172* | |
O1B | 0.5597 (4) | −0.3248 (2) | 0.6384 (5) | 0.0873 (17) | |
C1B | 0.5795 (6) | −0.3529 (4) | 0.7227 (7) | 0.079 (2) | |
N2B | 0.6495 (5) | −0.3485 (4) | 0.8277 (7) | 0.092 (2) | |
C3B | 0.7147 (7) | −0.3084 (5) | 0.8620 (10) | 0.122 (4) | |
H3BA | 0.6945 | −0.2814 | 0.7984 | 0.183* | |
H3BB | 0.7618 | −0.3317 | 0.8831 | 0.183* | |
H3BC | 0.7324 | −0.2846 | 0.9278 | 0.183* | |
C4B | 0.6600 (7) | −0.3879 (5) | 0.9140 (9) | 0.099 (3) | |
H4BA | 0.6779 | −0.3644 | 0.9810 | 0.119* | |
H4BB | 0.7010 | −0.4203 | 0.9402 | 0.119* | |
C5B | 0.5730 (8) | −0.4137 (6) | 0.8474 (10) | 0.130 (4) | |
H5BA | 0.5452 | −0.3939 | 0.8711 | 0.156* | |
H5BB | 0.5759 | −0.4575 | 0.8613 | 0.156* | |
C6B | 0.5254 (8) | −0.4013 (5) | 0.7202 (9) | 0.111 (3) | |
H6BA | 0.4690 | −0.3856 | 0.6811 | 0.133* | |
H6BB | 0.5205 | −0.4383 | 0.6808 | 0.133* | |
O1C | 0.7173 (3) | −0.0532 (2) | 0.3931 (4) | 0.0708 (14) | |
C1C | 0.7583 (4) | −0.0239 (3) | 0.3758 (6) | 0.0598 (16) | |
N2C | 0.7398 (4) | −0.0202 (3) | 0.2739 (6) | 0.0694 (16) | |
C3C | 0.6653 (6) | −0.0475 (4) | 0.1661 (7) | 0.097 (3) | |
H3CA | 0.6422 | −0.0781 | 0.1836 | 0.146* | |
H3CB | 0.6809 | −0.0664 | 0.1257 | 0.146* | |
H3CC | 0.6237 | −0.0163 | 0.1177 | 0.146* | |
C4C | 0.7918 (8) | 0.0211 (6) | 0.2726 (10) | 0.099 (4) | |
H4CA | 0.7623 | 0.0594 | 0.2349 | 0.118* | |
H4CB | 0.8082 | 0.0032 | 0.2319 | 0.118* | |
C5C | 0.8662 (9) | 0.0311 (7) | 0.3963 (13) | 0.127 (5) | |
H5CA | 0.8841 | 0.0737 | 0.4105 | 0.152* | |
H5CB | 0.9130 | 0.0052 | 0.4207 | 0.152* | |
C6C | 0.8354 (6) | 0.0135 (5) | 0.4625 (8) | 0.092 (3) | |
H6CA | 0.8781 | −0.0102 | 0.5322 | 0.110* | |
H6CB | 0.8220 | 0.0498 | 0.4844 | 0.110* | |
C111 | 0.4834 (4) | 0.0819 (2) | 0.2016 (5) | 0.0628 (17) | |
C112 | 0.4393 (8) | 0.0561 (6) | 0.0808 (7) | 0.099 (5)* | 0.636 (14) |
H11A | 0.4394 | 0.0864 | 0.0352 | 0.149* | 0.636 (14) |
H11B | 0.3819 | 0.0455 | 0.0430 | 0.149* | 0.636 (14) |
H11C | 0.4687 | 0.0200 | 0.0879 | 0.149* | 0.636 (14) |
C113 | 0.5754 (4) | 0.0958 (7) | 0.2637 (11) | 0.127 (7)* | 0.636 (14) |
H11D | 0.5778 | 0.1257 | 0.2196 | 0.191* | 0.636 (14) |
H11E | 0.6033 | 0.0588 | 0.2705 | 0.191* | 0.636 (14) |
H11F | 0.6034 | 0.1118 | 0.3401 | 0.191* | 0.636 (14) |
C114 | 0.4391 (8) | 0.1406 (5) | 0.1900 (12) | 0.125 (7)* | 0.636 (14) |
H11G | 0.4396 | 0.1696 | 0.1432 | 0.188* | 0.636 (14) |
H11H | 0.4682 | 0.1577 | 0.2661 | 0.188* | 0.636 (14) |
H11I | 0.3816 | 0.1315 | 0.1535 | 0.188* | 0.636 (14) |
C115 | 0.3948 (6) | 0.0890 (10) | 0.0828 (10) | 0.119 (12)* | 0.364 (14) |
H11J | 0.3960 | 0.1187 | 0.0375 | 0.179* | 0.364 (14) |
H11K | 0.3567 | 0.1025 | 0.0931 | 0.179* | 0.364 (14) |
H11L | 0.3759 | 0.0502 | 0.0430 | 0.179* | 0.364 (14) |
C116 | 0.5437 (11) | 0.0601 (10) | 0.1853 (19) | 0.095 (9)* | 0.364 (14) |
H11M | 0.5444 | 0.0895 | 0.1390 | 0.142* | 0.364 (14) |
H11N | 0.5250 | 0.0211 | 0.1463 | 0.142* | 0.364 (14) |
H11O | 0.5997 | 0.0561 | 0.2601 | 0.142* | 0.364 (14) |
C117 | 0.5135 (13) | 0.1434 (6) | 0.2644 (18) | 0.111 (10)* | 0.364 (14) |
H11P | 0.5133 | 0.1733 | 0.2180 | 0.166* | 0.364 (14) |
H11Q | 0.5699 | 0.1392 | 0.3386 | 0.166* | 0.364 (14) |
H11R | 0.4762 | 0.1567 | 0.2764 | 0.166* | 0.364 (14) |
C121 | 0.7956 (3) | 0.0548 (2) | 0.7238 (4) | 0.0576 (18) | |
C122 | 0.8516 (5) | 0.0050 (3) | 0.7356 (7) | 0.089 (2)* | |
H12A | 0.9053 | 0.0224 | 0.7684 | 0.134* | |
H12B | 0.8247 | −0.0118 | 0.6600 | 0.134* | |
H12C | 0.8603 | −0.0270 | 0.7859 | 0.134* | |
C123 | 0.8380 (6) | 0.0811 (4) | 0.8436 (5) | 0.116 (4)* | |
H12D | 0.8917 | 0.0987 | 0.8767 | 0.175* | |
H12E | 0.8467 | 0.0489 | 0.8936 | 0.175* | |
H12F | 0.8025 | 0.1123 | 0.8362 | 0.175* | |
C124 | 0.7825 (5) | 0.1056 (3) | 0.6448 (6) | 0.091 (3)* | |
H12G | 0.8363 | 0.1229 | 0.6781 | 0.137* | |
H12H | 0.7471 | 0.1371 | 0.6374 | 0.137* | |
H12I | 0.7557 | 0.0890 | 0.5692 | 0.137* | |
C211 | 0.4905 (3) | −0.19111 (16) | 0.1752 (4) | 0.0630 (17) | |
C212 | 0.5824 (4) | −0.2030 (6) | 0.2338 (7) | 0.076 (5)* | 0.545 (16) |
H21A | 0.5853 | −0.2150 | 0.1760 | 0.114* | 0.545 (16) |
H21B | 0.6050 | −0.2352 | 0.2904 | 0.114* | 0.545 (16) |
H21C | 0.6149 | −0.1662 | 0.2720 | 0.114* | 0.545 (16) |
C213 | 0.4562 (7) | −0.1378 (3) | 0.0901 (7) | 0.083 (5)* | 0.545 (16) |
H21D | 0.4607 | −0.1474 | 0.0330 | 0.125* | 0.545 (16) |
H21E | 0.4884 | −0.1014 | 0.1320 | 0.125* | 0.545 (16) |
H21F | 0.3978 | −0.1310 | 0.0518 | 0.125* | 0.545 (16) |
C214 | 0.4381 (7) | −0.2484 (4) | 0.1094 (8) | 0.114 (7)* | 0.545 (16) |
H21G | 0.4447 | −0.2601 | 0.0552 | 0.171* | 0.545 (16) |
H21H | 0.3795 | −0.2399 | 0.0677 | 0.171* | 0.545 (16) |
H21I | 0.4571 | −0.2812 | 0.1638 | 0.171* | 0.545 (16) |
C215 | 0.5140 (10) | −0.1339 (3) | 0.1446 (10) | 0.139 (11)* | 0.455 (16) |
H21J | 0.5201 | −0.1444 | 0.0895 | 0.209* | 0.455 (16) |
H21K | 0.5664 | −0.1176 | 0.2141 | 0.209* | 0.455 (16) |
H21L | 0.4701 | −0.1037 | 0.1110 | 0.209* | 0.455 (16) |
C216 | 0.4050 (5) | −0.2150 (7) | 0.0664 (6) | 0.062 (5)* | 0.455 (16) |
H21M | 0.4092 | −0.2277 | 0.0102 | 0.094* | 0.455 (16) |
H21N | 0.3634 | −0.1830 | 0.0336 | 0.094* | 0.455 (16) |
H21O | 0.3884 | −0.2494 | 0.0867 | 0.094* | 0.455 (16) |
C217 | 0.5577 (8) | −0.2403 (5) | 0.2223 (8) | 0.126 (10)* | 0.455 (16) |
H21P | 0.5602 | −0.2508 | 0.1636 | 0.189* | 0.455 (16) |
H21Q | 0.5434 | −0.2761 | 0.2429 | 0.189* | 0.455 (16) |
H21R | 0.6118 | −0.2250 | 0.2902 | 0.189* | 0.455 (16) |
C221 | 0.7708 (4) | −0.2230 (3) | 0.6699 (6) | 0.079 (3) | |
C222 | 0.7307 (6) | −0.2846 (4) | 0.6111 (7) | 0.131 (4)* | |
H22A | 0.7714 | −0.3100 | 0.6186 | 0.196* | |
H22B | 0.6826 | −0.2782 | 0.5299 | 0.196* | |
H22C | 0.7127 | −0.3046 | 0.6477 | 0.196* | |
C223 | 0.8474 (6) | −0.2333 (5) | 0.7984 (6) | 0.123 (4)* | |
H22D | 0.8881 | −0.2584 | 0.8054 | 0.184* | |
H22E | 0.8299 | −0.2536 | 0.8353 | 0.184* | |
H22F | 0.8727 | −0.1944 | 0.8357 | 0.184* | |
C224 | 0.7987 (7) | −0.1912 (5) | 0.6114 (9) | 0.158 (5)* | |
H22G | 0.8397 | −0.2163 | 0.6192 | 0.236* | |
H22H | 0.8234 | −0.1521 | 0.6479 | 0.236* | |
H22I | 0.7504 | −0.1852 | 0.5301 | 0.236* | |
C41 | 0.1128 (5) | −0.1138 (4) | −0.0998 (7) | 0.079 (2) | |
C42 | 0.0878 (6) | −0.0899 (5) | −0.0344 (8) | 0.119 (4)* | |
H42A | 0.0311 | −0.1029 | −0.0727 | 0.179* | |
H42B | 0.0902 | −0.0458 | −0.0324 | 0.179* | |
H42C | 0.1259 | −0.1056 | 0.0440 | 0.179* | |
C43 | 0.0439 (7) | −0.0968 (5) | −0.2241 (9) | 0.132 (4)* | |
H43A | −0.0065 | −0.1193 | −0.2554 | 0.198* | |
H43B | 0.0608 | −0.1066 | −0.2675 | 0.198* | |
H43C | 0.0329 | −0.0536 | −0.2297 | 0.198* | |
C44 | 0.1182 (11) | −0.1784 (7) | −0.0929 (15) | 0.188 (7)* | |
H44A | 0.0738 | −0.1965 | −0.0990 | 0.282* | |
H44B | 0.1722 | −0.1888 | −0.0189 | 0.282* | |
H44C | 0.1152 | −0.1936 | −0.1546 | 0.282* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ba1 | 0.0555 (6) | 0.0363 (3) | 0.0483 (5) | 0.000 | 0.0354 (5) | 0.000 |
Ba2 | 0.0501 (5) | 0.0379 (3) | 0.0444 (5) | 0.000 | 0.0352 (5) | 0.000 |
Ba3 | 0.04426 (13) | 0.04951 (14) | 0.04892 (15) | −0.0021 (3) | 0.03535 (12) | 0.0023 (3) |
Ba4 | 0.04080 (13) | 0.04974 (14) | 0.03884 (13) | −0.0013 (3) | 0.02584 (11) | −0.0003 (3) |
S | 0.0369 (6) | 0.0376 (6) | 0.0375 (7) | 0.000 | 0.0267 (6) | 0.000 |
S11 | 0.0632 (18) | 0.0485 (11) | 0.0559 (17) | −0.0072 (11) | 0.0429 (16) | 0.0029 (11) |
S21 | 0.0561 (16) | 0.0526 (11) | 0.0452 (15) | −0.0046 (10) | 0.0380 (14) | −0.0012 (10) |
S12 | 0.0454 (14) | 0.0571 (12) | 0.0591 (16) | −0.0071 (10) | 0.0343 (13) | −0.0003 (11) |
