Accuracy

Re(iv)Cl5N(-) r   7481 Re(iv)Cl5(Py) anion (Geo)

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    #  Species Formula
  7471 Re(CO)5Cl (FOHCAG)C5O5ClRe
  7472 Re(III)P4Cl2(+) (DAKJII) (Geo)C12H32P4Cl2Re
  7473 Rhenium(III) trichloride (Geo)Cl3Re
  7474 Rhenium(III) trichlorideCl3Re
  7475 Re(V)O2Cl4(-) (FOAMDS10) (Geo)H2O2Cl4Re
  7476 Re(V)O2Cl4(-) (FOAMDS10)H2O2Cl4Re
  7477 Re(IV)O2Cl4 (JOXLEN) (Geo)C4H10O2Cl4Re
  7478 Re(IV)O2Cl4 (JOXLEN)C4H10O2Cl4Re
  7479 Re(IV)Cl5C(-) (BACMIR) (Geo)C2H3NCl5Re
  7480 Re(IV)Cl5C(-) (BACMIR)C2H3NCl5Re
  7481 Re(iv)Cl5(Py) anion (Geo) C5H5NCl5Re
  7482 Re(IV)NCl5(-) (AKINUD) (Geo)C5H5NCl5Re
  7483 Re(IV)NCl5(-) (AKINUD)C5H5NCl5Re
  7484 Re(IV)Cl6(2-) (AYOLUV) (Geo)Cl6Re
  7485 Re(IV)Cl6(2-) (AYOLUV)Cl6Re
  7486 Rhenium(I) bromide (Geo)BrRe
  7487 Rhenium(I) bromideBrRe
  7488 Dimethyl rhenium bromideC2H6BrRe
  7489 Dimethyl rhenium bromide (Geo)C2H6BrRe
  7490 Rhenium(III) oxide bromide (Geo)OBrRe
  7491 Rhenium(III) oxide bromideOBrRe


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 UHF PM7
Re(iv)Cl5(Py) anion
 <Re-Cl(ax)> <Re-N><> <Re-Cl(eq)> GR=CCDC
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.35218100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.17088900 +1   86.7478840 +1    0.0000000 +0     1     2     0
 Cl     2.35682500 +1   86.4925383 +1  156.4152704 +1     1     2     3
  C     1.35565745 +1  121.2849112 +1   31.2799395 +1     3     1     2
  H     1.10604625 +1  117.8826523 +1   -0.3767205 +1     5     3     1
  C     1.39849576 +1  121.7888637 +1  179.4848063 +1     5     3     6
  H     1.08514814 +1  119.8448475 +1  179.3530099 +1     7     5     3
  C     1.39237599 +1  119.2183050 +1  179.7582746 +1     7     5     8
  H     1.08704273 +1  120.4830630 +1 -179.9898851 +1     9     7     5
  C     1.39246860 +1  119.0028367 +1  179.7560538 +1     9     7    10
  H     1.08555068 +1  121.0026004 +1 -179.2930686 +1    11     9     7
  C     1.35721575 +1  119.6860618 +1  177.4719749 +1     3     1     5
  H     1.10684482 +1  118.0708810 +1    1.0270972 +1    13     3     1
 Cl     2.33303430 +1  100.8825095 +1  -84.7052294 +1     1     2     4
 Cl     2.36165107 +1   85.2857869 +1  177.8091588 +1     1    15     2
 Cl     2.33321844 +1   90.7301918 +1 -102.5813315 +1     1     2     6