Accuracy

ReN4(CO)2(plus) (CASMAK) r   7428 ReN4(CO)2(+) (CASMAK) (Geo)

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    #  Species Formula
  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
  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


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
ReN4(CO)2(+) (CASMAK)
 <Re-C> <><C-Re-C> <C-O><><> <><><> <Re-N> GR=CCDC
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.87803600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.93379191 +1   89.4877900 +1    0.0000000 +0     1     2     0
  O     1.14967200 +1  134.7162653 +1  179.9655917 +1     2     3     1
  O     1.15268825 +1  136.5658117 +1 -179.5337131 +1     3     2     1
  N     2.07213200 +1   90.7205744 +1  -84.6111419 +1     1     2     3
  N     2.18174267 +1   89.9112843 +1  -98.9959137 +1     1     2     6
  N     2.23666655 +1   90.3123259 +1  179.8952360 +1     1     7     2
  N     2.10251824 +1   89.4448774 +1   88.7286858 +1     1     2     3
  C     1.16326617 +1  137.6993111 +1  179.3250407 +1     6     2     1
  C     1.42798910 +1  179.4418986 +1  -10.2470944 +1    10     6     2
  C     1.15905581 +1  179.2496912 +1  130.9086231 +1     7     1     2
  C     1.43040104 +1  179.7391327 +1  160.4369210 +1    12     7     9
  C     1.15802481 +1  179.0544254 +1   69.5530828 +1     8     1     3
  C     1.43202246 +1  179.7340202 +1   67.1885614 +1    14     8     6
  C     1.16203101 +1  177.3866019 +1  -82.4514937 +1     9     1     2
  C     1.42858607 +1  179.5216967 +1  109.5468631 +1    16     9     3
  H     1.11263069 +1  112.2937840 +1 -120.1203270 +1    11    10     8
  H     1.10958980 +1  112.7646727 +1  120.3375824 +1    11    10    18
  H     1.11145904 +1  112.2444235 +1  120.2711916 +1    11    10    19
  H     1.11124318 +1  112.3731778 +1   24.6214928 +1    13    12     9
  H     1.10960467 +1  112.6125184 +1 -120.2656047 +1    13    12    21
  H     1.11183875 +1  112.2838756 +1 -120.1770097 +1    13    12    22
  H     1.11073523 +1  112.2525332 +1 -142.1765707 +1    15    14     7
  H     1.10987163 +1  112.3766446 +1 -119.8364321 +1    15    14    24
  H     1.10908749 +1  112.4463657 +1 -120.1410069 +1    15    14    25
  H     1.11261795 +1  112.2213277 +1 -164.3635786 +1    17    16     7
  H     1.10934954 +1  112.7634753 +1 -120.1850181 +1    17    16    27
  H     1.11144938 +1  112.3127922 +1 -120.4396274 +1    17    16    28