Accuracy

Cr(II)S2P4(0) (JIYDOK) r   3200 Cr(II)S2P4(0) (JIYDOK) (Geo)

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    #  Species Formula
  3190 Cr(III)N2F2O2 (BUTDAV)C2H12N2O2F2Cr
  3191 Cr(III)N2F2O2 (BUTDAV) (Geo)C2H12N2O2F2Cr
  3192 CrF4N2 (DIYFEW) (Geo)C2H8N2F4Cr
  3193 CrF5, anionF5Cr
  3194 Cr(III)F5O(2-) (YASHAB) (Geo)H2OF5Cr
  3195 Cr(III)F5OH2OF5Cr
  3196 Chromium(IV) hexafluoride (Geo)F6Cr
  3197 Chromium(III) hexafluorideF6Cr
  3198 NaCrO4(-)O4NaCr
  3199 Cr(PF3)6F18P6Cr
  3200 Cr(II)S2P4(0) (JIYDOK) (Geo) C12H34P4S2Cr
  3201 Cr(II)S4 (CUWLIP)C4H8S4Cr
  3202 Cr(II)S4(2-) (CUWLIP) (Geo)C4H8S4Cr
  3203 Chromium(I) chlorideClCr
  3204 Chromium(I) chloride (Geo)ClCr
  3205 Cr(CO)4ClMe (CATYOL)C6H3O4ClCr
  3206 Cr(CO)4ClMe (CATYOL) (Geo)C6H3O4ClCr
  3207 Chromium dichlorideCl2Cr
  3208 CrCpCl2O (AFEHIC)C10H15OCl2Cr
  3209 CrCpCl2O (AFEHIC) (Geo)C10H15OCl2Cr
  3210 Chromium dioxide dichlorideO2Cl2Cr


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF QUINTET PM7
Cr(II)S2P4(0) (JIYDOK)
 <Cr-S> <Cr-P> <S-Cr-P> GR=CCDC
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.39100500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  P     2.35833200 +1   89.4103980 +1    0.0000000 +0     1     2     0
  P     0.04895981 +1    0.1939255 +1    2.4609469 +1     0     0     0
  C    -1.49087448 +1    3.3069256 +1   -0.6692360 +1     0     0     0
  C     1.43107101 +1    3.3595544 +1   -0.8011026 +1     0     0     0
  C     0.12614845 +1    3.0981220 +1    1.8481743 +1     0     0     0
  C    -0.21435156 +1    2.0907945 +1    2.9634954 +1     0     0     0
  C    -1.28599581 +1   -0.6358379 +1    3.5293991 +1     0     0     0
  C     1.61512018 +1   -0.2473906 +1    3.4290596 +1     0     0     0
  S    -2.05943427 +1   -0.0735425 +1   -0.0474493 +1     0     0     0
  P     0.11114304 +1   -2.5098468 +1   -0.0082148 +1     0     0     0
  P     0.14546866 +1   -0.2447690 +1   -2.4855755 +1     0     0     0
  C     1.69724110 +1   -3.4200325 +1    0.4736341 +1     0     0     0
  C    -1.19716208 +1   -3.5336632 +1    0.9108537 +1     0     0     0
  C    -0.17674428 +1   -3.1342290 +1   -1.8560502 +1     0     0     0
  C     0.30120525 +1   -2.1542624 +1   -2.9520302 +1     0     0     0
  C     1.60513662 +1    0.4729174 +1   -3.4401859 +1     0     0     0
  C    -1.33331163 +1    0.3006106 +1   -3.5330194 +1     0     0     0
  H    -2.41146687 +1    3.0054112 +1   -0.1211167 +1     0     0     0
  H    -1.66327066 +1    3.0641311 +1   -1.7384321 +1     0     0     0
  H    -1.36966901 +1    4.4015116 +1   -0.5727373 +1     0     0     0
  H     2.41932862 +1    2.9355903 +1   -0.4972810 +1     0     0     0
  H     1.38445823 +1    3.2871158 +1   -1.9069408 +1     0     0     0
  H     1.40817120 +1    4.4278922 +1   -0.5194904 +1     0     0     0
  H     1.16717781 +1    3.4786205 +1    1.9853336 +1     0     0     0
  H    -0.55819618 +1    3.9717743 +1    1.9156285 +1     0     0     0
  H     0.40340261 +1    2.3130819 +1    3.8629029 +1     0     0     0
  H    -1.28551786 +1    2.2062578 +1    3.2619058 +1     0     0     0
  H    -1.23905736 +1   -0.3116587 +1    4.5873464 +1     0     0     0
  H    -1.17780396 +1   -1.7404497 +1    3.5062765 +1     0     0     0
  H    -2.30248259 +1   -0.3983491 +1    3.1447136 +1     0     0     0
  H     1.86772434 +1   -1.3219825 +1    3.2949128 +1     0     0     0
  H     1.53083950 +1   -0.0423101 +1    4.5126779 +1     0     0     0
  H     2.48393022 +1    0.3321781 +1    3.0345309 +1     0     0     0
  H     1.97331649 +1   -3.1899623 +1    1.5270154 +1     0     0     0
  H     1.62153429 +1   -4.5185390 +1    0.3659437 +1     0     0     0
  H     2.54875087 +1   -3.0690640 +1   -0.1577541 +1     0     0     0
  H    -1.14944654 +1   -4.6097970 +1    0.6517469 +1     0     0     0
  H    -2.22231299 +1   -3.1726531 +1    0.6719422 +1     0     0     0
  H    -1.06842011 +1   -3.4425903 +1    2.0104066 +1     0     0     0
  H     0.33463573 +1   -4.1140427 +1   -1.9973585 +1     0     0     0
  H    -1.27560500 +1   -3.3210049 +1   -1.9704937 +1     0     0     0
  H     1.37938224 +1   -2.3475685 +1   -3.1861961 +1     0     0     0
  H    -0.27399036 +1   -2.3492825 +1   -3.8861491 +1     0     0     0
  H     2.56454187 +1    0.1915336 +1   -2.9342062 +1     0     0     0
  H     1.65307173 +1    0.1305790 +1   -4.4908142 +1     0     0     0
  H     1.57483846 +1    1.5845927 +1   -3.4345017 +1     0     0     0
  H    -1.20909390 +1    0.0589315 +1   -4.6060034 +1     0     0     0
  H    -2.26833807 +1   -0.1881344 +1   -3.1710612 +1     0     0     0
  H    -1.49590851 +1    1.3973487 +1   -3.4394263 +1     0     0     0
  H     3.59677539 +1   -0.3187923 +1    0.3575731 +1     0     0     0
  H    -3.28551658 +1   -0.3989312 +1    0.2517465 +1     0     0     0