Accuracy

Ru(III)O3N3(2plus) (GOKBIR) r   5027 Ru(III)O3N3(2+) (GOKBIR) (Geo)

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    #  Species Formula
  5017 Ru(II)(NH3)6 (Geo)H18N6Ru
  5018 Ru(III)N6(3+) (NEFYAY) (Geo)C5H20N6Ru
  5019 Ru(III)N6(3+) (NEFYAY)C5H20N6Ru
  5020 Ru(III)(CN)6 2T2gC6N6Ru
  5021 Ru(II)N6(2+) (VIYMIZ) (Geo)C12H18N6Ru
  5022 Ru(II)N6(2+) (VIYMIZ)C12H18N6Ru
  5023 [Ru(NH3)5H2O]++ (Geo)H17N5ORu
  5024 Methyl ruthenium(III) dihydroxide (Geo)CH5O2Ru
  5025 Ru(II)(C6H6)(H2O)3(2+) (GAWTED) (Geo)C6H12O3Ru
  5026 Ru(II)(C6H6)(H2O)3(2+) (GAWTED)C6H12O3Ru
  5027 Ru(III)O3N3(2+) (GOKBIR) (Geo) C5H18N3O3Ru
  5028 Ru(III)O3N3(2+) (GOKBIR)C5H18N3O3Ru
  5029 Ru(CN)3(CO)3(-) (XIHWEQ) (Geo)C6N3O3Ru
  5030 Ru(CN)3(CO)3(-) (XIHWEQ)C6N3O3Ru
  5031 Ethylene ruthenium tetracarbonylC6H4O4Ru
  5032 Ethylene ruthenium tetracarbonyl (Geo)C6H4O4Ru
  5033 Ruthenium pentacarbonyl (Geo)C5O5Ru
  5034 Ruthenium pentacarbonylC5O5Ru
  5035 Ru(II)(H2O)6(2+) (BONPEZ) (Geo)H12O6Ru
  5036 Ru(II)(H2O)6(2+) (BONPEZ)H12O6Ru
  5037 Ru(II)(H2O)6H12O6Ru


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=2 UHF PM7
Ru(III)O3N3(2+) (GOKBIR)
 <Ru-O> <> <O-Ru-O> <Ru-N> GR=CCDC
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.99524000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.14054926 +1   93.9074170 +1    0.0000000 +0     1     2     0
  N     2.09804400 +1   86.0335502 +1 -177.9742942 +1     1     3     2
  O     2.37648556 +1  113.9969542 +1 -118.8398795 +1     1     2     3
  C     2.35889374 +1   88.7883852 +1  -18.0469340 +1     3     1     2
  C     1.27001156 +1  117.2572524 +1   -9.6734087 +1     3     1     6
  C     1.48554991 +1  115.6049798 +1 -162.2633559 +1     7     3     1
  N     2.26256191 +1   83.7213420 +1  -61.9254082 +1     1     2     5
  N     2.35387294 +1   69.1580053 +1 -113.7831419 +1     1     2     9
  H     2.83007028 +1  147.8564569 +1   48.7579535 +1     6     3     1
  H     1.77725754 +1   94.0183923 +1  -57.1779948 +1    11     6     3
  H     1.77139906 +1   59.6847197 +1  -69.0556157 +1    12    11     6
  H     1.10819253 +1  139.6055098 +1  145.4515677 +1     6     3    11
  H     1.10864303 +1  112.0626868 +1 -119.6851617 +1     8     7     3
  H     1.10661414 +1  112.1363216 +1 -118.7622823 +1     8     7    15
  H     1.10543109 +1  112.9362675 +1 -120.8533120 +1     8     7    16
  H     0.95879379 +1  179.9797225 +1 -157.3310987 +1     5     1     2
  H     1.01014097 +1   71.6749233 +1 -151.6474049 +1     5     1    18
  H     1.01773212 +1  127.0453404 +1 -113.4050889 +1     4     1     3
  H     1.03447988 +1   95.6466227 +1  116.4807241 +1     4     1    20
  H     1.02056002 +1  109.9276737 +1  110.0929726 +1     4     1    21
  H     1.01268615 +1  123.3673421 +1  114.7137534 +1     9     1     2
  H     1.01361500 +1  112.2893012 +1  132.6179334 +1     9     1    23
  H     1.02479167 +1   96.3017058 +1  111.4896594 +1     9     1    24
  H     1.01586384 +1   91.4395386 +1  126.7633995 +1    10     1     2
  H     1.00992148 +1  117.4950678 +1  111.6840340 +1    10     1    26
  H     1.00948697 +1  119.9390039 +1  136.0640152 +1    10     1    27
  C     1.28541286 +1  120.4516321 +1   28.3718072 +1     2     1     3
  C     1.10365515 +1   36.6516068 +1   39.8752616 +1    12    11    13