S22 | 0.0498 (15) | 0.0550 (11) | 0.0601 (17) | 0.0095 (10) | 0.0405 (14) | 0.0064 (11) |
S4A | 0.0522 (18) | 0.159 (5) | 0.0440 (11) | 0.005 (3) | 0.0206 (13) | 0.025 (3) |
S4B | 0.0522 (18) | 0.159 (5) | 0.0440 (11) | 0.005 (3) | 0.0206 (13) | 0.025 (3) |
O1A | 0.114 (5) | 0.055 (3) | 0.238 (10) | 0.031 (3) | 0.109 (7) | 0.024 (5) |
C1A | 0.077 (6) | 0.070 (5) | 0.171 (11) | 0.018 (4) | 0.087 (7) | 0.035 (6) |
N2A | 0.088 (6) | 0.116 (8) | 0.174 (11) | 0.004 (6) | 0.072 (8) | 0.025 (8) |
C3A | 0.157 (15) | 0.195 (18) | 0.155 (16) | −0.044 (13) | 0.061 (13) | −0.008 (13) |
C4A | 0.116 (12) | 0.091 (9) | 0.21 (2) | 0.059 (9) | 0.087 (13) | 0.044 (12) |
C5A | 0.23 (2) | 0.087 (9) | 0.25 (2) | 0.056 (11) | 0.179 (19) | 0.030 (13) |
C6A | 0.194 (14) | 0.095 (8) | 0.233 (16) | 0.022 (8) | 0.180 (14) | 0.009 (9) |
O1B | 0.140 (5) | 0.060 (3) | 0.075 (4) | 0.023 (3) | 0.077 (4) | 0.022 (3) |
C1B | 0.100 (6) | 0.063 (4) | 0.055 (5) | 0.024 (4) | 0.044 (5) | 0.003 (4) |
N2B | 0.109 (6) | 0.087 (5) | 0.100 (6) | 0.004 (4) | 0.077 (5) | 0.013 (4) |
C3B | 0.107 (8) | 0.134 (9) | 0.126 (9) | −0.039 (7) | 0.077 (8) | −0.013 (8) |
C4B | 0.126 (9) | 0.097 (6) | 0.087 (6) | 0.015 (6) | 0.075 (7) | 0.029 (5) |
C5B | 0.152 (12) | 0.114 (9) | 0.115 (9) | −0.022 (8) | 0.085 (9) | 0.018 (7) |
C6B | 0.145 (10) | 0.103 (7) | 0.100 (8) | −0.001 (7) | 0.088 (8) | 0.013 (6) |
O1C | 0.075 (3) | 0.086 (4) | 0.079 (3) | −0.007 (2) | 0.062 (3) | 0.005 (2) |
C1C | 0.068 (4) | 0.064 (4) | 0.068 (4) | 0.010 (3) | 0.053 (4) | 0.011 (3) |
N2C | 0.088 (4) | 0.073 (4) | 0.077 (4) | −0.001 (3) | 0.067 (4) | 0.007 (3) |
C3C | 0.093 (6) | 0.126 (8) | 0.071 (5) | −0.004 (5) | 0.053 (5) | 0.008 (5) |
C4C | 0.129 (9) | 0.107 (8) | 0.108 (8) | −0.046 (7) | 0.099 (8) | −0.020 (6) |
C5C | 0.145 (13) | 0.146 (12) | 0.164 (14) | −0.034 (10) | 0.134 (13) | −0.001 (11) |
C6C | 0.104 (7) | 0.110 (7) | 0.081 (6) | −0.037 (6) | 0.070 (6) | −0.024 (5) |
C111 | 0.067 (4) | 0.063 (4) | 0.049 (4) | 0.007 (3) | 0.035 (4) | 0.016 (3) |
C121 | 0.054 (4) | 0.061 (4) | 0.058 (4) | −0.025 (3) | 0.037 (4) | −0.019 (3) |
C211 | 0.076 (5) | 0.069 (4) | 0.057 (4) | −0.015 (4) | 0.049 (4) | −0.012 (3) |
C221 | 0.093 (7) | 0.079 (5) | 0.098 (7) | 0.013 (5) | 0.077 (6) | 0.002 (5) |
C41 | 0.081 (5) | 0.061 (4) | 0.077 (5) | 0.000 (4) | 0.045 (5) | −0.003 (4) |
Ba1—O1A | 2.699 (6) | C5C—C6C | 1.567 (12) |
Ba1—O1Ai | 2.699 (6) | C5C—H5CA | 0.9700 |
Ba1—S11i | 3.184 (3) | C5C—H5CB | 0.9700 |
Ba1—S11 | 3.184 (3) | C6C—H6CA | 0.9700 |
Ba1—S | 3.262 (4) | C6C—H6CB | 0.9700 |
Ba1—S12 | 3.290 (3) | C111—C113 | 1.521 (3) |
Ba1—S12i | 3.290 (3) | C111—C112 | 1.521 (3) |
Ba1—Ba3i | 4.4763 (7) | C111—C114 | 1.521 (3) |
Ba1—Ba3 | 4.4764 (7) | C111—C117 | 1.521 (3) |
Ba1—Ba4i | 4.6049 (7) | C111—C115 | 1.521 (3) |
Ba1—Ba4 | 4.6050 (7) | C111—C116 | 1.521 (3) |
Ba2—O1Bi | 2.694 (5) | C112—H11A | 0.9600 |
Ba2—O1B | 2.694 (5) | C112—H11B | 0.9600 |
Ba2—S22 | 3.221 (3) | C112—H11C | 0.9600 |
Ba2—S22i | 3.221 (3) | C113—H11D | 0.9600 |
Ba2—S21 | 3.258 (2) | C113—H11E | 0.9600 |
Ba2—S21i | 3.258 (2) | C113—H11F | 0.9600 |
Ba2—S | 3.279 (4) | C114—H11G | 0.9600 |
Ba2—Ba3 | 4.5374 (7) | C114—H11H | 0.9600 |
Ba2—Ba3i | 4.5375 (7) | C114—H11I | 0.9600 |
Ba2—Ba4 | 4.5762 (7) | C115—H11J | 0.9600 |
Ba2—Ba4i | 4.5762 (7) | C115—H11K | 0.9600 |
Ba3—O1C | 2.727 (4) | C115—H11L | 0.9600 |
Ba3—S | 3.1011 (3) | C116—H11M | 0.9600 |
Ba3—S12 | 3.144 (3) | C116—H11N | 0.9600 |
Ba3—S21 | 3.172 (2) | C116—H11O | 0.9600 |
Ba3—S11 | 3.174 (3) | C117—H11P | 0.9600 |
Ba3—S22 | 3.197 (3) | C117—H11Q | 0.9600 |
Ba3—Ba4i | 4.4671 (4) | C117—H11R | 0.9600 |
Ba3—Ba4 | 4.4765 (4) | C121—C122 | 1.521 (3) |
Ba4—S4B | 3.036 (18) | C121—C123 | 1.521 (3) |
Ba4—S4A | 3.148 (4) | C121—C124 | 1.521 (3) |
Ba4—S12i | 3.183 (3) | C122—H12A | 0.9600 |
Ba4—S21 | 3.214 (2) | C122—H12B | 0.9600 |
Ba4—S | 3.2215 (3) | C122—H12C | 0.9600 |
Ba4—S11 | 3.224 (2) | C123—H12D | 0.9600 |
Ba4—S22i | 3.250 (2) | C123—H12E | 0.9600 |
Ba4—Ba3i | 4.4670 (4) | C123—H12F | 0.9600 |
S—Ba3i | 3.1011 (3) | C124—H12G | 0.9600 |
S—Ba4i | 3.2215 (3) | C124—H12H | 0.9600 |
S11—C111 | 1.835 (5) | C124—H12I | 0.9600 |
S21—C211 | 1.842 (5) | C211—C214 | 1.521 (3) |
S12—C121 | 1.815 (5) | C211—C215 | 1.521 (3) |
S12—Ba4i | 3.183 (3) | C211—C217 | 1.521 (3) |
S22—C221 | 1.853 (6) | C211—C216 | 1.521 (3) |
S22—Ba4i | 3.250 (2) | C211—C212 | 1.521 (3) |
S4A—C41 | 1.832 (9) | C211—C213 | 1.522 (3) |
S4B—C41 | 1.96 (2) | C212—H21A | 0.9600 |
O1A—C1A | 1.182 (10) | C212—H21B | 0.9600 |
C1A—N2A | 1.235 (14) | C212—H21C | 0.9600 |
C1A—C6A | 1.597 (17) | C213—H21D | 0.9600 |
N2A—C3A | 1.388 (18) | C213—H21E | 0.9600 |
N2A—C4A | 1.445 (17) | C213—H21F | 0.9600 |
C3A—H3AA | 0.9600 | C214—H21G | 0.9600 |
C3A—H3AB | 0.9600 | C214—H21H | 0.9600 |
C3A—H3AC | 0.9600 | C214—H21I | 0.9600 |
C4A—C5A | 1.39 (2) | C215—H21J | 0.9600 |
C4A—H4AA | 0.9300 | C215—H21K | 0.9600 |
C5A—C6A | 1.559 (19) | C215—H21L | 0.9600 |
C5A—H5AA | 0.9700 | C216—H21M | 0.9600 |
C5A—H5AB | 0.9700 | C216—H21N | 0.9600 |
C6A—H6AA | 0.9700 | C216—H21O | 0.9600 |
C6A—H6AB | 0.9700 | C217—H21P | 0.9600 |
O1B—C1B | 1.222 (9) | C217—H21Q | 0.9600 |
C1B—N2B | 1.275 (10) | C217—H21R | 0.9600 |
C1B—C6B | 1.534 (13) | C221—C224 | 1.521 (3) |
N2B—C3B | 1.402 (11) | C221—C223 | 1.521 (3) |
N2B—C4B | 1.462 (10) | C221—C222 | 1.521 (3) |
C3B—H3BA | 0.9600 | C222—H22A | 0.9600 |
C3B—H3BB | 0.9600 | C222—H22B | 0.9600 |
C3B—H3BC | 0.9600 | C222—H22C | 0.9600 |
C4B—C5B | 1.495 (15) | C223—H22D | 0.9600 |
C4B—H4BA | 0.9700 | C223—H22E | 0.9600 |
C4B—H4BB | 0.9700 | C223—H22F | 0.9600 |
C5B—C6B | 1.508 (14) | C224—H22G | 0.9600 |
C5B—H5BA | 0.9700 | C224—H22H | 0.9600 |
C5B—H5BB | 0.9700 | C224—H22I | 0.9600 |
C6B—H6BA | 0.9700 | C41—C44 | 1.408 (16) |
C6B—H6BB | 0.9700 | C41—C43 | 1.484 (13) |
O1C—C1C | 1.233 (7) | C41—C42 | 1.498 (12) |
C1C—N2C | 1.333 (8) | C42—H42A | 0.9600 |
C1C—C6C | 1.484 (11) | C42—H42B | 0.9600 |
N2C—C4C | 1.426 (10) | C42—H42C | 0.9600 |
N2C—C3C | 1.452 (10) | C43—H43A | 0.9600 |
C3C—H3CA | 0.9600 | C43—H43B | 0.9600 |
C3C—H3CB | 0.9600 | C43—H43C | 0.9600 |
C3C—H3CC | 0.9600 | C44—H44A | 0.9601 |
C4C—C5C | 1.467 (17) | C44—H44B | 0.9600 |
C4C—H4CA | 0.9700 | C44—H44C | 0.9602 |
C4C—H4CB | 0.9700 | ||
O1A—Ba1—O1Ai | 66.9 (3) | N2A—C4A—H4AA | 129.4 |
O1A—Ba1—S11i | 106.6 (2) | C4A—C5A—C6A | 110.9 (14) |
O1Ai—Ba1—S11i | 107.0 (2) | C4A—C5A—H5AA | 109.5 |
O1A—Ba1—S11 | 107.0 (2) | C6A—C5A—H5AA | 109.5 |
O1Ai—Ba1—S11 | 106.6 (2) | C4A—C5A—H5AB | 109.5 |
S11i—Ba1—S11 | 139.51 (8) | C6A—C5A—H5AB | 109.5 |
O1A—Ba1—S | 146.53 (16) | H5AA—C5A—H5AB | 108.0 |
O1Ai—Ba1—S | 146.53 (16) | C5A—C6A—C1A | 97.3 (12) |
S11i—Ba1—S | 69.76 (4) | C5A—C6A—H6AA | 112.3 |
S11—Ba1—S | 69.75 (4) | C1A—C6A—H6AA | 112.3 |
O1A—Ba1—S12 | 144.47 (17) | C5A—C6A—H6AB | 112.3 |
O1Ai—Ba1—S12 | 77.56 (16) | C1A—C6A—H6AB | 112.3 |
S11i—Ba1—S12 | 82.02 (7) | H6AA—C6A—H6AB | 109.9 |
S11—Ba1—S12 | 83.72 (7) | C1B—O1B—Ba2 | 152.5 (5) |
S—Ba1—S12 | 68.98 (4) | O1B—C1B—N2B | 126.3 (10) |
O1A—Ba1—S12i | 77.55 (16) | O1B—C1B—C6B | 126.0 (9) |
O1Ai—Ba1—S12i | 144.47 (17) | N2B—C1B—C6B | 107.7 (8) |
S11i—Ba1—S12i | 83.72 (7) | C1B—N2B—C3B | 123.2 (9) |
S11—Ba1—S12i | 82.02 (7) | C1B—N2B—C4B | 116.7 (9) |
S—Ba1—S12i | 68.99 (4) | C3B—N2B—C4B | 120.1 (9) |
S12—Ba1—S12i | 137.97 (8) | N2B—C3B—H3BA | 109.5 |
O1A—Ba1—Ba3i | 109.10 (17) | N2B—C3B—H3BB | 109.5 |
O1Ai—Ba1—Ba3i | 151.2 (2) | H3BA—C3B—H3BB | 109.5 |
S11i—Ba1—Ba3i | 45.16 (5) | N2B—C3B—H3BC | 109.5 |
