Accuracy

Re(III)(Cp)2(plus) (DAXJIV) r   7416 Re(III)(Cp)2(+) (DAXJIV) (Geo)

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    #  Species Formula
  7406 Tungsten(VI) hexaiodide (Geo)I6W
  7407 W2(CO)10 dianion (Geo)C10O10W2
  7408 W2(CO)10 dianionC10O10W2
  7409 W(IV)2Cl4O6 (BAKFAU)C6H18O6Cl4W2
  7410 W(IV)2Cl4O6 (BAKFAU) (Geo)C6H20O6Cl4W2
  7411 WF6(2-) (JUTPET) (Geo)F18W4
  7412 Rhenium, cationRe
  7413 Rhenium, atomRe
  7414 ReH3H3Re
  7415 ReH3 (Geo)H3Re
  7416 Re(III)(Cp)2(+) (DAXJIV) (Geo) C10H10Re
  7417 Re(III)(Cp)2(+) (DAXJIV)C10H10Re
  7418 Re(C5H5)(C6H6)C11H11Re
  7419 Re(C5H5)(C6H6) (Geo)C11H11Re
  7420 Re(II)(NH3)6H18N6Re
  7421 Re(II)(NH3)6 (Geo)H18N6Re
  7422 Re(VI)(Me)4O (MOTVIA) (Geo)C4H12ORe
  7423 Re(VI)(Me)4O (MOTVIA)C4H12ORe
  7424 Re(VI)C2O2 (FOHYEG) (Geo)C18H22O2Re
  7425 Re(VI)C2O2 (FOHYEG)C18H22O2Re
  7426 Re(V)N4O2(+) (DXENRD) (Geo)C4H16N4O2Re


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF CHARGE=1 PM7
Re(III)(Cp)2(+) (DAXJIV)
 <Re-C> GR=CCDC
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.27110600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.45479362 +1   72.3463527 +1    0.0000000 +0     2     1     0
  C     1.43059938 +1  107.9226242 +1   61.6192514 +1     3     2     1
  C     1.45657293 +1  108.0790261 +1    1.5784707 +1     4     3     2
  C     1.44631185 +1   73.2860829 +1  115.3766813 +1     2     1     3
  H     1.08202476 +1  125.0570058 +1  122.8053566 +1     2     1     6
  H     1.08480706 +1  125.4862952 +1  179.4770714 +1     3     2     4
  H     1.08097928 +1  125.8558094 +1  171.5389372 +1     4     3     5
  H     1.08083946 +1  125.5741898 +1  171.8083734 +1     5     4     3
  H     1.08560347 +1  125.5955985 +1  118.4940581 +1     6     2     1
  C     2.18676490 +1  161.9267624 +1  121.1073107 +1     1     2     3
  C     1.45777500 +1   74.4286581 +1 -119.7500183 +1    12     1     2
  C     1.42869663 +1  107.5000247 +1  -61.6489909 +1    13    12     1
  C     1.45413724 +1  108.4026715 +1   -3.6349842 +1    14    13    12
  C     1.45831235 +1   74.4186276 +1 -114.0521991 +1    12     1    13
  H     1.08308229 +1  125.2852222 +1 -122.9937731 +1    12     1    16
  H     1.08453399 +1  125.6114632 +1  179.6600219 +1    13    12    14
  H     1.08162197 +1  125.7514972 +1 -172.4471824 +1    14    13    15
  H     1.08165344 +1  125.2989495 +1 -172.6917456 +1    15    14    13
  H     1.08453931 +1  125.6062150 +1 -117.8774288 +1    16    12     1