Accuracy

Ru(CO)3(H2O)3(2plus) (GOZYOJ01) r   5039 Ru(CO)3(H2O)3(2+) (GOZYOJ01) (Geo)

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    #  Species Formula
  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
  5038 Ru(II)(H2O)6 (Geo)H12O6Ru
  5039 Ru(CO)3(H2O)3(2+) (GOZYOJ01) (Geo) C3H6O6Ru
  5040 Ru(CO)3(H2O)3(2+) (GOZYOJ01)C3H6O6Ru
  5041 Ru(Acac)2.2H2OC10H18O6Ru
  5042 Ru(Acac)2.2H2O (Geo)C10H18O6Ru
  5043 Ru(III)O6 (ACACRU) (Geo)C15H21O6Ru
  5044 Ru(III)O6 (ACACRU)C15H21O6Ru
  5045 Ru(C4H4N2COO)2(H2O)2C10H10N4O6Ru
  5046 Ru(C4H4N2COO)2(H2O)2 (Geo)C10H10N4O6Ru
  5047 Ru(NO2)4(CO)(H2O)(2+) (ILEVOK) (Geo)CH2N4O10Ru
  5048 Ru(III)(Ox)3(3-) (DUKNOM) (Geo)C6O12Ru
  5049 Ru(III)(Ox)3(3-) (DUKNOM)C6O12Ru


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(CO)3(H2O)3(2+) (GOZYOJ01)
 <Ru-O> <Ru-C><O-Ru-C> GR=CCDC
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.11253000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.92230300 +1   94.2853820 +1    0.0000000 +0     1     2     0
  O     2.34494587 +1   72.0111980 +1 -171.4357133 +1     1     2     3
  H     0.97207124 +1  132.6552777 +1  -90.2651175 +1     2     1     3
  H     0.96744646 +1  127.9820617 +1  -24.7213080 +1     4     1     2
  H     0.97287866 +1  118.3822900 +1 -145.8171470 +1     4     1     6
  O     2.36211790 +1   70.8169988 +1   69.2693394 +1     1     2     4
  H     0.96741156 +1  125.0433753 +1 -100.6548086 +1     8     1     2
  H     0.97103479 +1  119.7609565 +1 -143.9173400 +1     8     1     9
  C     2.08150579 +1  100.6448683 +1 -172.0614854 +1     1     2     8
  O     1.13891872 +1  131.2248460 +1 -168.2746675 +1    11     2     1
  C     2.08343429 +1  171.3773902 +1  160.0388945 +1     1     2    11
  O     1.13904237 +1  168.7593040 +1  -24.7514990 +1    13     1     2
  O     1.14377535 +1  124.7627860 +1  171.6681525 +1     3     2     1
  H     0.97314647 +1  119.8700098 +1  171.7969620 +1     2     1     5