S11—Ba1—Ba3i | 101.89 (4) | H3BA—C3B—H3BC | 109.5 |
S—Ba1—Ba3i | 43.847 (8) | H3BB—C3B—H3BC | 109.5 |
S12—Ba1—Ba3i | 101.24 (4) | N2B—C4B—C5B | 102.7 (8) |
S12i—Ba1—Ba3i | 44.59 (5) | N2B—C4B—H4BA | 111.2 |
O1A—Ba1—Ba3 | 151.2 (2) | C5B—C4B—H4BA | 111.2 |
O1Ai—Ba1—Ba3 | 109.10 (17) | N2B—C4B—H4BB | 111.2 |
S11i—Ba1—Ba3 | 101.89 (4) | C5B—C4B—H4BB | 111.2 |
S11—Ba1—Ba3 | 45.16 (5) | H4BA—C4B—H4BB | 109.1 |
S—Ba1—Ba3 | 43.846 (8) | C4B—C5B—C6B | 106.3 (9) |
S12—Ba1—Ba3 | 44.59 (5) | C4B—C5B—H5BA | 110.5 |
S12i—Ba1—Ba3 | 101.24 (4) | C6B—C5B—H5BA | 110.5 |
Ba3i—Ba1—Ba3 | 87.693 (17) | C4B—C5B—H5BB | 110.5 |
O1A—Ba1—Ba4i | 149.9 (2) | C6B—C5B—H5BB | 110.5 |
O1Ai—Ba1—Ba4i | 109.09 (19) | H5BA—C5B—H5BB | 108.7 |
S11i—Ba1—Ba4i | 44.40 (4) | C5B—C6B—C1B | 103.9 (9) |
S11—Ba1—Ba4i | 102.70 (5) | C5B—C6B—H6BA | 111.0 |
S—Ba1—Ba4i | 44.391 (9) | C1B—C6B—H6BA | 111.0 |
S12—Ba1—Ba4i | 43.72 (4) | C5B—C6B—H6BB | 111.0 |
S12i—Ba1—Ba4i | 102.13 (5) | C1B—C6B—H6BB | 111.0 |
Ba3i—Ba1—Ba4i | 59.047 (10) | H6BA—C6B—H6BB | 109.0 |
Ba3—Ba1—Ba4i | 58.911 (10) | C1C—O1C—Ba3 | 157.3 (4) |
O1A—Ba1—Ba4 | 109.09 (19) | O1C—C1C—N2C | 125.0 (7) |
O1Ai—Ba1—Ba4 | 149.9 (2) | O1C—C1C—C6C | 126.8 (7) |
S11i—Ba1—Ba4 | 102.70 (5) | N2C—C1C—C6C | 108.2 (6) |
S11—Ba1—Ba4 | 44.40 (4) | C1C—N2C—C4C | 114.7 (7) |
S—Ba1—Ba4 | 44.391 (9) | C1C—N2C—C3C | 124.3 (6) |
S12—Ba1—Ba4 | 102.13 (5) | C4C—N2C—C3C | 120.3 (7) |
S12i—Ba1—Ba4 | 43.72 (4) | N2C—C3C—H3CA | 109.5 |
Ba3i—Ba1—Ba4 | 58.910 (10) | N2C—C3C—H3CB | 109.5 |
Ba3—Ba1—Ba4 | 59.047 (10) | H3CA—C3C—H3CB | 109.5 |
Ba4i—Ba1—Ba4 | 88.782 (18) | N2C—C3C—H3CC | 109.5 |
O1Bi—Ba2—O1B | 72.4 (2) | H3CA—C3C—H3CC | 109.5 |
O1Bi—Ba2—S22 | 123.71 (15) | H3CB—C3C—H3CC | 109.5 |
O1B—Ba2—S22 | 89.69 (15) | N2C—C4C—C5C | 104.5 (8) |
O1Bi—Ba2—S22i | 89.69 (15) | N2C—C4C—H4CA | 110.8 |
O1B—Ba2—S22i | 123.71 (15) | C5C—C4C—H4CA | 110.8 |
S22—Ba2—S22i | 140.17 (8) | N2C—C4C—H4CB | 110.8 |
O1Bi—Ba2—S21 | 79.41 (12) | C5C—C4C—H4CB | 110.8 |
O1B—Ba2—S21 | 139.12 (13) | H4CA—C4C—H4CB | 108.9 |
S22—Ba2—S21 | 81.82 (6) | C4C—C5C—C6C | 104.5 (9) |
S22i—Ba2—S21 | 84.30 (6) | C4C—C5C—H5CA | 110.9 |
O1Bi—Ba2—S21i | 139.12 (13) | C6C—C5C—H5CA | 110.9 |
O1B—Ba2—S21i | 79.41 (12) | C4C—C5C—H5CB | 110.9 |
S22—Ba2—S21i | 84.30 (6) | C6C—C5C—H5CB | 110.9 |
S22i—Ba2—S21i | 81.82 (6) | H5CA—C5C—H5CB | 108.9 |
S21—Ba2—S21i | 138.45 (8) | C1C—C6C—C5C | 103.4 (8) |
O1Bi—Ba2—S | 143.79 (12) | C1C—C6C—H6CA | 111.1 |
O1B—Ba2—S | 143.79 (12) | C5C—C6C—H6CA | 111.1 |
S22—Ba2—S | 70.09 (4) | C1C—C6C—H6CB | 111.1 |
S22i—Ba2—S | 70.08 (4) | C5C—C6C—H6CB | 111.1 |
S21—Ba2—S | 69.23 (4) | H6CA—C6C—H6CB | 109.0 |
S21i—Ba2—S | 69.23 (4) | C113—C111—C112 | 109.49 (10) |
O1Bi—Ba2—Ba3 | 119.50 (12) | C113—C111—C114 | 109.47 (10) |
O1B—Ba2—Ba3 | 133.29 (15) | C112—C111—C114 | 109.47 (10) |
S22—Ba2—Ba3 | 44.79 (4) | C113—C111—C117 | 66.6 (7) |
S22i—Ba2—Ba3 | 102.26 (4) | C112—C111—C117 | 139.1 (10) |
S21—Ba2—Ba3 | 44.35 (4) | C114—C111—C117 | 45.6 (7) |
S21i—Ba2—Ba3 | 101.37 (4) | C113—C111—C115 | 140.6 (10) |
S—Ba2—Ba3 | 43.111 (9) | C112—C111—C115 | 46.2 (7) |
O1Bi—Ba2—Ba3i | 133.29 (15) | C114—C111—C115 | 66.6 (7) |
O1B—Ba2—Ba3i | 119.50 (12) | C117—C111—C115 | 109.45 (10) |
S22—Ba2—Ba3i | 102.26 (4) | C113—C111—C116 | 46.2 (7) |
S22i—Ba2—Ba3i | 44.79 (4) | C112—C111—C116 | 66.0 (8) |
S21—Ba2—Ba3i | 101.37 (4) | C114—C111—C116 | 139.0 (10) |
S21i—Ba2—Ba3i | 44.35 (4) | C117—C111—C116 | 109.44 (10) |
S—Ba2—Ba3i | 43.110 (9) | C115—C111—C116 | 109.44 (10) |
Ba3—Ba2—Ba3i | 86.220 (17) | C113—C111—S11 | 108.3 (6) |
O1Bi—Ba2—Ba4 | 99.76 (13) | C112—C111—S11 | 109.8 (6) |
O1B—Ba2—Ba4 | 167.58 (15) | C114—C111—S11 | 110.3 (6) |
S22—Ba2—Ba4 | 102.71 (5) | C117—C111—S11 | 109.8 (9) |
S22i—Ba2—Ba4 | 45.26 (4) | C115—C111—S11 | 109.5 (9) |
S21—Ba2—Ba4 | 44.61 (4) | C116—C111—S11 | 109.1 (9) |
S21i—Ba2—Ba4 | 102.01 (4) | C111—C112—H11A | 109.5 |
S—Ba2—Ba4 | 44.745 (9) | C111—C112—H11B | 109.5 |
Ba3—Ba2—Ba4 | 58.836 (10) | H11A—C112—H11B | 109.5 |
Ba3i—Ba2—Ba4 | 58.699 (10) | C111—C112—H11C | 109.5 |
O1Bi—Ba2—Ba4i | 167.59 (15) | H11A—C112—H11C | 109.5 |
O1B—Ba2—Ba4i | 99.76 (13) | H11B—C112—H11C | 109.5 |
S22—Ba2—Ba4i | 45.26 (4) | C111—C113—H11D | 109.5 |
S22i—Ba2—Ba4i | 102.71 (5) | C111—C113—H11E | 109.5 |
S21—Ba2—Ba4i | 102.01 (4) | H11D—C113—H11E | 109.5 |
S21i—Ba2—Ba4i | 44.61 (4) | C111—C113—H11F | 109.5 |
S—Ba2—Ba4i | 44.744 (9) | H11D—C113—H11F | 109.5 |
Ba3—Ba2—Ba4i | 58.700 (10) | H11E—C113—H11F | 109.5 |
Ba3i—Ba2—Ba4i | 58.834 (10) | C111—C114—H11G | 109.5 |
Ba4—Ba2—Ba4i | 89.489 (18) | C111—C114—H11H | 109.5 |
O1C—Ba3—S | 168.81 (12) | H11G—C114—H11H | 109.5 |
O1C—Ba3—S12 | 106.37 (11) | C111—C114—H11I | 109.5 |
S—Ba3—S12 | 72.90 (6) | H11G—C114—H11I | 109.5 |
O1C—Ba3—S21 | 107.85 (11) | H11H—C114—H11I | 109.5 |
S—Ba3—S21 | 72.58 (6) | C111—C115—H11J | 109.5 |
S12—Ba3—S21 | 145.42 (6) | C111—C115—H11K | 109.5 |
O1C—Ba3—S11 | 96.89 (11) | H11J—C115—H11K | 109.5 |
S—Ba3—S11 | 71.94 (6) | C111—C115—H11L | 109.5 |
S12—Ba3—S11 | 86.29 (7) | H11J—C115—H11L | 109.5 |
S21—Ba3—S11 | 84.92 (3) | H11K—C115—H11L | 109.5 |
O1C—Ba3—S22 | 118.50 (11) | C111—C116—H11M | 109.5 |
S—Ba3—S22 | 72.68 (6) | C111—C116—H11N | 109.5 |
S12—Ba3—S22 | 84.53 (4) | H11M—C116—H11N | 109.5 |
S21—Ba3—S22 | 83.55 (7) | C111—C116—H11O | 109.5 |
S11—Ba3—S22 | 144.59 (6) | H11M—C116—H11O | 109.5 |
O1C—Ba3—Ba4i | 140.60 (10) | H11N—C116—H11O | 109.5 |
S—Ba3—Ba4i | 46.151 (5) | C111—C117—H11P | 109.5 |
S12—Ba3—Ba4i | 45.44 (5) | C111—C117—H11Q | 109.5 |
S21—Ba3—Ba4i | 105.85 (4) | H11P—C117—H11Q | 109.5 |
S11—Ba3—Ba4i | 105.88 (5) | C111—C117—H11R | 109.5 |
S22—Ba3—Ba4i | 46.64 (4) | H11P—C117—H11R | 109.5 |
O1C—Ba3—Ba1 | 124.44 (10) | H11Q—C117—H11R | 109.5 |
S—Ba3—Ba1 | 46.77 (7) | C122—C121—C123 | 109.47 (10) |
S12—Ba3—Ba1 | 47.28 (5) | C122—C121—C124 | 109.46 (10) |
S21—Ba3—Ba1 | 106.74 (4) | C123—C121—C124 | 109.46 (10) |
S11—Ba3—Ba1 | 45.33 (5) | C122—C121—S12 | 108.9 (4) |
S22—Ba3—Ba1 | 107.38 (4) | C123—C121—S12 | 110.0 (4) |
Ba4i—Ba3—Ba1 | 61.980 (9) | C124—C121—S12 | 109.6 (4) |
O1C—Ba3—Ba4 | 126.16 (10) | C121—C122—H12A | 109.5 |
S—Ba3—Ba4 | 46.026 (6) | C121—C122—H12B | 109.5 |
S12—Ba3—Ba4 | 107.53 (5) | H12A—C122—H12B | 109.5 |
S21—Ba3—Ba4 | 45.88 (4) | C121—C122—H12C | 109.5 |
S11—Ba3—Ba4 | 46.06 (4) | H12A—C122—H12C | 109.5 |
S22—Ba3—Ba4 | 105.29 (5) | H12B—C122—H12C | 109.5 |
Ba4i—Ba3—Ba4 | 92.171 (7) | C121—C123—H12D | 109.5 |
Ba1—Ba3—Ba4 | 61.909 (9) | C121—C123—H12E | 109.5 |
O1C—Ba3—Ba2 | 141.59 (10) | H12D—C123—H12E | 109.5 |
S—Ba3—Ba2 | 46.28 (7) | C121—C123—H12F | 109.5 |
S12—Ba3—Ba2 | 105.66 (5) | H12D—C123—H12F | 109.5 |
S21—Ba3—Ba2 | 45.89 (4) | H12E—C123—H12F | 109.5 |
S11—Ba3—Ba2 | 105.80 (4) | C121—C124—H12G | 109.5 |
S22—Ba3—Ba2 | 45.22 (5) | C121—C124—H12H | 109.5 |
Ba4i—Ba3—Ba2 | 61.084 (9) | H12G—C124—H12H | 109.5 |
Ba1—Ba3—Ba2 | 93.044 (7) | C121—C124—H12I | 109.5 |
Ba4—Ba3—Ba2 | 61.014 (9) | H12G—C124—H12I | 109.5 |
S4B—Ba4—S4A | 13.2 (5) | H12H—C124—H12I | 109.5 |
S4B—Ba4—S12i | 125.9 (6) | C214—C211—C215 | 135.1 (3) |
S4A—Ba4—S12i | 113.43 (18) | C214—C211—C217 | 77.1 (5) |
S4B—Ba4—S21 | 92.8 (6) | C215—C211—C217 | 109.48 (9) |
S4A—Ba4—S21 | 105.00 (17) | C214—C211—C216 | 35.0 (5) |
S12i—Ba4—S21 | 141.29 (7) | C215—C211—C216 | 109.47 (9) |
S4B—Ba4—S | 163.2 (5) | C217—C211—C216 | 109.45 (9) |
S4A—Ba4—S | 172.37 (7) | C214—C211—C212 | 109.49 (9) |
S12i—Ba4—S | 70.81 (7) | C215—C211—C212 | 77.1 (5) |
S21—Ba4—S | 70.48 (6) | C217—C211—C212 | 35.1 (5) |
