Accuracy

ca(ii)o6 (boltif) r   2755 Ca(II)O6 (BOLTIF) (Geo)

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    #  Species Formula
  2745 Ca(II)(Cp)2O2 (SEHPEA) (Geo)C16H24O2Ca
  2746 Ca(II)(Cp)2O2 (SEHPEA)C16H24O2Ca
  2747 Ca(II)O2 (TASFOI) (Geo)C8H10O4Ca
  2748 Ca(II)O2 (TASFOI)C8H10O4Ca
  2749 Ca(OH)2.(H2O)4H10O6Ca
  2750 Ca(OH)2.(H2O)4 (Geo)H10O6Ca
  2751 Ca(++)(H2O)5.OHH11O6Ca
  2752 Ca(++)(H2O)5.OH (Geo)H11O6Ca
  2753 Ca(II)(H2O)6(2+) (BIHNIQ) (Geo)H12O6Ca
  2754 Ca(II)(H2O)6(2+) (BIHNIQ)H12O6Ca
  2755 Ca(II)O6 (BOLTIF) (Geo) C10H18O6Ca
  2756 Ca(II)O6 (BOLTIF)C10H18O6Ca
  2757 Ca(II)O7N2(2+) (CACRPB) (Geo)C18H38N2O7Ca
  2758 Ca(++)(Edta) (Geo)C10H12N2O8Ca
  2759 Ca(++)(Edta)C10H12N2O8Ca
  2760 Ca(II)O6N2 (LINYAI) (Geo)C10H14N4O8Ca
  2761 Ca(II)O6N2 (LINYAI)C10H14N4O8Ca
  2762 Ca(II)O8 (GEBPAE) (Geo)C4H12N2O10Ca
  2763 Ca(II)O8 (GEBPAE)C4H12N2O10Ca
  2764 Calcium hydrogen trisoxalate (Geo)C6H3O12Ca
  2765 Calcium hydrogen trisoxalateC6H3O12Ca


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Ca(II)O6 (BOLTIF)
 <Ca-O> <><O-Ca-O> GR=CCDC
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.33611300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.06084736 +1   76.2074970 +1    0.0000000 +0     1     2     0
  O     2.36042445 +1  107.4852483 +1  -66.6097978 +1     1     2     3
  C     1.23861565 +1  107.8453492 +1  -63.4428382 +1     2     1     3
  C     1.41050310 +1  124.7371486 +1   43.3327466 +1     5     2     1
  C     1.25405546 +1  115.9561255 +1   62.1091835 +1     3     1     2
  C     1.51200115 +1  116.9094694 +1  177.9127147 +1     5     2     6
  C     1.50749519 +1  115.5344252 +1  140.3110818 +1     7     3     1
  H     1.07883667 +1  118.3417795 +1  178.4948704 +1     6     5     2
  H     1.09584026 +1  111.0843561 +1 -124.8549519 +1     8     5     2
  H     1.09648442 +1  111.3888681 +1  120.2963616 +1     8     5    11
  H     1.09628662 +1  110.3972396 +1  120.0506638 +1     8     5    12
  H     1.09816487 +1  111.2893151 +1    0.4154065 +1     9     7     3
  H     1.09684465 +1  110.9198771 +1  120.1205219 +1     9     7    14
  H     1.09641871 +1  110.8148986 +1  119.7544133 +1     9     7    15
  H     0.97638236 +1  110.8768743 +1   56.6078587 +1     4     1     2
  H     0.97275808 +1  112.8346268 +1  115.5844423 +1     4     1    17
  O     2.04981889 +1   74.1709184 +1 -174.5229950 +1     1     4     2
  O     2.04993561 +1   89.2933856 +1   59.4204977 +1     1     2     5
  O     2.34713011 +1   66.7895876 +1   73.5521546 +1     1     2    20
  C     1.24780459 +1  119.1533640 +1   87.3984125 +1    19     1     3
  C     1.24889459 +1  118.8826118 +1 -138.0560244 +1    20     1     2
  H     0.97422810 +1  111.9435375 +1  -98.6796126 +1    21     1     2
  H     0.98141766 +1  110.5166642 +1  114.0272099 +1    21     1    24
  C     1.39979216 +1  125.6361185 +1  -23.7916153 +1    23    20     1
  C     1.50824631 +1  115.1195371 +1 -160.6601089 +1    22    19     1
  C     1.50721377 +1  115.1243891 +1 -179.0195518 +1    23    20    26
  H     1.08496460 +1  116.7538605 +1  178.2805204 +1    26    23    20
  H     1.09695775 +1  111.0743310 +1 -122.3420744 +1    27    22    19
  H     1.09866212 +1  111.4140377 +1  120.0683699 +1    27    22    30
  H     1.09697090 +1  110.8912499 +1  120.0962217 +1    27    22    31
  H     1.09902303 +1  111.3241741 +1    3.3367658 +1    28    23    20
  H     1.09627175 +1  111.3854700 +1  120.5281199 +1    28    23    33
  H     1.09782474 +1  110.6197048 +1  119.9369360 +1    28    23    34