Accuracy

Re(V)Br3N2O (BAWSAU) r   7502 Re(V)Br3N2O (BAWSAU) (Geo)

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    #  Species Formula
  7492 Re(I)(CO)3)N2Br (BATYAW) (Geo)C7H14N2O3BrRe
  7493 Re(I)(CO)3)N2Br (BATYAW)C7H14N2O3BrRe
  7494 Re(CO)5Br (FOWTOA) (Geo)C5O5BrRe
  7495 Re(CO)5Br (FOWTOA)C5O5BrRe
  7496 Re(CO)5BrC5O5BrRe
  7497 Re(CO)5Br (Geo)C5O5BrRe
  7498 Re(V)(Cp)2Br2(+) (CPBRRE) (Geo)C10H10Br2Re
  7499 Re(V)(Cp)2Br2(+) (CPBRRE)C10H10Br2Re
  7500 Rhenium(III) tribromide (Geo)Br3Re
  7501 Rhenium(III) tribromideBr3Re
  7502 Re(V)Br3N2O (BAWSAU) (Geo) C10H8N2OBr3Re
  7503 Re(V)Br3N2O (BAWSAU)C10H8N2OBr3Re
  7504 Re(IV)Br4N2 (BAWSEY) (Geo)C10H8N2Br4Re
  7505 Re(IV)Br4N2 (BAWSEY)C10H8N2Br4Re
  7506 Re(V)Br6(-) (COJYAB) (Geo)Br6Re
  7507 Re(V)Br6(-) (COJYAB)Br6Re
  7508 Re(IV)Br6(2-) (AYOMAC) (Geo)Br6Re
  7509 Re(IV)Br6(2-) (AYOMAC)Br6Re
  7510 Rhenium(I) iodide (Geo)IRe
  7511 Rhenium(I) iodideIRe
  7512 Dimethyl rhenium iodideC2H6IRe


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PM7
Re(V)Br3N2O (BAWSAU)
 <Re-Br> <><Br-Re-Br> <Re-O><><> <Re-N> GR=CCDC
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.48888700 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.43749167 +1   88.6940340 +1    0.0000000 +0     1     2     0
  O     1.68935600 +1  109.5096808 +1  -98.2520992 +1     1     2     3
  N     2.25640200 +1   72.5965500 +1 -170.4524767 +1     1     2     4
  C     1.37052357 +1  115.6932753 +1   86.0447569 +1     5     1     2
  C     1.39432955 +1  122.0895007 +1 -178.8270177 +1     6     5     1
  H     1.08849706 +1  121.0802351 +1  179.7441055 +1     7     6     5
  C     1.39761573 +1  119.0969616 +1 -179.9969237 +1     7     6     8
  H     1.09170869 +1  120.0970105 +1  179.8124330 +1     9     7     6
  C     1.38738338 +1  119.0262895 +1  179.8682905 +1     9     7    10
  H     1.09024440 +1  121.1659029 +1 -179.6776913 +1    11     9     7
  C     1.34819225 +1  126.1015315 +1 -179.5883918 +1     5     1     6
  H     1.10337113 +1  117.8343237 +1   -1.3214260 +1    13     5     1
  N     2.16764917 +1   84.3397244 +1   74.7419315 +1     1     2     5
  C     1.36316469 +1  119.2219483 +1  -69.3452698 +1    15     1     2
  C     1.39804124 +1  121.1432154 +1  175.5784981 +1    16    15     1
  H     1.08915465 +1  120.8978537 +1 -179.5111168 +1    17    16    15
  C     1.39511288 +1  119.0523408 +1  179.9873734 +1    17    16    18
  H     1.09174439 +1  120.0759906 +1  179.8789001 +1    19    17    16
  C     1.39261919 +1  119.4534661 +1 -179.9748105 +1    19    17    20
  H     1.08988674 +1  120.8744833 +1  179.8700922 +1    21    19    17
  C     1.35141427 +1  120.8417494 +1  176.0791423 +1    15     1    16
  H     1.10486062 +1  117.1989387 +1    4.0532088 +1    23    15     1
 Br     2.47824098 +1  144.8630262 +1  -65.1287080 +1     1     2    15