S4B—Ba4—S11 | 108.0 (4) | C216—C211—C212 | 135.2 (3) |
S4A—Ba4—S11 | 103.96 (12) | C214—C211—C213 | 109.49 (9) |
S12i—Ba4—S11 | 83.09 (7) | C215—C211—C213 | 35.0 (5) |
S21—Ba4—S11 | 83.44 (3) | C217—C211—C213 | 135.2 (3) |
S—Ba4—S11 | 69.77 (7) | C216—C211—C213 | 77.1 (5) |
S4B—Ba4—S22i | 110.4 (5) | C212—C211—C213 | 109.44 (9) |
S4A—Ba4—S22i | 115.80 (12) | C214—C211—S21 | 109.51 (8) |
S12i—Ba4—S22i | 83.03 (3) | C215—C211—S21 | 109.49 (8) |
S21—Ba4—S22i | 84.53 (6) | C217—C211—S21 | 109.47 (8) |
S—Ba4—S22i | 70.44 (7) | C216—C211—S21 | 109.46 (8) |
S11—Ba4—S22i | 140.19 (7) | C212—C211—S21 | 109.47 (8) |
S4B—Ba4—Ba3i | 147.8 (4) | C213—C211—S21 | 109.44 (8) |
S4A—Ba4—Ba3i | 143.49 (8) | C211—C212—H21A | 109.5 |
S12i—Ba4—Ba3i | 44.73 (5) | C211—C212—H21B | 109.5 |
S21—Ba4—Ba3i | 103.59 (4) | H21A—C212—H21B | 109.5 |
S—Ba4—Ba3i | 43.965 (6) | C211—C212—H21C | 109.5 |
S11—Ba4—Ba3i | 101.41 (5) | H21A—C212—H21C | 109.5 |
S22i—Ba4—Ba3i | 45.65 (4) | H21B—C212—H21C | 109.5 |
S4B—Ba4—Ba3 | 122.5 (4) | C211—C213—H21D | 109.5 |
S4A—Ba4—Ba3 | 128.63 (8) | C211—C213—H21E | 109.5 |
S12i—Ba4—Ba3 | 103.05 (5) | H21D—C213—H21E | 109.5 |
S21—Ba4—Ba3 | 45.11 (4) | C211—C213—H21F | 109.5 |
S—Ba4—Ba3 | 43.847 (5) | H21D—C213—H21F | 109.5 |
S11—Ba4—Ba3 | 45.15 (5) | H21E—C213—H21F | 109.5 |
S22i—Ba4—Ba3 | 103.04 (5) | C211—C214—H21G | 109.5 |
Ba3i—Ba4—Ba3 | 87.805 (7) | C211—C214—H21H | 109.5 |
S4B—Ba4—Ba2 | 122.5 (6) | H21G—C214—H21H | 109.5 |
S4A—Ba4—Ba2 | 135.15 (19) | C211—C214—H21I | 109.5 |
S12i—Ba4—Ba2 | 104.11 (5) | H21G—C214—H21I | 109.5 |
S21—Ba4—Ba2 | 45.39 (4) | H21H—C214—H21I | 109.5 |
S—Ba4—Ba2 | 45.77 (6) | C211—C215—H21J | 109.5 |
S11—Ba4—Ba2 | 104.07 (5) | C211—C215—H21K | 109.5 |
S22i—Ba4—Ba2 | 44.74 (5) | H21J—C215—H21K | 109.5 |
Ba3i—Ba4—Ba2 | 60.218 (9) | C211—C215—H21L | 109.5 |
Ba3—Ba4—Ba2 | 60.150 (8) | H21J—C215—H21L | 109.5 |
S4B—Ba4—Ba1 | 143.6 (5) | H21K—C215—H21L | 109.5 |
S4A—Ba4—Ba1 | 133.02 (17) | C211—C216—H21M | 109.5 |
S12i—Ba4—Ba1 | 45.60 (5) | C211—C216—H21N | 109.5 |
S21—Ba4—Ba1 | 103.17 (4) | H21M—C216—H21N | 109.5 |
S—Ba4—Ba1 | 45.09 (6) | C211—C216—H21O | 109.5 |
S11—Ba4—Ba1 | 43.71 (5) | H21M—C216—H21O | 109.5 |
S22i—Ba4—Ba1 | 103.59 (5) | H21N—C216—H21O | 109.5 |
Ba3i—Ba4—Ba1 | 59.108 (9) | C211—C217—H21P | 109.5 |
Ba3—Ba4—Ba1 | 59.044 (9) | C211—C217—H21Q | 109.5 |
Ba2—Ba4—Ba1 | 90.864 (7) | H21P—C217—H21Q | 109.5 |
Ba3—S—Ba3i | 178.77 (13) | C211—C217—H21R | 109.5 |
Ba3—S—Ba4i | 89.886 (8) | H21P—C217—H21R | 109.5 |
Ba3i—S—Ba4i | 90.125 (8) | H21Q—C217—H21R | 109.5 |
Ba3—S—Ba4 | 90.127 (8) | C224—C221—C223 | 109.50 (10) |
Ba3i—S—Ba4 | 89.884 (8) | C224—C221—C222 | 109.48 (10) |
Ba4i—S—Ba4 | 178.97 (13) | C223—C221—C222 | 109.44 (10) |
Ba3—S—Ba1 | 89.39 (7) | C224—C221—S22 | 109.0 (6) |
Ba3i—S—Ba1 | 89.38 (7) | C223—C221—S22 | 110.7 (5) |
Ba4i—S—Ba1 | 90.51 (6) | C222—C221—S22 | 108.7 (5) |
Ba4—S—Ba1 | 90.52 (6) | C221—C222—H22A | 109.5 |
Ba3—S—Ba2 | 90.61 (7) | C221—C222—H22B | 109.5 |
Ba3i—S—Ba2 | 90.62 (7) | H22A—C222—H22B | 109.5 |
Ba4i—S—Ba2 | 89.49 (6) | C221—C222—H22C | 109.5 |
Ba4—S—Ba2 | 89.48 (6) | H22A—C222—H22C | 109.5 |
Ba1—S—Ba2 | 180.0 | H22B—C222—H22C | 109.5 |
C111—S11—Ba3 | 125.3 (2) | C221—C223—H22D | 109.5 |
C111—S11—Ba1 | 116.9 (2) | C221—C223—H22E | 109.5 |
Ba3—S11—Ba1 | 89.50 (7) | H22D—C223—H22E | 109.5 |
C111—S11—Ba4 | 132.8 (2) | C221—C223—H22F | 109.5 |
Ba3—S11—Ba4 | 88.79 (6) | H22D—C223—H22F | 109.5 |
Ba1—S11—Ba4 | 91.89 (6) | H22E—C223—H22F | 109.5 |
C211—S21—Ba3 | 108.58 (16) | C221—C224—H22G | 109.5 |
C211—S21—Ba4 | 118.70 (16) | C221—C224—H22H | 109.5 |
Ba3—S21—Ba4 | 89.01 (6) | H22G—C224—H22H | 109.5 |
C211—S21—Ba2 | 145.26 (16) | C221—C224—H22I | 109.5 |
Ba3—S21—Ba2 | 89.76 (6) | H22G—C224—H22I | 109.5 |
Ba4—S21—Ba2 | 89.99 (6) | H22H—C224—H22I | 109.5 |
C121—S12—Ba3 | 113.47 (19) | C44—C41—C43 | 107.8 (10) |
C121—S12—Ba4i | 127.2 (2) | C44—C41—C42 | 110.1 (10) |
Ba3—S12—Ba4i | 89.83 (6) | C43—C41—C42 | 106.8 (8) |
C121—S12—Ba1 | 134.1 (2) | C44—C41—S4A | 115.9 (9) |
Ba3—S12—Ba1 | 88.14 (7) | C43—C41—S4A | 105.8 (7) |
Ba4i—S12—Ba1 | 90.68 (6) | C42—C41—S4A | 109.9 (6) |
C221—S22—Ba3 | 108.4 (2) | C44—C41—S4B | 94.5 (12) |
C221—S22—Ba2 | 119.2 (2) | C43—C41—S4B | 116.0 (9) |
Ba3—S22—Ba2 | 89.99 (7) | C42—C41—S4B | 120.3 (9) |
C221—S22—Ba4i | 145.7 (2) | S4A—C41—S4B | 21.4 (8) |
Ba3—S22—Ba4i | 87.72 (6) | C41—C42—H42A | 109.5 |
Ba2—S22—Ba4i | 90.01 (6) | C41—C42—H42B | 109.5 |
C41—S4A—Ba4 | 107.9 (3) | H42A—C42—H42B | 109.5 |
C41—S4B—Ba4 | 108.3 (8) | C41—C42—H42C | 109.5 |
C1A—O1A—Ba1 | 165.2 (8) | H42A—C42—H42C | 109.5 |
O1A—C1A—N2A | 131.6 (15) | H42B—C42—H42C | 109.5 |
O1A—C1A—C6A | 121.2 (12) | C41—C43—H43A | 109.5 |
N2A—C1A—C6A | 107.1 (10) | C41—C43—H43B | 109.5 |
C1A—N2A—C3A | 122.2 (14) | H43A—C43—H43B | 109.5 |
C1A—N2A—C4A | 119.5 (15) | C41—C43—H43C | 109.5 |
C3A—N2A—C4A | 117.2 (14) | H43A—C43—H43C | 109.5 |
N2A—C3A—H3AA | 109.5 | H43B—C43—H43C | 109.5 |
N2A—C3A—H3AB | 109.5 | C41—C44—H44A | 112.2 |
H3AA—C3A—H3AB | 109.5 | C41—C44—H44B | 107.4 |
N2A—C3A—H3AC | 109.5 | H44A—C44—H44B | 109.5 |
H3AA—C3A—H3AC | 109.5 | C41—C44—H44C | 108.8 |
H3AB—C3A—H3AC | 109.5 | H44A—C44—H44C | 109.5 |
C5A—C4A—N2A | 101.2 (12) | H44B—C44—H44C | 109.5 |
C5A—C4A—H4AA | 129.4 | ||
O1A—Ba1—Ba3—O1C | 43.8 (4) | Ba3i—Ba4—S—Ba1 | −89.38 (7) |
O1Ai—Ba1—Ba3—O1C | −32.9 (3) | Ba3—Ba4—S—Ba1 | 89.39 (7) |
S11i—Ba1—Ba3—O1C | −145.77 (14) | Ba2—Ba4—S—Ba1 | 180.0 |
S11—Ba1—Ba3—O1C | 61.77 (14) | S4B—Ba4—S—Ba2 | −50.9 (16) |
S—Ba1—Ba3—O1C | 171.08 (13) | S4A—Ba4—S—Ba2 | −100.7 (15) |
S12—Ba1—Ba3—O1C | −80.33 (14) | S12i—Ba4—S—Ba2 | 134.35 (5) |
S12i—Ba1—Ba3—O1C | 128.37 (13) | S21—Ba4—S—Ba2 | −45.99 (4) |
Ba3i—Ba1—Ba3—O1C | 171.08 (13) | S11—Ba4—S—Ba2 | −136.08 (5) |
Ba4i—Ba1—Ba3—O1C | −134.14 (13) | S22i—Ba4—S—Ba2 | 45.07 (5) |
Ba4—Ba1—Ba3—O1C | 116.42 (13) | Ba3i—Ba4—S—Ba2 | 90.62 (7) |
O1A—Ba1—Ba3—S | −127.3 (3) | Ba3—Ba4—S—Ba2 | −90.61 (7) |
O1Ai—Ba1—Ba3—S | 156.0 (2) | Ba1—Ba4—S—Ba2 | 180.0 |
S11i—Ba1—Ba3—S | 43.14 (5) | O1A—Ba1—S—Ba3 | 135.9 (4) |
S11—Ba1—Ba3—S | −109.32 (6) | O1Ai—Ba1—S—Ba3 | −44.1 (4) |
S12—Ba1—Ba3—S | 108.59 (6) | S11i—Ba1—S—Ba3 | −134.50 (5) |
S12i—Ba1—Ba3—S | −42.72 (5) | S11—Ba1—S—Ba3 | 45.50 (5) |
Ba3i—Ba1—Ba3—S | 0.0 | S12—Ba1—S—Ba3 | −45.46 (5) |
Ba4i—Ba1—Ba3—S | 54.774 (8) | S12i—Ba1—S—Ba3 | 134.54 (5) |
Ba4—Ba1—Ba3—S | −54.658 (8) | Ba3i—Ba1—S—Ba3 | 180.0 |
O1A—Ba1—Ba3—S12 | 124.1 (3) | Ba4i—Ba1—S—Ba3 | −89.881 (8) |
O1Ai—Ba1—Ba3—S12 | 47.5 (2) | Ba4—Ba1—S—Ba3 | 90.122 (8) |
S11i—Ba1—Ba3—S12 | −65.44 (8) | O1A—Ba1—S—Ba3i | −44.1 (4) |
S11—Ba1—Ba3—S12 | 142.10 (9) | O1Ai—Ba1—S—Ba3i | 135.9 (4) |
S—Ba1—Ba3—S12 | −108.59 (6) | S11i—Ba1—S—Ba3i | 45.50 (5) |
S12i—Ba1—Ba3—S12 | −151.30 (6) | S11—Ba1—S—Ba3i | −134.50 (5) |
Ba3i—Ba1—Ba3—S12 | −108.59 (6) | S12—Ba1—S—Ba3i | 134.54 (5) |
Ba4i—Ba1—Ba3—S12 | −53.81 (6) | S12i—Ba1—S—Ba3i | −45.46 (5) |
Ba4—Ba1—Ba3—S12 | −163.24 (6) | Ba3—Ba1—S—Ba3i | 180.0 |
O1A—Ba1—Ba3—S21 | −82.7 (3) | Ba4i—Ba1—S—Ba3i | 90.120 (8) |
O1Ai—Ba1—Ba3—S21 | −159.3 (2) | Ba4—Ba1—S—Ba3i | −89.878 (8) |
S11i—Ba1—Ba3—S21 | 87.76 (6) | O1A—Ba1—S—Ba4i | −134.2 (4) |
S11—Ba1—Ba3—S21 | −64.71 (7) | O1Ai—Ba1—S—Ba4i | 45.8 (4) |
S—Ba1—Ba3—S21 | 44.61 (4) | S11i—Ba1—S—Ba4i | −44.62 (5) |
S12—Ba1—Ba3—S21 | 153.20 (8) | S11—Ba1—S—Ba4i | 135.38 (5) |
S12i—Ba1—Ba3—S21 | 1.89 (7) | S12—Ba1—S—Ba4i | 44.42 (5) |
Ba3i—Ba1—Ba3—S21 | 44.61 (4) | S12i—Ba1—S—Ba4i | −135.58 (5) |
Ba4i—Ba1—Ba3—S21 | 99.38 (5) | Ba3i—Ba1—S—Ba4i | −90.120 (8) |
