Accuracy

ReC6(CO)3(plus) (CIZNUU) r   7435 ReC6(CO)3(+) (CIZNUU) (Geo)

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    #  Species Formula
  7425 Re(VI)C2O2 (FOHYEG)C18H22O2Re
  7426 Re(V)N4O2(+) (DXENRD) (Geo)C4H16N4O2Re
  7427 Re(V)N4O2(+) (DXENRD)C4H16N4O2Re
  7428 ReN4(CO)2(+) (CASMAK) (Geo)C10H12N4O2Re
  7429 ReN4(CO)2(+) (CASMAK)C10H12N4O2Re
  7430 Methyl rhenium(VII) trioxide (Geo)CH3O3Re
  7431 Re(C5H5)(CO)3C8H5O3Re
  7432 Re(C5H5)(CO)3 (Geo)C8H5O3Re
  7433 Re(Cp)(CO)3 (COCPRE) (Geo)C8H5O3Re
  7434 Re(Cp)(CO)3 (COCPRE)C8H5O3Re
  7435 ReC6(CO)3(+) (CIZNUU) (Geo) C12H12O3Re
  7436 ReC6(CO)3(+) (CIZNUU)C12H12O3Re
  7437 Re(VII)O4(-) (AMOGOY) (Geo)O4Re
  7438 Re(VII)O4(-) (AMOGOY)O4Re
  7439 Rhenium pentacarbonyl, anion (Geo)C5O5Re
  7440 Rhenium pentacarbonyl, anionC5O5Re
  7441 Re(V)O5(-) (HEFYAS) (Geo)C12H8O5Re
  7442 Re(V)O5(-) (HEFYAS)C12H8O5Re
  7443 Re(IV)(H2O)6 d3 (Geo)H12O6Re
  7444 Re(II)(H2O)6 d5 (Geo)H12O6Re
  7445 Re(II)(H2O)6 2TgH12O6Re


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
ReC6(CO)3(+) (CIZNUU)
 <Re-C> <C-O><> <><C-Re-C><> <Re-C> GR=CCDC
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.87957900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.14594400 +1  172.3226036 +1    0.0000000 +0     2     1     0
  C     1.93949203 +1   89.9122830 +1 -156.8408235 +1     1     2     3
  C     2.33043300 +1   97.2765031 +1  130.3550984 +1     1     2     4
  C     1.95310420 +1   95.7750938 +1  156.1715646 +1     1     2     5
  O     1.14365574 +1  142.0085773 +1  170.3108346 +1     6     2     1
  C     1.44861627 +1   72.8987779 +1  151.9225316 +1     5     1     2
  C     1.41939177 +1  120.8040846 +1   63.2602986 +1     8     5     1
  C     1.39590801 +1  118.9985413 +1   -7.6505559 +1     9     8     5
  C     1.45605014 +1  119.4048512 +1    1.2481000 +1    10     9     8
  C     1.42758376 +1  121.0397167 +1   11.3521689 +1    11    10     9
  C     1.47712470 +1  118.9804056 +1 -179.1182287 +1     8     5     9
  C     1.47951551 +1  121.1007187 +1  179.4041930 +1    10     9    11
  C     1.47857815 +1  120.8148518 +1  167.6610925 +1    12    11    10
  H     1.09539925 +1  126.0642862 +1 -113.5708317 +1     5     1     8
  H     1.09244289 +1  119.9658735 +1 -178.7330078 +1     9     8    10
  H     1.09864808 +1  118.6813732 +1  165.6219822 +1    11    10    12
  H     1.10966415 +1  112.0531056 +1  103.2532276 +1    13     8     5
  H     1.10359028 +1  114.0009471 +1 -120.2941158 +1    13     8    19
  H     1.10646246 +1  112.7006776 +1 -121.1116939 +1    13     8    20
  H     1.10184285 +1  114.9398041 +1  152.5355943 +1    14    10     9
  H     1.10424671 +1  113.5541076 +1 -123.0567463 +1    14    10    22
  H     1.11089557 +1  110.4409560 +1 -117.8930031 +1    14    10    23
  H     1.10221542 +1  113.9865449 +1   24.8288500 +1    15    12    11
  H     1.10374199 +1  113.5917158 +1  122.3213709 +1    15    12    25
  H     1.10931090 +1  110.7830197 +1  118.5983690 +1    15    12    26
  O     1.14718644 +1  138.3063843 +1  177.8414517 +1     4     2     1