Accuracy

Ru(II)N6(2plus) (VIYMIZ) r   5021 Ru(II)N6(2+) (VIYMIZ) (Geo)

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    #  Species Formula
  5011 RuC10 (JODLIX)C10H12Ru
  5012 RuC10 (CEJLOS) (Geo)C13H14Ru
  5013 RuC10 (CEJLOS)C13H14Ru
  5014 RuC10 (BEPJIP) (Geo)C10H11NRu
  5015 RuC10 (BEPJIP)C10H11NRu
  5016 Ru(II)(NH3)6H18N6Ru
  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


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF CHARGE=2 RELSCF=50 PM7
Ru(II)N6(2+) (VIYMIZ)
 <Ru-N> GR=CCDC
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.02423400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.16519771 +1  179.9678841 +1    0.0000000 +0     2     1     0
  C     1.43042897 +1  179.9755180 +1 -156.9401410 +1     3     2     1
  N     2.19483023 +1  179.9600822 +1   -0.2882070 +1     1     2     3
  N     2.20412747 +1   90.2320677 +1    5.0796595 +1     1     2     3
  N     2.20417259 +1   90.1361591 +1 -179.9802271 +1     1     2     6
  N     2.20407967 +1   90.2595190 +1  -89.9704125 +1     1     2     7
  N     2.20423273 +1   90.1417841 +1 -179.9718289 +1     1     2     8
  C     1.16238097 +1  179.9753348 +1   40.7126431 +1     5     1     6
  C     1.16244817 +1  137.1146033 +1  179.9094051 +1     6     2     1
  C     1.16232187 +1  136.9646455 +1 -179.8881971 +1     7     2     1
  C     1.16231439 +1  137.2134682 +1  179.9934134 +1     8     2     1
  C     1.16230768 +1  136.9752074 +1 -179.8603811 +1     9     2     1
  C     1.43092013 +1  179.9726758 +1  -71.5886684 +1    10     5     8
  C     1.43088746 +1  179.9953569 +1  166.0015874 +1    11     6     9
  C     1.43086337 +1  179.9865908 +1   13.9977872 +1    12     7     8
  C     1.43087022 +1  179.9765013 +1 -106.3294915 +1    13     8     7
  C     1.43086031 +1  179.9834684 +1  -73.6719343 +1    14     9     6
  H     1.11173187 +1  112.4280797 +1  -42.2471239 +1     4     3     7
  H     1.11174658 +1  112.4135931 +1  120.0047516 +1     4     3    20
  H     1.11177114 +1  112.4285453 +1  119.9945340 +1     4     3    21
  H     1.11219172 +1  112.4877895 +1 -137.9434569 +1    15    10     6
  H     1.11218878 +1  112.4784523 +1 -119.9815696 +1    15    10    23
  H     1.11218443 +1  112.4865051 +1 -120.0007120 +1    15    10    24
  H     1.11233895 +1  112.4540049 +1   64.7390731 +1    16    11     9
  H     1.11223437 +1  112.4841049 +1  119.9769376 +1    16    11    26
  H     1.11221413 +1  112.5151803 +1  120.0175567 +1    16    11    27
  H     1.11231329 +1  112.4548312 +1  119.6058412 +1    17    12     8
  H     1.11221788 +1  112.4892767 +1 -120.0045230 +1    17    12    29
  H     1.11223071 +1  112.5083284 +1 -120.0179808 +1    17    12    30
  H     1.11227846 +1  112.4587140 +1 -149.9640747 +1    18    13     5
  H     1.11215682 +1  112.5155045 +1  120.0149518 +1    18    13    32
  H     1.11222386 +1  112.4910561 +1  120.0305411 +1    18    13    33
  H     1.11231978 +1  112.4501110 +1  -29.9721190 +1    19    14     2
  H     1.11222654 +1  112.5106946 +1 -119.9882236 +1    19    14    35
  H     1.11224937 +1  112.4871463 +1 -120.0182919 +1    19    14    36