Ba4—Ba1—Ba3—S21 | −10.05 (4) | Ba3—Ba1—S—Ba4i | 89.881 (8) |
O1A—Ba1—Ba3—S11 | −18.0 (3) | Ba4—Ba1—S—Ba4i | 180.0 |
O1Ai—Ba1—Ba3—S11 | −94.6 (2) | O1A—Ba1—S—Ba4 | 45.8 (4) |
S11i—Ba1—Ba3—S11 | 152.46 (6) | O1Ai—Ba1—S—Ba4 | −134.2 (4) |
S—Ba1—Ba3—S11 | 109.32 (6) | S11i—Ba1—S—Ba4 | 135.38 (5) |
S12—Ba1—Ba3—S11 | −142.10 (9) | S11—Ba1—S—Ba4 | −44.62 (5) |
S12i—Ba1—Ba3—S11 | 66.60 (8) | S12—Ba1—S—Ba4 | −135.58 (5) |
Ba3i—Ba1—Ba3—S11 | 109.32 (6) | S12i—Ba1—S—Ba4 | 44.42 (5) |
Ba4i—Ba1—Ba3—S11 | 164.09 (6) | Ba3i—Ba1—S—Ba4 | 89.878 (8) |
Ba4—Ba1—Ba3—S11 | 54.66 (6) | Ba3—Ba1—S—Ba4 | −90.122 (8) |
O1A—Ba1—Ba3—S22 | −171.0 (3) | Ba4i—Ba1—S—Ba4 | 180.0 |
O1Ai—Ba1—Ba3—S22 | 112.3 (2) | O1A—Ba1—S—Ba2 | 145 (100) |
S11i—Ba1—Ba3—S22 | −0.60 (7) | O1Ai—Ba1—S—Ba2 | −35 (100) |
S11—Ba1—Ba3—S22 | −153.06 (8) | S11i—Ba1—S—Ba2 | −126 (100) |
S—Ba1—Ba3—S22 | −43.74 (5) | S11—Ba1—S—Ba2 | 54 (100) |
S12—Ba1—Ba3—S22 | 64.84 (7) | S12—Ba1—S—Ba2 | −37 (100) |
S12i—Ba1—Ba3—S22 | −86.46 (7) | S12i—Ba1—S—Ba2 | 143 (100) |
Ba3i—Ba1—Ba3—S22 | −43.74 (5) | Ba3i—Ba1—S—Ba2 | −171 (100) |
Ba4i—Ba1—Ba3—S22 | 11.03 (5) | Ba3—Ba1—S—Ba2 | 9 (100) |
Ba4—Ba1—Ba3—S22 | −98.40 (5) | Ba4i—Ba1—S—Ba2 | −81 (100) |
O1A—Ba1—Ba3—Ba4i | 177.9 (3) | Ba4—Ba1—S—Ba2 | 99 (100) |
O1Ai—Ba1—Ba3—Ba4i | 101.3 (2) | O1Bi—Ba2—S—Ba3 | −76.1 (2) |
S11i—Ba1—Ba3—Ba4i | −11.63 (5) | O1B—Ba2—S—Ba3 | 103.9 (2) |
S11—Ba1—Ba3—Ba4i | −164.09 (6) | S22—Ba2—S—Ba3 | 44.15 (5) |
S—Ba1—Ba3—Ba4i | −54.774 (8) | S22i—Ba2—S—Ba3 | −135.85 (5) |
S12—Ba1—Ba3—Ba4i | 53.81 (6) | S21—Ba2—S—Ba3 | −44.45 (5) |
S12i—Ba1—Ba3—Ba4i | −97.49 (5) | S21i—Ba2—S—Ba3 | 135.55 (5) |
Ba3i—Ba1—Ba3—Ba4i | −54.775 (8) | Ba3i—Ba2—S—Ba3 | 180.0 |
Ba4—Ba1—Ba3—Ba4i | −109.432 (14) | Ba4—Ba2—S—Ba3 | −90.122 (8) |
O1A—Ba1—Ba3—Ba4 | −72.6 (3) | Ba4i—Ba2—S—Ba3 | 89.881 (8) |
O1Ai—Ba1—Ba3—Ba4 | −149.3 (2) | O1Bi—Ba2—S—Ba3i | 103.9 (2) |
S11i—Ba1—Ba3—Ba4 | 97.80 (5) | O1B—Ba2—S—Ba3i | −76.1 (2) |
S11—Ba1—Ba3—Ba4 | −54.66 (6) | S22—Ba2—S—Ba3i | −135.85 (5) |
S—Ba1—Ba3—Ba4 | 54.658 (8) | S22i—Ba2—S—Ba3i | 44.15 (5) |
S12—Ba1—Ba3—Ba4 | 163.24 (6) | S21—Ba2—S—Ba3i | 135.55 (5) |
S12i—Ba1—Ba3—Ba4 | 11.94 (5) | S21i—Ba2—S—Ba3i | −44.45 (5) |
Ba3i—Ba1—Ba3—Ba4 | 54.657 (8) | Ba3—Ba2—S—Ba3i | 180.0 |
Ba4i—Ba1—Ba3—Ba4 | 109.432 (14) | Ba4—Ba2—S—Ba3i | 89.878 (8) |
O1A—Ba1—Ba3—Ba2 | −127.3 (3) | Ba4i—Ba2—S—Ba3i | −90.120 (8) |
O1Ai—Ba1—Ba3—Ba2 | 156.0 (2) | O1Bi—Ba2—S—Ba4i | −166.0 (2) |
S11i—Ba1—Ba3—Ba2 | 43.14 (5) | O1B—Ba2—S—Ba4i | 14.0 (2) |
S11—Ba1—Ba3—Ba2 | −109.32 (6) | S22—Ba2—S—Ba4i | −45.73 (5) |
S—Ba1—Ba3—Ba2 | 0.0 | S22i—Ba2—S—Ba4i | 134.27 (5) |
S12—Ba1—Ba3—Ba2 | 108.59 (6) | S21—Ba2—S—Ba4i | −134.33 (5) |
S12i—Ba1—Ba3—Ba2 | −42.72 (5) | S21i—Ba2—S—Ba4i | 45.67 (5) |
Ba3i—Ba1—Ba3—Ba2 | 0.0 | Ba3—Ba2—S—Ba4i | −89.881 (8) |
Ba4i—Ba1—Ba3—Ba2 | 54.774 (8) | Ba3i—Ba2—S—Ba4i | 90.120 (8) |
Ba4—Ba1—Ba3—Ba2 | −54.658 (8) | Ba4—Ba2—S—Ba4i | 180.0 |
O1Bi—Ba2—Ba3—O1C | −29.3 (2) | O1Bi—Ba2—S—Ba4 | 14.0 (2) |
O1B—Ba2—Ba3—O1C | 63.9 (2) | O1B—Ba2—S—Ba4 | −166.0 (2) |
S22—Ba2—Ba3—O1C | 80.24 (18) | S22—Ba2—S—Ba4 | 134.27 (5) |
S22i—Ba2—Ba3—O1C | −126.05 (17) | S22i—Ba2—S—Ba4 | −45.73 (5) |
S21—Ba2—Ba3—O1C | −57.62 (18) | S21—Ba2—S—Ba4 | 45.67 (5) |
S21i—Ba2—Ba3—O1C | 149.97 (17) | S21i—Ba2—S—Ba4 | −134.33 (5) |
S—Ba2—Ba3—O1C | −168.13 (17) | Ba3—Ba2—S—Ba4 | 90.122 (8) |
Ba3i—Ba2—Ba3—O1C | −168.13 (17) | Ba3i—Ba2—S—Ba4 | −89.878 (8) |
Ba4—Ba2—Ba3—O1C | −112.77 (17) | Ba4i—Ba2—S—Ba4 | 180.0 |
Ba4i—Ba2—Ba3—O1C | 136.40 (17) | O1Bi—Ba2—S—Ba1 | −85 (83) |
O1Bi—Ba2—Ba3—S | 138.78 (16) | O1B—Ba2—S—Ba1 | 95 (100) |
O1B—Ba2—Ba3—S | −128.01 (16) | S22—Ba2—S—Ba1 | 35 (83) |
S22—Ba2—Ba3—S | −111.63 (6) | S22i—Ba2—S—Ba1 | −145 (100) |
S22i—Ba2—Ba3—S | 42.08 (5) | S21—Ba2—S—Ba1 | −53 (83) |
S21—Ba2—Ba3—S | 110.50 (6) | S21i—Ba2—S—Ba1 | 127 (100) |
S21i—Ba2—Ba3—S | −41.91 (4) | Ba3—Ba2—S—Ba1 | −9 (83) |
Ba3i—Ba2—Ba3—S | 0.0 | Ba3i—Ba2—S—Ba1 | 171 (100) |
Ba4—Ba2—Ba3—S | 55.353 (8) | Ba4—Ba2—S—Ba1 | −99 (83) |
Ba4i—Ba2—Ba3—S | −55.471 (8) | Ba4i—Ba2—S—Ba1 | 81 (100) |
O1Bi—Ba2—Ba3—S12 | −174.90 (17) | O1C—Ba3—S11—C111 | −9.7 (3) |
O1B—Ba2—Ba3—S12 | −81.69 (16) | S—Ba3—S11—C111 | 169.5 (3) |
S22—Ba2—Ba3—S12 | −65.31 (7) | S12—Ba3—S11—C111 | 96.3 (3) |
S22i—Ba2—Ba3—S12 | 88.40 (6) | S21—Ba3—S11—C111 | −117.1 (3) |
S21—Ba2—Ba3—S12 | 156.82 (8) | S22—Ba3—S11—C111 | 171.5 (3) |
S21i—Ba2—Ba3—S12 | 4.41 (7) | Ba4i—Ba3—S11—C111 | 137.8 (3) |
S—Ba2—Ba3—S12 | 46.32 (5) | Ba1—Ba3—S11—C111 | 123.2 (3) |
Ba3i—Ba2—Ba3—S12 | 46.32 (5) | Ba4—Ba3—S11—C111 | −144.9 (3) |
Ba4—Ba2—Ba3—S12 | 101.67 (5) | Ba2—Ba3—S11—C111 | −158.4 (3) |
Ba4i—Ba2—Ba3—S12 | −9.15 (5) | O1C—Ba3—S11—Ba1 | −132.95 (11) |
O1Bi—Ba2—Ba3—S21 | 28.28 (18) | S—Ba3—S11—Ba1 | 46.32 (6) |
O1B—Ba2—Ba3—S21 | 121.49 (17) | S12—Ba3—S11—Ba1 | −26.89 (6) |
S22—Ba2—Ba3—S21 | 137.86 (9) | S21—Ba3—S11—Ba1 | 119.63 (7) |
S22i—Ba2—Ba3—S21 | −68.42 (8) | S22—Ba3—S11—Ba1 | 48.27 (13) |
S21i—Ba2—Ba3—S21 | −152.41 (6) | Ba4i—Ba3—S11—Ba1 | 14.57 (6) |
S—Ba2—Ba3—S21 | −110.50 (6) | Ba4—Ba3—S11—Ba1 | 91.90 (6) |
Ba3i—Ba2—Ba3—S21 | −110.50 (6) | Ba2—Ba3—S11—Ba1 | 78.34 (5) |
Ba4—Ba2—Ba3—S21 | −55.15 (6) | O1C—Ba3—S11—Ba4 | 135.15 (11) |
Ba4i—Ba2—Ba3—S21 | −165.97 (6) | S—Ba3—S11—Ba4 | −45.58 (6) |
O1Bi—Ba2—Ba3—S11 | 94.55 (17) | S12—Ba3—S11—Ba4 | −118.79 (6) |
O1B—Ba2—Ba3—S11 | −172.24 (16) | S21—Ba3—S11—Ba4 | 27.74 (4) |
S22—Ba2—Ba3—S11 | −155.86 (8) | S22—Ba3—S11—Ba4 | −43.62 (13) |
S22i—Ba2—Ba3—S11 | −2.15 (7) | Ba4i—Ba3—S11—Ba4 | −77.33 (5) |
S21—Ba2—Ba3—S11 | 66.27 (7) | Ba1—Ba3—S11—Ba4 | −91.90 (6) |
S21i—Ba2—Ba3—S11 | −86.14 (6) | Ba2—Ba3—S11—Ba4 | −13.55 (6) |
S—Ba2—Ba3—S11 | −44.23 (5) | O1A—Ba1—S11—C111 | 41.0 (3) |
Ba3i—Ba2—Ba3—S11 | −44.23 (5) | O1Ai—Ba1—S11—C111 | −29.3 (3) |
Ba4—Ba2—Ba3—S11 | 11.12 (5) | S11i—Ba1—S11—C111 | −174.2 (2) |
Ba4i—Ba2—Ba3—S11 | −99.70 (5) | S—Ba1—S11—C111 | −174.2 (2) |
O1Bi—Ba2—Ba3—S22 | −109.59 (17) | S12—Ba1—S11—C111 | −104.3 (2) |
O1B—Ba2—Ba3—S22 | −16.37 (17) | S12i—Ba1—S11—C111 | 115.3 (2) |
S22i—Ba2—Ba3—S22 | 153.71 (6) | Ba3i—Ba1—S11—C111 | 155.5 (2) |
S21—Ba2—Ba3—S22 | −137.86 (9) | Ba3—Ba1—S11—C111 | −130.0 (3) |
S21i—Ba2—Ba3—S22 | 69.73 (7) | Ba4i—Ba1—S11—C111 | −144.0 (2) |
S—Ba2—Ba3—S22 | 111.63 (6) | Ba4—Ba1—S11—C111 | 141.2 (3) |
Ba3i—Ba2—Ba3—S22 | 111.63 (6) | O1A—Ba1—S11—Ba3 | 171.05 (17) |
Ba4—Ba2—Ba3—S22 | 166.98 (6) | O1Ai—Ba1—S11—Ba3 | 100.71 (18) |
Ba4i—Ba2—Ba3—S22 | 56.16 (6) | S11i—Ba1—S11—Ba3 | −44.17 (3) |
O1Bi—Ba2—Ba3—Ba4i | −165.75 (16) | S—Ba1—S11—Ba3 | −44.17 (3) |
O1B—Ba2—Ba3—Ba4i | −72.54 (16) | S12—Ba1—S11—Ba3 | 25.71 (6) |
S22—Ba2—Ba3—Ba4i | −56.16 (6) | S12i—Ba1—S11—Ba3 | −114.64 (6) |
S22i—Ba2—Ba3—Ba4i | 97.55 (5) | Ba3i—Ba1—S11—Ba3 | −74.49 (5) |
S21—Ba2—Ba3—Ba4i | 165.97 (6) | Ba4i—Ba1—S11—Ba3 | −13.92 (5) |
S21i—Ba2—Ba3—Ba4i | 13.57 (4) | Ba4—Ba1—S11—Ba3 | −88.78 (6) |
S—Ba2—Ba3—Ba4i | 55.471 (8) | O1A—Ba1—S11—Ba4 | −100.17 (17) |
Ba3i—Ba2—Ba3—Ba4i | 55.471 (8) | O1Ai—Ba1—S11—Ba4 | −170.51 (18) |
Ba4—Ba2—Ba3—Ba4i | 110.824 (14) | S11i—Ba1—S11—Ba4 | 44.61 (4) |
O1Bi—Ba2—Ba3—Ba1 | 138.78 (16) | S—Ba1—S11—Ba4 | 44.61 (4) |
O1B—Ba2—Ba3—Ba1 | −128.01 (16) | S12—Ba1—S11—Ba4 | 114.49 (7) |
S22—Ba2—Ba3—Ba1 | −111.63 (6) | S12i—Ba1—S11—Ba4 | −25.86 (6) |
S22i—Ba2—Ba3—Ba1 | 42.08 (5) | Ba3i—Ba1—S11—Ba4 | 14.28 (6) |
S21—Ba2—Ba3—Ba1 | 110.50 (6) | Ba3—Ba1—S11—Ba4 | 88.78 (6) |
S21i—Ba2—Ba3—Ba1 | −41.91 (4) | Ba4i—Ba1—S11—Ba4 | 74.85 (6) |
S—Ba2—Ba3—Ba1 | 0.0 | S4B—Ba4—S11—C111 | 21.9 (7) |
Ba3i—Ba2—Ba3—Ba1 | 0.0 | S4A—Ba4—S11—C111 | 8.9 (4) |
