Accuracy

Nonactin-cesium (NONACU) r   6292 Nonactin-cesium (NONACU) (Geo)

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    #  Species Formula
  6282 Cs(+)(H2O)4H8O4Cs
  6283 Cs(+)(H2O)4 (Geo)H8O4Cs
  6284 Cs(I)O6(+) (CSTHXD) (Geo)C12H24O6Cs
  6285 Cs(I)O6(+) (CSTHXD)C12H24O6Cs
  6286 Cs(I)(Cp)O6 (QEXTOC) (Geo)C17H29O6Cs
  6287 Cs(I)(Cp)O6 (QEXTOC)C17H29O6Cs
  6288 Cs(I)O6N2(+) (CSCRYP10) (Geo)C18H36N2O6Cs
  6289 Cs(I)O6N2(+) (CSCRYP10)C18H36N2O6Cs
  6290 Cs(0)O8 (DUBCIM) (Geo)C24H48O12Cs
  6291 Cs(0)O8 (DUBCIM)C24H48O12Cs
  6292 Nonactin-cesium (NONACU) (Geo) C40H64O12Cs
  6293 Cesium fluorideFCs
  6294 Cesium fluoride (Geo)FCs
  6295 Cs(+)(H2O)3.FH6O3FCs
  6296 Cs(+)(H2O)3.F (Geo)H6O3FCs
  6297 Cesium tetrafluoroaluminateF4AlCs
  6298 Cesium metaphosphate (Geo)O3PCs
  6299 Cesium sulfate, anionO4SCs
  6300 Cs(I)O5S2(+) (RILGUO) (Geo)C16H24N2O5S2Cs
  6301 Cesium chlorideClCs
  6302 Cesium chloride (Geo)ClCs


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=1 PM7
Nonactin-cesium (NONACU)
 <Cs-O> <Cs-O'><> <Cs-O"> GR=CCDC
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     3.06812101 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.16300820 +1  102.2585547 +1    0.0000000 +0     1     2     0
  O     3.18120182 +1   65.2513966 +1 -156.7540691 +1     1     2     3
  O     0.33797027 +1    1.8129225 +1   -3.0674640 +1     0     0     0
  O    -1.69697405 +1   -1.1948218 +1    2.2448165 +1     0     0     0
  O     2.07804409 +1   -3.1993984 +1   -0.8946949 +1     0     0     0
  O    -3.52871843 +1   -1.2098826 +1   -0.8767631 +1     0     0     0
  O    -0.64922920 +1   -1.6219010 +1   -2.5931851 +1     0     0     0
  O    -0.55482520 +1    1.7349008 +1    3.3748204 +1     0     0     0
  O     1.23254001 +1    0.3909661 +1    3.2732022 +1     0     0     0
  O     2.04431847 +1    2.7789659 +1   -1.9896862 +1     0     0     0
  O    -2.98251297 +1    0.7925039 +1   -1.7112563 +1     0     0     0
  C     0.18843089 +1    2.7740516 +1    2.6970879 +1     0     0     0
  C     0.08615717 +1    0.5730884 +1    3.6121239 +1     0     0     0
  C    -0.82074515 +1   -0.4284058 +1    4.2840990 +1     0     0     0
  C    -0.90922184 +1   -1.6473253 +1    3.3492109 +1     0     0     0
  C    -2.39227609 +1   -2.2980861 +1    1.6560592 +1     0     0     0
  C    -3.80544945 +1   -1.7954220 +1    1.3651387 +1     0     0     0
  C    -3.78035493 +1   -0.6004288 +1    0.4096654 +1     0     0     0
  C    -3.13565127 +1   -0.3952587 +1   -1.8769886 +1     0     0     0
  C    -2.89040527 +1   -1.1649080 +1   -3.1503755 +1     0     0     0
  C    -1.42798241 +1   -0.9106180 +1   -3.5578647 +1     0     0     0
  C     0.56704943 +1   -2.0897583 +1   -3.1819181 +1     0     0     0
  C     0.71215914 +1   -3.5524848 +1   -2.7588410 +1     0     0     0
  C     0.75169141 +1   -3.6736179 +1   -1.2355763 +1     0     0     0
  C    -0.20698840 +1   -0.7910767 +1    5.6316171 +1     0     0     0
  C    -1.65099891 +1   -2.8670557 +1    3.9083683 +1     0     0     0
  C    -2.35155991 +1   -3.4553229 +1    2.6712123 +1     0     0     0
  C    -5.11455201 +1    0.1263299 +1    0.3528762 +1     0     0     0
