Accuracy

Ru(II)(H2O)6(2plus) (BONPEZ) r   5035 Ru(II)(H2O)6(2+) (BONPEZ) (Geo)

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    #  Species Formula
  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
  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


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 QUINTET PM7
Ru(II)(H2O)6(2+) (BONPEZ)
 <Ru-O> GR=CCDC
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.13910000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     4.32917195 +1  145.6911270 +1    0.0000000 +0     1     2     0
  O     2.22455049 +1  110.8000440 +1  -96.9646522 +1     1     2     3
  O     2.19193053 +1   67.1183880 +1 -172.6293790 +1     1     4     2
  O     2.69849807 +1  124.5515316 +1  -66.5093232 +1     1     2     4
  O     2.24477122 +1   66.7622016 +1 -113.5635003 +1     1     2     6
  H     0.99874118 +1   99.8191925 +1   51.2226072 +1     2     1     3
  H     0.97089060 +1  149.9545098 +1  164.8886695 +1     2     1     8
  H     0.96477716 +1  123.9964161 +1  -77.6826153 +1     3     1     2
  H     0.96539730 +1  129.5450340 +1 -177.0179775 +1     3     1    10
  H     0.96775876 +1  132.1676565 +1   61.6651692 +1     4     1     2
  H     0.98300933 +1  118.1878357 +1 -174.8686994 +1     4     1    12
  H     1.01763354 +1  128.2800007 +1   -0.4053895 +1     5     1     3
  H     0.97354127 +1  123.6797609 +1  173.5612877 +1     5     1    14
  H     0.96829607 +1  156.5481006 +1  -34.3331119 +1     6     1     2
  H     1.00717174 +1   52.0603955 +1  -25.9106388 +1     6     1    16
  H     0.97000083 +1  135.7289429 +1  -72.2634927 +1     7     1     2
  H     0.98114990 +1  110.3599581 +1 -148.6537396 +1     7     1    18