Ba4—Ba2—Ba3—Ba1 | 55.353 (8) | S12i—Ba4—S11—C111 | −103.6 (3) |
Ba4i—Ba2—Ba3—Ba1 | −55.471 (8) | S21—Ba4—S11—C111 | 112.8 (3) |
O1Bi—Ba2—Ba3—Ba4 | 83.43 (16) | S—Ba4—S11—C111 | −175.7 (3) |
O1B—Ba2—Ba3—Ba4 | 176.64 (16) | S22i—Ba4—S11—C111 | −174.0 (3) |
S22—Ba2—Ba3—Ba4 | −166.98 (6) | Ba3i—Ba4—S11—C111 | −144.6 (3) |
S22i—Ba2—Ba3—Ba4 | −13.27 (5) | Ba3—Ba4—S11—C111 | 140.2 (3) |
S21—Ba2—Ba3—Ba4 | 55.15 (6) | Ba2—Ba4—S11—C111 | 153.5 (3) |
S21i—Ba2—Ba3—Ba4 | −97.26 (4) | Ba1—Ba4—S11—C111 | −130.4 (3) |
S—Ba2—Ba3—Ba4 | −55.353 (8) | S4B—Ba4—S11—Ba3 | −118.3 (6) |
Ba3i—Ba2—Ba3—Ba4 | −55.353 (8) | S4A—Ba4—S11—Ba3 | −131.31 (18) |
Ba4i—Ba2—Ba3—Ba4 | −110.824 (14) | S12i—Ba4—S11—Ba3 | 116.20 (7) |
O1C—Ba3—Ba4—S4B | 23.1 (7) | S21—Ba4—S11—Ba3 | −27.42 (4) |
S—Ba3—Ba4—S4B | −167.4 (7) | S—Ba4—S11—Ba3 | 44.15 (6) |
S12—Ba3—Ba4—S4B | 149.8 (7) | S22i—Ba4—S11—Ba3 | 45.85 (12) |
S21—Ba3—Ba4—S4B | −56.5 (7) | Ba3i—Ba4—S11—Ba3 | 75.18 (5) |
S11—Ba3—Ba4—S4B | 83.3 (7) | Ba2—Ba4—S11—Ba3 | 13.33 (6) |
S22—Ba3—Ba4—S4B | −121.2 (7) | Ba1—Ba4—S11—Ba3 | 89.46 (7) |
Ba4i—Ba3—Ba4—S4B | −166.6 (7) | S4B—Ba4—S11—Ba1 | 152.3 (6) |
Ba1—Ba3—Ba4—S4B | 136.9 (7) | S4A—Ba4—S11—Ba1 | 139.23 (18) |
Ba2—Ba3—Ba4—S4B | −111.7 (7) | S12i—Ba4—S11—Ba1 | 26.73 (7) |
O1C—Ba3—Ba4—S4A | 8.8 (3) | S21—Ba4—S11—Ba1 | −116.89 (8) |
S—Ba3—Ba4—S4A | 178.3 (3) | S—Ba4—S11—Ba1 | −45.31 (6) |
S12—Ba3—Ba4—S4A | 135.5 (2) | S22i—Ba4—S11—Ba1 | −43.62 (12) |
S21—Ba3—Ba4—S4A | −70.8 (2) | Ba3i—Ba4—S11—Ba1 | −14.29 (6) |
S11—Ba3—Ba4—S4A | 68.9 (2) | Ba3—Ba4—S11—Ba1 | −89.46 (7) |
S22—Ba3—Ba4—S4A | −135.5 (2) | Ba2—Ba4—S11—Ba1 | −76.14 (5) |
Ba4i—Ba3—Ba4—S4A | 179.0 (2) | O1C—Ba3—S21—C211 | −3.4 (2) |
Ba1—Ba3—Ba4—S4A | 122.6 (2) | S—Ba3—S21—C211 | 164.87 (18) |
Ba2—Ba3—Ba4—S4A | −126.0 (2) | S12—Ba3—S21—C211 | 168.15 (18) |
O1C—Ba3—Ba4—S12i | −126.26 (13) | S11—Ba3—S21—C211 | 92.23 (17) |
S—Ba3—Ba4—S12i | 43.24 (10) | S22—Ba3—S21—C211 | −121.31 (17) |
S12—Ba3—Ba4—S12i | 0.40 (7) | Ba4i—Ba3—S21—C211 | −162.68 (16) |
S21—Ba3—Ba4—S12i | 154.11 (8) | Ba1—Ba3—S21—C211 | 132.44 (16) |
S11—Ba3—Ba4—S12i | −66.12 (8) | Ba4—Ba3—S21—C211 | 120.06 (18) |
S22—Ba3—Ba4—S12i | 89.40 (7) | Ba2—Ba3—S21—C211 | −149.94 (19) |
Ba4i—Ba3—Ba4—S12i | 43.98 (5) | O1C—Ba3—S21—Ba4 | −123.45 (11) |
Ba1—Ba3—Ba4—S12i | −12.44 (5) | S—Ba3—S21—Ba4 | 44.81 (6) |
Ba2—Ba3—Ba4—S12i | 98.94 (5) | S12—Ba3—S21—Ba4 | 48.10 (13) |
O1C—Ba3—Ba4—S21 | 79.64 (13) | S11—Ba3—S21—Ba4 | −27.83 (4) |
S—Ba3—Ba4—S21 | −110.87 (11) | S22—Ba3—S21—Ba4 | 118.64 (6) |
S12—Ba3—Ba4—S21 | −153.71 (8) | Ba4i—Ba3—S21—Ba4 | 77.26 (5) |
S11—Ba3—Ba4—S21 | 139.77 (4) | Ba1—Ba3—S21—Ba4 | 12.38 (5) |
S22—Ba3—Ba4—S21 | −64.70 (7) | Ba2—Ba3—S21—Ba4 | 90.00 (6) |
Ba4i—Ba3—Ba4—S21 | −110.12 (6) | O1C—Ba3—S21—Ba2 | 146.55 (11) |
Ba1—Ba3—Ba4—S21 | −166.54 (6) | S—Ba3—S21—Ba2 | −45.19 (6) |
Ba2—Ba3—Ba4—S21 | −55.17 (6) | S12—Ba3—S21—Ba2 | −41.90 (14) |
O1C—Ba3—Ba4—S | −169.50 (16) | S11—Ba3—S21—Ba2 | −117.83 (7) |
S12—Ba3—Ba4—S | −42.84 (10) | S22—Ba3—S21—Ba2 | 28.64 (6) |
S21—Ba3—Ba4—S | 110.87 (11) | Ba4i—Ba3—S21—Ba2 | −12.74 (6) |
S11—Ba3—Ba4—S | −109.36 (11) | Ba1—Ba3—S21—Ba2 | −77.62 (5) |
S22—Ba3—Ba4—S | 46.16 (10) | Ba4—Ba3—S21—Ba2 | −90.00 (6) |
Ba4i—Ba3—Ba4—S | 0.74 (9) | S4B—Ba4—S21—C211 | 24.5 (5) |
Ba1—Ba3—Ba4—S | −55.67 (9) | S4A—Ba4—S21—C211 | 19.5 (2) |
Ba2—Ba3—Ba4—S | 55.70 (9) | S12i—Ba4—S21—C211 | −153.58 (18) |
O1C—Ba3—Ba4—S11 | −60.14 (14) | S—Ba4—S21—C211 | −154.09 (19) |
S—Ba3—Ba4—S11 | 109.36 (11) | S11—Ba4—S21—C211 | −83.28 (18) |
S12—Ba3—Ba4—S11 | 66.52 (8) | S22i—Ba4—S21—C211 | 134.74 (18) |
S21—Ba3—Ba4—S11 | −139.77 (4) | Ba3i—Ba4—S21—C211 | 176.53 (17) |
S22—Ba3—Ba4—S11 | 155.52 (8) | Ba3—Ba4—S21—C211 | −110.72 (19) |
Ba4i—Ba3—Ba4—S11 | 110.10 (7) | Ba2—Ba4—S21—C211 | 159.5 (2) |
Ba1—Ba3—Ba4—S11 | 53.68 (7) | Ba1—Ba4—S21—C211 | −122.55 (17) |
Ba2—Ba3—Ba4—S11 | 165.06 (7) | S4B—Ba4—S21—Ba3 | 135.2 (4) |
O1C—Ba3—Ba4—S22i | 147.99 (13) | S4A—Ba4—S21—Ba3 | 130.19 (12) |
S—Ba3—Ba4—S22i | −42.51 (10) | S12i—Ba4—S21—Ba3 | −42.86 (11) |
S12—Ba3—Ba4—S22i | −85.35 (7) | S—Ba4—S21—Ba3 | −43.37 (6) |
S21—Ba3—Ba4—S22i | 68.36 (7) | S11—Ba4—S21—Ba3 | 27.44 (4) |
S11—Ba3—Ba4—S22i | −151.87 (8) | S22i—Ba4—S21—Ba3 | −114.54 (6) |
S22—Ba3—Ba4—S22i | 3.65 (7) | Ba3i—Ba4—S21—Ba3 | −72.76 (4) |
Ba4i—Ba3—Ba4—S22i | −41.77 (5) | Ba2—Ba4—S21—Ba3 | −89.76 (6) |
Ba1—Ba3—Ba4—S22i | −98.18 (5) | Ba1—Ba4—S21—Ba3 | −11.83 (5) |
Ba2—Ba3—Ba4—S22i | 13.19 (4) | S4B—Ba4—S21—Ba2 | −135.0 (4) |
O1C—Ba3—Ba4—Ba3i | −168.64 (12) | S4A—Ba4—S21—Ba2 | −140.06 (12) |
S—Ba3—Ba4—Ba3i | 0.85 (9) | S12i—Ba4—S21—Ba2 | 46.90 (11) |
S12—Ba3—Ba4—Ba3i | −41.99 (5) | S—Ba4—S21—Ba2 | 46.38 (6) |
S21—Ba3—Ba4—Ba3i | 111.72 (6) | S11—Ba4—S21—Ba2 | 117.20 (8) |
S11—Ba3—Ba4—Ba3i | −108.50 (7) | S22i—Ba4—S21—Ba2 | −24.78 (6) |
S22—Ba3—Ba4—Ba3i | 47.02 (5) | Ba3i—Ba4—S21—Ba2 | 17.00 (5) |
Ba4i—Ba3—Ba4—Ba3i | 1.60 (2) | Ba3—Ba4—S21—Ba2 | 89.76 (6) |
Ba1—Ba3—Ba4—Ba3i | −54.820 (12) | Ba1—Ba4—S21—Ba2 | 77.93 (4) |
Ba2—Ba3—Ba4—Ba3i | 56.557 (12) | O1Bi—Ba2—S21—C211 | −31.6 (3) |
O1C—Ba3—Ba4—Ba2 | 134.80 (12) | O1B—Ba2—S21—C211 | 15.1 (4) |
S—Ba3—Ba4—Ba2 | −55.70 (9) | S22—Ba2—S21—C211 | 95.0 (3) |
S12—Ba3—Ba4—Ba2 | −98.54 (5) | S22i—Ba2—S21—C211 | −122.4 (3) |
S21—Ba3—Ba4—Ba2 | 55.17 (6) | S21i—Ba2—S21—C211 | 166.8 (3) |
S11—Ba3—Ba4—Ba2 | −165.06 (7) | S—Ba2—S21—C211 | 166.8 (3) |
S22—Ba3—Ba4—Ba2 | −9.54 (5) | Ba3—Ba2—S21—C211 | 123.6 (3) |
Ba4i—Ba3—Ba4—Ba2 | −54.959 (14) | Ba3i—Ba2—S21—C211 | −164.0 (3) |
Ba1—Ba3—Ba4—Ba2 | −111.377 (7) | Ba4—Ba2—S21—C211 | −147.4 (3) |
O1C—Ba3—Ba4—Ba1 | −113.82 (12) | Ba4i—Ba2—S21—C211 | 135.8 (3) |
S—Ba3—Ba4—Ba1 | 55.67 (9) | O1Bi—Ba2—S21—Ba3 | −155.20 (16) |
S12—Ba3—Ba4—Ba1 | 12.83 (5) | O1B—Ba2—S21—Ba3 | −108.5 (2) |
S21—Ba3—Ba4—Ba1 | 166.54 (6) | S22—Ba2—S21—Ba3 | −28.52 (6) |
S11—Ba3—Ba4—Ba1 | −53.68 (7) | S22i—Ba2—S21—Ba3 | 114.04 (6) |
S22—Ba3—Ba4—Ba1 | 101.84 (5) | S21i—Ba2—S21—Ba3 | 43.21 (3) |
Ba4i—Ba3—Ba4—Ba1 | 56.418 (14) | S—Ba2—S21—Ba3 | 43.21 (3) |
Ba2—Ba3—Ba4—Ba1 | 111.377 (7) | Ba3i—Ba2—S21—Ba3 | 72.43 (5) |
O1Bi—Ba2—Ba4—S4B | −7.1 (5) | Ba4—Ba2—S21—Ba3 | 89.01 (6) |
O1B—Ba2—Ba4—S4B | −56.9 (7) | Ba4i—Ba2—S21—Ba3 | 12.22 (5) |
S22—Ba2—Ba4—S4B | 121.0 (5) | O1Bi—Ba2—S21—Ba4 | 115.79 (16) |
S22i—Ba2—Ba4—S4B | −86.8 (5) | O1B—Ba2—S21—Ba4 | 162.5 (2) |
S21—Ba2—Ba4—S4B | 56.8 (5) | S22—Ba2—S21—Ba4 | −117.53 (6) |
S21i—Ba2—Ba4—S4B | −152.2 (5) | S22i—Ba2—S21—Ba4 | 25.03 (6) |
S—Ba2—Ba4—S4B | 164.6 (5) | S21i—Ba2—S21—Ba4 | −45.80 (3) |
Ba3—Ba2—Ba4—S4B | 111.6 (5) | S—Ba2—S21—Ba4 | −45.80 (3) |
Ba3i—Ba2—Ba4—S4B | −142.3 (5) | Ba3—Ba2—S21—Ba4 | −89.01 (6) |
Ba4i—Ba2—Ba4—S4B | 164.6 (5) | Ba3i—Ba2—S21—Ba4 | −16.58 (5) |
O1Bi—Ba2—Ba4—S4A | −2.33 (17) | Ba4i—Ba2—S21—Ba4 | −76.79 (5) |
O1B—Ba2—Ba4—S4A | −52.2 (5) | O1C—Ba3—S12—C121 | −16.1 (2) |
S22—Ba2—Ba4—S4A | 125.70 (11) | S—Ba3—S12—C121 | 175.6 (2) |
S22i—Ba2—Ba4—S4A | −82.07 (12) | S21—Ba3—S12—C121 | 172.3 (2) |
S21—Ba2—Ba4—S4A | 61.57 (11) | S11—Ba3—S12—C121 | −112.2 (2) |
S21i—Ba2—Ba4—S4A | −147.52 (11) | S22—Ba3—S12—C121 | 102.0 (2) |
S—Ba2—Ba4—S4A | 169.34 (10) | Ba4i—Ba3—S12—C121 | 131.1 (2) |
Ba3—Ba2—Ba4—S4A | 116.34 (10) | Ba1—Ba3—S12—C121 | −138.2 (2) |
Ba3i—Ba2—Ba4—S4A | −137.54 (10) | Ba4—Ba3—S12—C121 | −153.6 (2) |
Ba4i—Ba2—Ba4—S4A | 169.35 (10) | Ba2—Ba3—S12—C121 | 142.4 (2) |
O1Bi—Ba2—Ba4—S12i | 144.19 (15) | O1C—Ba3—S12—Ba4i | −147.25 (11) |
O1B—Ba2—Ba4—S12i | 94.3 (5) | S—Ba3—S12—Ba4i | 44.42 (6) |
S22—Ba2—Ba4—S12i | −87.78 (7) | S21—Ba3—S12—Ba4i | 41.14 (14) |