  C    -3.86501631 +1   -0.6474856 +1   -4.2035231 +1     0     0     0
  C    -1.01779620 +1   -1.4716248 +1   -4.9241907 +1     0     0     0
  C     0.43944004 +1   -1.9106779 +1   -4.7052205 +1     0     0     0
  C     0.63159601 +1   -5.1083337 +1   -0.7497457 +1     0     0     0
  C     2.24565882 +1   -2.7079301 +1    0.3447247 +1     0     0     0
  C    -0.90097159 +1    3.7543283 +1    2.2559436 +1     0     0     0
  C     1.16355745 +1    3.3978221 +1    3.6826139 +1     0     0     0
  C     3.53303933 +1   -0.7718795 +1    1.1114447 +1     0     0     0
  C     3.53498299 +1    1.3486058 +1    0.1099869 +1     0     0     0
  C    -1.20648363 +1    3.5464268 +1   -1.2452030 +1     0     0     0
  C    -1.65190992 +1    3.2337964 +1    1.0313579 +1     0     0     0
  C     0.77669021 +1    2.7527306 +1   -2.4461443 +1     0     0     0
  C     3.65025978 +1   -2.2095204 +1    0.5736090 +1     0     0     0
  C     4.84761395 +1   -0.1174817 +1    1.5493330 +1     0     0     0
  C     4.01696980 +1    1.7472195 +1   -1.2840316 +1     0     0     0
  C     4.65339705 +1    1.3599893 +1    1.1678904 +1     0     0     0
  C     0.02312179 +1    3.9991817 +1   -2.0503295 +1     0     0     0
  C    -2.21257929 +1    4.6441790 +1   -0.8785345 +1     0     0     0
  C    -2.72250780 +1    4.2095545 +1    0.5068676 +1     0     0     0
  C     4.31514937 +1   -3.1375007 +1    1.5849148 +1     0     0     0
  C     2.88134770 +1    1.6430180 +1   -2.3044759 +1     0     0     0
  C    -0.37670958 +1    4.7294320 +1   -3.3280733 +1     0     0     0
  C     3.36927272 +1    1.7899616 +1   -3.7369047 +1     0     0     0
  H    -1.84579261 +1    0.0036970 +1    4.4257187 +1     0     0     0
  H     0.09288684 +1   -1.9300722 +1    2.9416836 +1     0     0     0
  H    -1.83638971 +1   -2.5377870 +1    0.7216058 +1     0     0     0
  H    -4.41723333 +1   -2.6141048 +1    0.9340682 +1     0     0     0
  H    -4.30320444 +1   -1.5000570 +1    2.3111809 +1     0     0     0
  H    -2.94229152 +1    0.1002184 +1    0.6364446 +1     0     0     0
  H    -3.04351961 +1   -2.2622723 +1   -2.9818929 +1     0     0     0
  H    -1.15392200 +1    0.1686709 +1   -3.4585148 +1     0     0     0
  H     1.36777898 +1   -1.4527608 +1   -2.7454705 +1     0     0     0
  H    -0.13592976 +1   -4.1474779 +1   -3.1541178 +1     0     0     0
  H     1.63104312 +1   -3.9861416 +1   -3.2028250 +1     0     0     0
  H    -0.00467616 +1   -3.0120178 +1   -0.7503516 +1     0     0     0
  H    -0.82033985 +1   -1.5241314 +1    6.1713928 +1     0     0     0
  H    -0.11373497 +1    0.0895639 +1    6.2828814 +1     0     0     0
  H     0.79955877 +1   -1.2204438 +1    5.5184585 +1     0     0     0
  H    -0.96408517 +1   -3.5895257 +1    4.3776972 +1     0     0     0
  H    -2.38566974 +1   -2.5817154 +1    4.6807124 +1     0     0     0
  H    -1.79036112 +1   -4.3159077 +1    2.2676732 +1     0     0     0
  H    -3.35542918 +1   -3.8359983 +1    2.9177202 +1     0     0     0
  H    -5.92631896 +1   -0.5413305 +1    0.0358265 +1     0     0     0