S22i—Ba2—Ba4—S12i | 64.45 (8) | S11—Ba3—S12—Ba4i | 116.65 (7) |
S21—Ba2—Ba4—S12i | −151.91 (8) | S22—Ba3—S12—Ba4i | −29.11 (4) |
S21i—Ba2—Ba4—S12i | −1.00 (7) | Ba1—Ba3—S12—Ba4i | 90.68 (6) |
S—Ba2—Ba4—S12i | −44.14 (5) | Ba4—Ba3—S12—Ba4i | 75.21 (6) |
Ba3—Ba2—Ba4—S12i | −97.14 (5) | Ba2—Ba3—S12—Ba4i | 11.27 (6) |
Ba3i—Ba2—Ba4—S12i | 8.98 (5) | O1C—Ba3—S12—Ba1 | 122.07 (11) |
Ba4i—Ba2—Ba4—S12i | −44.13 (5) | S—Ba3—S12—Ba1 | −46.26 (6) |
O1Bi—Ba2—Ba4—S21 | −63.90 (15) | S21—Ba3—S12—Ba1 | −49.54 (13) |
O1B—Ba2—Ba4—S21 | −113.8 (5) | S11—Ba3—S12—Ba1 | 25.97 (6) |
S22—Ba2—Ba4—S21 | 64.13 (8) | S22—Ba3—S12—Ba1 | −119.80 (7) |
S22i—Ba2—Ba4—S21 | −143.64 (9) | Ba4i—Ba3—S12—Ba1 | −90.68 (6) |
S21i—Ba2—Ba4—S21 | 150.91 (6) | Ba4—Ba3—S12—Ba1 | −15.47 (6) |
S—Ba2—Ba4—S21 | 107.78 (6) | Ba2—Ba3—S12—Ba1 | −79.41 (5) |
Ba3—Ba2—Ba4—S21 | 54.77 (6) | O1A—Ba1—S12—C121 | −15.0 (5) |
Ba3i—Ba2—Ba4—S21 | 160.89 (6) | O1Ai—Ba1—S12—C121 | −13.0 (3) |
Ba4i—Ba2—Ba4—S21 | 107.78 (6) | S11i—Ba1—S12—C121 | −122.4 (3) |
O1Bi—Ba2—Ba4—S | −171.68 (14) | S11—Ba1—S12—C121 | 95.6 (3) |
O1B—Ba2—Ba4—S | 138.4 (5) | S—Ba1—S12—C121 | 166.3 (3) |
S22—Ba2—Ba4—S | −43.64 (4) | S12i—Ba1—S12—C121 | 166.3 (3) |
S22i—Ba2—Ba4—S | 108.58 (6) | Ba3i—Ba1—S12—C121 | −163.5 (3) |
S21—Ba2—Ba4—S | −107.78 (6) | Ba3—Ba1—S12—C121 | 121.6 (3) |
S21i—Ba2—Ba4—S | 43.14 (5) | Ba4i—Ba1—S12—C121 | −148.6 (3) |
Ba3—Ba2—Ba4—S | −53.002 (8) | Ba4—Ba1—S12—C121 | 136.2 (3) |
Ba3i—Ba2—Ba4—S | 53.112 (8) | O1A—Ba1—S12—Ba3 | −136.6 (4) |
Ba4i—Ba2—Ba4—S | 0.0 | O1Ai—Ba1—S12—Ba3 | −134.5 (2) |
O1Bi—Ba2—Ba4—S11 | −129.54 (15) | S11i—Ba1—S12—Ba3 | 116.01 (6) |
O1B—Ba2—Ba4—S11 | −179.4 (5) | S11—Ba1—S12—Ba3 | −25.99 (6) |
S22—Ba2—Ba4—S11 | −1.50 (7) | S—Ba1—S12—Ba3 | 44.70 (3) |
S22i—Ba2—Ba4—S11 | 150.72 (8) | S12i—Ba1—S12—Ba3 | 44.70 (3) |
S21—Ba2—Ba4—S11 | −65.63 (7) | Ba3i—Ba1—S12—Ba3 | 74.93 (5) |
S21i—Ba2—Ba4—S11 | 85.28 (6) | Ba4i—Ba1—S12—Ba3 | 89.80 (6) |
S—Ba2—Ba4—S11 | 42.14 (5) | Ba4—Ba1—S12—Ba3 | 14.65 (5) |
Ba3—Ba2—Ba4—S11 | −10.86 (5) | O1A—Ba1—S12—Ba4i | 133.6 (4) |
Ba3i—Ba2—Ba4—S11 | 95.25 (5) | O1Ai—Ba1—S12—Ba4i | 135.7 (2) |
Ba4i—Ba2—Ba4—S11 | 42.14 (5) | S11i—Ba1—S12—Ba4i | 26.21 (6) |
O1Bi—Ba2—Ba4—S22i | 79.74 (15) | S11—Ba1—S12—Ba4i | −115.80 (7) |
O1B—Ba2—Ba4—S22i | 29.9 (5) | S—Ba1—S12—Ba4i | −45.10 (4) |
S22—Ba2—Ba4—S22i | −152.22 (6) | S12i—Ba1—S12—Ba4i | −45.10 (4) |
S21—Ba2—Ba4—S22i | 143.64 (9) | Ba3i—Ba1—S12—Ba4i | −14.88 (6) |
S21i—Ba2—Ba4—S22i | −65.44 (8) | Ba3—Ba1—S12—Ba4i | −89.80 (6) |
S—Ba2—Ba4—S22i | −108.58 (6) | Ba4—Ba1—S12—Ba4i | −75.16 (6) |
Ba3—Ba2—Ba4—S22i | −161.59 (6) | O1C—Ba3—S22—C221 | −14.9 (3) |
Ba3i—Ba2—Ba4—S22i | −55.47 (6) | S—Ba3—S22—C221 | 165.7 (3) |
Ba4i—Ba2—Ba4—S22i | −108.58 (6) | S12—Ba3—S22—C221 | −120.6 (3) |
O1Bi—Ba2—Ba4—Ba3i | 135.21 (14) | S21—Ba3—S22—C221 | 92.0 (2) |
O1B—Ba2—Ba4—Ba3i | 85.3 (5) | S11—Ba3—S22—C221 | 163.7 (2) |
S22—Ba2—Ba4—Ba3i | −96.75 (5) | Ba4i—Ba3—S22—C221 | −149.0 (3) |
S22i—Ba2—Ba4—Ba3i | 55.47 (6) | Ba1—Ba3—S22—C221 | −162.5 (2) |
S21—Ba2—Ba4—Ba3i | −160.89 (6) | Ba4—Ba3—S22—C221 | 132.7 (2) |
S21i—Ba2—Ba4—Ba3i | −9.97 (5) | Ba2—Ba3—S22—C221 | 121.0 (3) |
S—Ba2—Ba4—Ba3i | −53.112 (8) | O1C—Ba3—S22—Ba2 | −135.83 (12) |
Ba3—Ba2—Ba4—Ba3i | −106.114 (14) | S—Ba3—S22—Ba2 | 44.72 (6) |
Ba4i—Ba2—Ba4—Ba3i | −53.110 (8) | S12—Ba3—S22—Ba2 | 118.49 (8) |
O1Bi—Ba2—Ba4—Ba3 | −118.68 (14) | S21—Ba3—S22—Ba2 | −29.00 (6) |
O1B—Ba2—Ba4—Ba3 | −168.6 (5) | S11—Ba3—S22—Ba2 | 42.78 (13) |
S22—Ba2—Ba4—Ba3 | 9.36 (4) | Ba4i—Ba3—S22—Ba2 | 90.01 (6) |
S22i—Ba2—Ba4—Ba3 | 161.59 (6) | Ba1—Ba3—S22—Ba2 | 76.57 (5) |
S21—Ba2—Ba4—Ba3 | −54.77 (6) | Ba4—Ba3—S22—Ba2 | 11.78 (5) |
S21i—Ba2—Ba4—Ba3 | 96.14 (5) | O1C—Ba3—S22—Ba4i | 134.16 (12) |
S—Ba2—Ba4—Ba3 | 53.002 (7) | S—Ba3—S22—Ba4i | −45.29 (6) |
Ba3i—Ba2—Ba4—Ba3 | 106.114 (14) | S12—Ba3—S22—Ba4i | 28.48 (4) |
Ba4i—Ba2—Ba4—Ba3 | 53.004 (8) | S21—Ba3—S22—Ba4i | −119.01 (6) |
O1Bi—Ba2—Ba4—Ba1 | −171.68 (14) | S11—Ba3—S22—Ba4i | −47.23 (14) |
O1B—Ba2—Ba4—Ba1 | 138.4 (5) | Ba1—Ba3—S22—Ba4i | −13.44 (6) |
S22—Ba2—Ba4—Ba1 | −43.64 (4) | Ba4—Ba3—S22—Ba4i | −78.22 (5) |
S22i—Ba2—Ba4—Ba1 | 108.58 (6) | Ba2—Ba3—S22—Ba4i | −90.01 (6) |
S21—Ba2—Ba4—Ba1 | −107.78 (6) | O1Bi—Ba2—S22—C221 | −11.5 (3) |
S21i—Ba2—Ba4—Ba1 | 43.14 (5) | O1B—Ba2—S22—C221 | 57.0 (3) |
S—Ba2—Ba4—Ba1 | 0.0 | S22i—Ba2—S22—C221 | −153.7 (3) |
Ba3—Ba2—Ba4—Ba1 | −53.002 (8) | S21—Ba2—S22—C221 | −82.9 (3) |
Ba3i—Ba2—Ba4—Ba1 | 53.112 (8) | S21i—Ba2—S22—C221 | 136.4 (3) |
Ba4i—Ba2—Ba4—Ba1 | 0.0 | S—Ba2—S22—C221 | −153.7 (3) |
O1A—Ba1—Ba4—S4B | 46.9 (8) | Ba3—Ba2—S22—C221 | −111.2 (3) |
O1Ai—Ba1—Ba4—S4B | −29.9 (8) | Ba3i—Ba2—S22—C221 | 177.2 (3) |
S11i—Ba1—Ba4—S4B | 159.6 (8) | Ba4—Ba2—S22—C221 | −122.6 (3) |
S11—Ba1—Ba4—S4B | −48.2 (8) | Ba4i—Ba2—S22—C221 | 161.1 (3) |
S—Ba1—Ba4—S4B | −157.9 (8) | O1Bi—Ba2—S22—Ba3 | 99.68 (14) |
S12—Ba1—Ba4—S4B | −115.9 (8) | O1B—Ba2—S22—Ba3 | 168.16 (12) |
S12i—Ba1—Ba4—S4B | 93.1 (8) | S22i—Ba2—S22—Ba3 | −42.51 (3) |
Ba3i—Ba1—Ba4—S4B | 148.1 (8) | S21—Ba2—S22—Ba3 | 28.28 (6) |
Ba3—Ba1—Ba4—S4B | −104.0 (8) | S21i—Ba2—S22—Ba3 | −112.45 (6) |
Ba4i—Ba1—Ba4—S4B | −157.9 (8) | S—Ba2—S22—Ba3 | −42.51 (3) |
O1A—Ba1—Ba4—S4A | 35.0 (2) | Ba3i—Ba2—S22—Ba3 | −71.66 (5) |
O1Ai—Ba1—Ba4—S4A | −41.7 (3) | Ba4—Ba2—S22—Ba3 | −11.39 (5) |
S11i—Ba1—Ba4—S4A | 147.78 (14) | Ba4i—Ba2—S22—Ba3 | −87.72 (6) |
S11—Ba1—Ba4—S4A | −60.09 (15) | O1Bi—Ba2—S22—Ba4i | −172.61 (14) |
S—Ba1—Ba4—S4A | −169.73 (13) | O1B—Ba2—S22—Ba4i | −104.13 (12) |
S12—Ba1—Ba4—S4A | −127.79 (14) | S22i—Ba2—S22—Ba4i | 45.21 (3) |
S12i—Ba1—Ba4—S4A | 81.22 (14) | S21—Ba2—S22—Ba4i | 116.00 (6) |
Ba3i—Ba1—Ba4—S4A | 136.28 (13) | S21i—Ba2—S22—Ba4i | −24.74 (6) |
Ba3—Ba1—Ba4—S4A | −115.85 (13) | S—Ba2—S22—Ba4i | 45.21 (3) |
Ba4i—Ba1—Ba4—S4A | −169.73 (13) | Ba3—Ba2—S22—Ba4i | 87.72 (6) |
O1A—Ba1—Ba4—S12i | −46.2 (2) | Ba3i—Ba2—S22—Ba4i | 16.06 (5) |
O1Ai—Ba1—Ba4—S12i | −123.0 (3) | Ba4—Ba2—S22—Ba4i | 76.32 (5) |
S11i—Ba1—Ba4—S12i | 66.55 (8) | S4B—Ba4—S4A—C41 | 84.6 (19) |
S11—Ba1—Ba4—S12i | −141.32 (10) | S12i—Ba4—S4A—C41 | −77.5 (5) |
S—Ba1—Ba4—S12i | 109.05 (7) | S21—Ba4—S4A—C41 | 107.2 (4) |
S12—Ba1—Ba4—S12i | 150.98 (6) | S—Ba4—S4A—C41 | 160.0 (12) |
Ba3i—Ba1—Ba4—S12i | 55.06 (7) | S11—Ba4—S4A—C41 | −165.9 (4) |
Ba3—Ba1—Ba4—S12i | 162.93 (7) | S22i—Ba4—S4A—C41 | 16.1 (5) |
Ba4i—Ba1—Ba4—S12i | 109.05 (7) | Ba3i—Ba4—S4A—C41 | −33.2 (7) |
O1A—Ba1—Ba4—S21 | 160.6 (2) | Ba3—Ba4—S4A—C41 | 151.1 (4) |
O1Ai—Ba1—Ba4—S21 | 83.9 (3) | Ba2—Ba4—S4A—C41 | 66.8 (5) |
S11i—Ba1—Ba4—S21 | −86.63 (6) | Ba1—Ba4—S4A—C41 | −127.8 (4) |
S11—Ba1—Ba4—S21 | 65.51 (8) | S4A—Ba4—S4B—C41 | −68.5 (18) |
S—Ba1—Ba4—S21 | −44.13 (4) | S12i—Ba4—S4B—C41 | −48.1 (14) |
S12—Ba1—Ba4—S21 | −2.20 (6) | S21—Ba4—S4B—C41 | 133.4 (12) |
S12i—Ba1—Ba4—S21 | −153.18 (8) | S—Ba4—S4B—C41 | 138.0 (9) |
Ba3i—Ba1—Ba4—S21 | −98.12 (4) | S11—Ba4—S4B—C41 | −142.6 (10) |
Ba3—Ba1—Ba4—S21 | 9.75 (4) | S22i—Ba4—S4B—C41 | 48.2 (13) |
Ba4i—Ba1—Ba4—S21 | −44.13 (4) | Ba3i—Ba4—S4B—C41 | 12 (2) |
O1A—Ba1—Ba4—S | −155.3 (2) | Ba3—Ba4—S4B—C41 | 169.7 (8) |
O1Ai—Ba1—Ba4—S | 128.0 (3) | Ba2—Ba4—S4B—C41 | 96.7 (12) |
S11i—Ba1—Ba4—S | −42.50 (5) | Ba1—Ba4—S4B—C41 | −109.8 (9) |
S11—Ba1—Ba4—S | 109.63 (7) | O1Ai—Ba1—O1A—C1A | −14 (3) |
S12—Ba1—Ba4—S | 41.93 (5) | S11i—Ba1—O1A—C1A | 87 (4) |
S12i—Ba1—Ba4—S | −109.05 (7) | S11—Ba1—O1A—C1A | −116 (4) |
Ba3i—Ba1—Ba4—S | −53.992 (8) | S—Ba1—O1A—C1A | 166 (3) |
Ba3—Ba1—Ba4—S | 53.877 (7) | S12—Ba1—O1A—C1A | −12 (4) |
Ba4i—Ba1—Ba4—S | 0.0 | S12i—Ba1—O1A—C1A | 167 (4) |