  H    -5.08358979 +1    0.9605332 +1   -0.3634179 +1     0     0     0
  H    -5.38883728 +1    0.5448248 +1    1.3287910 +1     0     0     0
  H    -3.74792181 +1   -1.1761745 +1   -5.1583737 +1     0     0     0
  H    -3.71913272 +1    0.4253816 +1   -4.3996864 +1     0     0     0
  H    -4.90924680 +1   -0.7826118 +1   -3.8891917 +1     0     0     0
  H    -1.64861819 +1   -2.3256006 +1   -5.2242454 +1     0     0     0
  H    -1.10658802 +1   -0.7173101 +1   -5.7229845 +1     0     0     0
  H     0.67435826 +1   -2.8320828 +1   -5.2609903 +1     0     0     0
  H     1.14406201 +1   -1.1443779 +1   -5.0732921 +1     0     0     0
  H    -0.33264328 +1   -5.5496139 +1   -1.0305613 +1     0     0     0
  H     0.71163687 +1   -5.1637018 +1    0.3453602 +1     0     0     0
  H     1.42425404 +1   -5.7453351 +1   -1.1643116 +1     0     0     0
  H     0.71704858 +1    2.3159141 +1    1.8287507 +1     0     0     0
  H    -1.61136697 +1    3.9313250 +1    3.0892659 +1     0     0     0
  H    -0.44051577 +1    4.7368147 +1    2.0257181 +1     0     0     0
  H     1.92143720 +1    2.6702988 +1    4.0090193 +1     0     0     0
  H     1.69673406 +1    4.2480342 +1    3.2404779 +1     0     0     0
  H     0.65123807 +1    3.7576272 +1    4.5847481 +1     0     0     0
  H     2.75266637 +1   -0.6935868 +1    1.9095106 +1     0     0     0
  H     2.64858766 +1    1.9432230 +1    0.4248665 +1     0     0     0
  H    -1.71358425 +1    2.6735967 +1   -1.7256005 +1     0     0     0
  H    -2.06190809 +1    2.2131508 +1    1.2020100 +1     0     0     0
  H     4.22731158 +1   -2.2027847 +1   -0.3874444 +1     0     0     0
  H     5.71668041 +1   -0.5514473 +1    1.0261150 +1     0     0     0
  H     5.03266841 +1   -0.2444823 +1    2.6283888 +1     0     0     0
  H     4.85599212 +1    1.0943264 +1   -1.5984325 +1     0     0     0
  H     4.41728985 +1    2.7815674 +1   -1.2633213 +1     0     0     0
  H     5.58699766 +1    1.8066394 +1    0.7905464 +1     0     0     0
  H     4.36079518 +1    1.9619970 +1    2.0459312 +1     0     0     0
  H     0.66584145 +1    4.6570245 +1   -1.4088058 +1     0     0     0
  H     4.35832698 +1   -4.1724768 +1    1.2172306 +1     0     0     0
  H     5.34833348 +1   -2.8312590 +1    1.7959084 +1     0     0     0
  H     3.77427100 +1   -3.1519701 +1    2.5427568 +1     0     0     0
  H     2.28320516 +1    0.7123074 +1   -2.1668865 +1     0     0     0
  H    -1.01036114 +1    4.1028955 +1   -3.9733472 +1     0     0     0
  H    -0.93546072 +1    5.6487727 +1   -3.1102021 +1     0     0     0
  H     0.50289080 +1    5.0211010 +1   -3.9188690 +1     0     0     0
  H     4.07351012 +1    0.9946664 +1   -4.0077819 +1     0     0     0
  H     2.53111589 +1    1.7424508 +1   -4.4472315 +1     0     0     0
  H     3.87396652 +1    2.7521075 +1   -3.8962108 +1     0     0     0
  H    -3.02878728 +1    4.7189354 +1   -1.6148609 +1     0     0     0
  H    -1.73578536 +1    5.6379383 +1   -0.8317278 +1     0     0     0
  H    -3.70538292 +1    3.7130143 +1    0.4308578 +1     0     0     0
  H    -2.86923664 +1    5.0740014 +1    1.1730923 +1     0     0     0