O1A—Ba1—Ba4—S11 | 95.1 (2) | Ba3i—Ba1—O1A—C1A | 135 (3) |
O1Ai—Ba1—Ba4—S11 | 18.4 (3) | Ba3—Ba1—O1A—C1A | −102 (4) |
S11i—Ba1—Ba4—S11 | −152.13 (6) | Ba4i—Ba1—O1A—C1A | 74 (4) |
S—Ba1—Ba4—S11 | −109.63 (7) | Ba4—Ba1—O1A—C1A | −162 (3) |
S12—Ba1—Ba4—S11 | −67.70 (8) | Ba1—O1A—C1A—N2A | 133 (3) |
S12i—Ba1—Ba4—S11 | 141.32 (10) | Ba1—O1A—C1A—C6A | −43 (4) |
Ba3i—Ba1—Ba4—S11 | −163.62 (7) | O1A—C1A—N2A—C3A | 11 (2) |
Ba3—Ba1—Ba4—S11 | −55.76 (7) | C6A—C1A—N2A—C3A | −173.2 (13) |
Ba4i—Ba1—Ba4—S11 | −109.63 (7) | O1A—C1A—N2A—C4A | 177.9 (12) |
O1A—Ba1—Ba4—S22i | −111.9 (2) | C6A—C1A—N2A—C4A | −5.8 (15) |
O1Ai—Ba1—Ba4—S22i | 171.3 (3) | C1A—N2A—C4A—C5A | 17 (2) |
S11i—Ba1—Ba4—S22i | 0.84 (7) | C3A—N2A—C4A—C5A | −174.9 (17) |
S11—Ba1—Ba4—S22i | 152.98 (8) | N2A—C4A—C5A—C6A | −20 (2) |
S—Ba1—Ba4—S22i | 43.34 (5) | C4A—C5A—C6A—C1A | 17 (2) |
S12—Ba1—Ba4—S22i | 85.27 (7) | O1A—C1A—C6A—C5A | 169.9 (12) |
S12i—Ba1—Ba4—S22i | −65.71 (8) | N2A—C1A—C6A—C5A | −6.8 (13) |
Ba3i—Ba1—Ba4—S22i | −10.65 (5) | O1Bi—Ba2—O1B—C1B | −142.1 (16) |
Ba3—Ba1—Ba4—S22i | 97.22 (5) | S22—Ba2—O1B—C1B | 92.2 (14) |
Ba4i—Ba1—Ba4—S22i | 43.34 (5) | S22i—Ba2—O1B—C1B | −64.7 (15) |
O1A—Ba1—Ba4—Ba3i | −101.3 (2) | S21—Ba2—O1B—C1B | 169.3 (13) |
O1Ai—Ba1—Ba4—Ba3i | −178.0 (3) | S21i—Ba2—O1B—C1B | 7.9 (14) |
S11i—Ba1—Ba4—Ba3i | 11.49 (5) | S—Ba2—O1B—C1B | 37.9 (16) |
S11—Ba1—Ba4—Ba3i | 163.62 (7) | Ba3—Ba2—O1B—C1B | 103.7 (14) |
S—Ba1—Ba4—Ba3i | 53.992 (8) | Ba3i—Ba2—O1B—C1B | −11.7 (15) |
S12—Ba1—Ba4—Ba3i | 95.92 (5) | Ba4—Ba2—O1B—C1B | −89.8 (15) |
S12i—Ba1—Ba4—Ba3i | −55.06 (7) | Ba4i—Ba2—O1B—C1B | 47.9 (14) |
Ba3—Ba1—Ba4—Ba3i | 107.868 (13) | Ba2—O1B—C1B—N2B | −82.6 (17) |
Ba4i—Ba1—Ba4—Ba3i | 53.990 (8) | Ba2—O1B—C1B—C6B | 99.4 (14) |
O1A—Ba1—Ba4—Ba3 | 150.9 (2) | O1B—C1B—N2B—C3B | 1.5 (15) |
O1Ai—Ba1—Ba4—Ba3 | 74.1 (3) | C6B—C1B—N2B—C3B | 179.8 (10) |
S11i—Ba1—Ba4—Ba3 | −96.38 (5) | O1B—C1B—N2B—C4B | −178.4 (8) |
S11—Ba1—Ba4—Ba3 | 55.76 (7) | C6B—C1B—N2B—C4B | −0.1 (11) |
S—Ba1—Ba4—Ba3 | −53.877 (7) | C1B—N2B—C4B—C5B | −9.9 (12) |
S12—Ba1—Ba4—Ba3 | −11.95 (5) | C3B—N2B—C4B—C5B | 170.2 (10) |
S12i—Ba1—Ba4—Ba3 | −162.93 (7) | N2B—C4B—C5B—C6B | 15.3 (12) |
Ba3i—Ba1—Ba4—Ba3 | −107.868 (13) | C4B—C5B—C6B—C1B | −15.6 (12) |
Ba4i—Ba1—Ba4—Ba3 | −53.878 (7) | O1B—C1B—C6B—C5B | −171.7 (9) |
O1A—Ba1—Ba4—Ba2 | −155.3 (2) | N2B—C1B—C6B—C5B | 10.0 (11) |
O1Ai—Ba1—Ba4—Ba2 | 128.0 (3) | S—Ba3—O1C—C1C | 53.9 (15) |
S11i—Ba1—Ba4—Ba2 | −42.50 (5) | S12—Ba3—O1C—C1C | −30.6 (12) |
S11—Ba1—Ba4—Ba2 | 109.63 (7) | S21—Ba3—O1C—C1C | 144.4 (12) |
S—Ba1—Ba4—Ba2 | 0.0 | S11—Ba3—O1C—C1C | 57.5 (12) |
S12—Ba1—Ba4—Ba2 | 41.93 (5) | S22—Ba3—O1C—C1C | −123.3 (12) |
S12i—Ba1—Ba4—Ba2 | −109.05 (7) | Ba4i—Ba3—O1C—C1C | −68.0 (12) |
Ba3i—Ba1—Ba4—Ba2 | −53.992 (8) | Ba1—Ba3—O1C—C1C | 18.4 (12) |
Ba3—Ba1—Ba4—Ba2 | 53.877 (7) | Ba4—Ba3—O1C—C1C | 96.5 (12) |
Ba4i—Ba1—Ba4—Ba2 | 0.0 | Ba2—Ba3—O1C—C1C | −176.1 (11) |
O1C—Ba3—S—Ba3i | −41.2 (6) | Ba3—O1C—C1C—N2C | −123.8 (11) |
S12—Ba3—S—Ba3i | 46.79 (6) | Ba3—O1C—C1C—C6C | 55.6 (16) |
S21—Ba3—S—Ba3i | −135.16 (5) | O1C—C1C—N2C—C4C | 174.3 (8) |
S11—Ba3—S—Ba3i | −44.89 (5) | C6C—C1C—N2C—C4C | −5.2 (11) |
S22—Ba3—S—Ba3i | 136.30 (6) | O1C—C1C—N2C—C3C | 3.6 (12) |
Ba4i—Ba3—S—Ba3i | 90.54 (7) | C6C—C1C—N2C—C3C | −175.8 (8) |
Ba1—Ba3—S—Ba3i | 0.021 (7) | C1C—N2C—C4C—C5C | 17.5 (13) |
Ba4—Ba3—S—Ba3i | −90.49 (7) | C3C—N2C—C4C—C5C | −171.4 (10) |
Ba2—Ba3—S—Ba3i | −179.979 (8) | N2C—C4C—C5C—C6C | −21.1 (14) |
O1C—Ba3—S—Ba4i | −131.7 (6) | O1C—C1C—C6C—C5C | 171.9 (9) |
S12—Ba3—S—Ba4i | −43.75 (7) | N2C—C1C—C6C—C5C | −8.6 (11) |
S21—Ba3—S—Ba4i | 134.30 (9) | C4C—C5C—C6C—C1C | 18.5 (14) |
S11—Ba3—S—Ba4i | −135.42 (9) | Ba3—S11—C111—C113 | −26.7 (6) |
S22—Ba3—S—Ba4i | 45.76 (7) | Ba1—S11—C111—C113 | 83.6 (5) |
Ba1—Ba3—S—Ba4i | −90.52 (6) | Ba4—S11—C111—C113 | −155.1 (6) |
Ba4—Ba3—S—Ba4i | 178.97 (13) | Ba3—S11—C111—C112 | 92.7 (6) |
Ba2—Ba3—S—Ba4i | 89.48 (6) | Ba1—S11—C111—C112 | −157.0 (5) |
O1C—Ba3—S—Ba4 | 49.3 (6) | Ba4—S11—C111—C112 | −35.6 (6) |
S12—Ba3—S—Ba4 | 137.28 (9) | Ba3—S11—C111—C114 | −146.5 (5) |
S21—Ba3—S—Ba4 | −44.67 (7) | Ba1—S11—C111—C114 | −36.2 (6) |
S11—Ba3—S—Ba4 | 45.61 (7) | Ba4—S11—C111—C114 | 85.1 (6) |
S22—Ba3—S—Ba4 | −133.21 (9) | Ba3—S11—C111—C117 | −97.8 (8) |
Ba4i—Ba3—S—Ba4 | −178.97 (13) | Ba1—S11—C111—C117 | 12.5 (8) |
Ba1—Ba3—S—Ba4 | 90.52 (6) | Ba4—S11—C111—C117 | 133.9 (8) |
Ba2—Ba3—S—Ba4 | −89.48 (6) | Ba3—S11—C111—C115 | 142.0 (8) |
O1C—Ba3—S—Ba1 | −41.2 (6) | Ba1—S11—C111—C115 | −107.7 (8) |
S12—Ba3—S—Ba1 | 46.77 (5) | Ba4—S11—C111—C115 | 13.7 (9) |
S21—Ba3—S—Ba1 | −135.18 (5) | Ba3—S11—C111—C116 | 22.2 (9) |
S11—Ba3—S—Ba1 | −44.91 (5) | Ba1—S11—C111—C116 | 132.5 (8) |
S22—Ba3—S—Ba1 | 136.28 (5) | Ba4—S11—C111—C116 | −106.1 (9) |
Ba4i—Ba3—S—Ba1 | 90.52 (6) | Ba3—S12—C121—C122 | −40.4 (3) |
Ba4—Ba3—S—Ba1 | −90.52 (6) | Ba4i—S12—C121—C122 | 68.6 (3) |
Ba2—Ba3—S—Ba1 | 180.0 | Ba1—S12—C121—C122 | −152.3 (3) |
O1C—Ba3—S—Ba2 | 138.8 (6) | Ba3—S12—C121—C123 | −160.4 (3) |
S12—Ba3—S—Ba2 | −133.23 (5) | Ba4i—S12—C121—C123 | −51.4 (3) |
S21—Ba3—S—Ba2 | 44.82 (5) | Ba1—S12—C121—C123 | 87.8 (4) |
S11—Ba3—S—Ba2 | 135.09 (5) | Ba3—S12—C121—C124 | 79.3 (3) |
S22—Ba3—S—Ba2 | −43.72 (5) | Ba4i—S12—C121—C124 | −171.7 (3) |
Ba4i—Ba3—S—Ba2 | −89.48 (6) | Ba1—S12—C121—C124 | −32.6 (4) |
Ba1—Ba3—S—Ba2 | 180.0 | Ba3—S21—C211—C214 | 167.1 (5) |
Ba4—Ba3—S—Ba2 | 89.48 (6) | Ba4—S21—C211—C214 | −93.5 (5) |
S4B—Ba4—S—Ba3 | 39.7 (16) | Ba2—S21—C211—C214 | 48.6 (5) |
S4A—Ba4—S—Ba3 | −10.1 (15) | Ba3—S21—C211—C215 | −35.7 (6) |
S12i—Ba4—S—Ba3 | −135.04 (10) | Ba4—S21—C211—C215 | 63.7 (6) |
S21—Ba4—S—Ba3 | 44.62 (7) | Ba2—S21—C211—C215 | −154.2 (6) |
S11—Ba4—S—Ba3 | −45.47 (7) | Ba3—S21—C211—C217 | 84.3 (6) |
S22i—Ba4—S—Ba3 | 135.68 (10) | Ba4—S21—C211—C217 | −176.3 (6) |
Ba3i—Ba4—S—Ba3 | −178.77 (13) | Ba2—S21—C211—C217 | −34.1 (6) |
Ba2—Ba4—S—Ba3 | 90.61 (7) | Ba3—S21—C211—C216 | −155.7 (6) |
Ba1—Ba4—S—Ba3 | −89.39 (7) | Ba4—S21—C211—C216 | −56.3 (6) |
S4B—Ba4—S—Ba3i | −141.5 (16) | Ba2—S21—C211—C216 | 85.8 (6) |
S4A—Ba4—S—Ba3i | 168.7 (15) | Ba3—S21—C211—C212 | 47.0 (5) |
S12i—Ba4—S—Ba3i | 43.73 (7) | Ba4—S21—C211—C212 | 146.4 (5) |
S21—Ba4—S—Ba3i | −136.61 (9) | Ba2—S21—C211—C212 | −71.5 (5) |
S11—Ba4—S—Ba3i | 133.30 (9) | Ba3—S21—C211—C213 | −72.9 (5) |
S22i—Ba4—S—Ba3i | −45.54 (7) | Ba4—S21—C211—C213 | 26.5 (5) |
Ba3—Ba4—S—Ba3i | 178.77 (13) | Ba2—S21—C211—C213 | 168.6 (5) |
Ba2—Ba4—S—Ba3i | −90.62 (7) | Ba3—S22—C221—C224 | 14.3 (4) |
Ba1—Ba4—S—Ba3i | 89.38 (7) | Ba2—S22—C221—C224 | 115.0 (4) |
S4B—Ba4—S—Ba4i | −51.0 (16) | Ba4i—S22—C221—C224 | −100.0 (5) |
S4A—Ba4—S—Ba4i | −100.8 (15) | Ba3—S22—C221—C223 | 134.8 (4) |
S12i—Ba4—S—Ba4i | 134.22 (5) | Ba2—S22—C221—C223 | −124.5 (4) |
S21—Ba4—S—Ba4i | −46.12 (6) | Ba4i—S22—C221—C223 | 20.5 (6) |
S11—Ba4—S—Ba4i | −136.21 (6) | Ba3—S22—C221—C222 | −104.9 (4) |
S22i—Ba4—S—Ba4i | 44.94 (5) | Ba2—S22—C221—C222 | −4.3 (4) |
Ba3i—Ba4—S—Ba4i | 90.49 (6) | Ba4i—S22—C221—C222 | 140.7 (4) |
Ba3—Ba4—S—Ba4i | −90.74 (9) | Ba4—S4A—C41—C44 | −76.0 (10) |
Ba2—Ba4—S—Ba4i | −0.13 (2) | Ba4—S4A—C41—C43 | 164.6 (6) |
Ba1—Ba4—S—Ba4i | 179.87 (2) | Ba4—S4A—C41—C42 | 49.6 (7) |
S4B—Ba4—S—Ba1 | 129.1 (16) | Ba4—S4A—C41—S4B | −73.6 (16) |
S4A—Ba4—S—Ba1 | 79.3 (15) | Ba4—S4B—C41—C44 | −96.9 (12) |
S12i—Ba4—S—Ba1 | −45.65 (5) | Ba4—S4B—C41—C43 | 150.8 (8) |
S21—Ba4—S—Ba1 | 134.01 (4) | Ba4—S4B—C41—C42 | 19.6 (16) |
S11—Ba4—S—Ba1 | 43.92 (5) | Ba4—S4B—C41—S4A | 85.3 (19) |
S22i—Ba4—S—Ba1 | −134.93 (5) |
Symmetry code: (i) −x+1, y, −z+1. |