Accuracy

Ru(III)N6(3plus) (NEFYAY) r   5018 Ru(III)N6(3+) (NEFYAY) (Geo)

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    #  Species Formula
  5008 Ruthenocene (Geo)C10H10Ru
  5009 RuthenoceneC10H10Ru
  5010 RuC10 (JODLIX) (Geo)C10H12Ru
  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


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=3 UHF SEXTET PM7
Ru(III)N6(3+) (NEFYAY)
 <Ru-N> GR=CCDC
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.07749700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.30918157 +1   77.6890946 +1    0.0000000 +0     1     2     0
  N     2.28842244 +1   96.3637275 +1 -177.3753071 +1     1     3     2
  C     2.81244011 +1  146.8493259 +1 -171.5478169 +1     2     3     1
  C     1.39417731 +1   59.1929808 +1  -39.2243833 +1     5     2     3
  C     1.35883282 +1  141.4064766 +1  -41.9211936 +1     2     1     3
  N     2.29676755 +1  110.6880157 +1  136.7506898 +1     1     2     7
  H     2.09400454 +1   71.4985813 +1 -171.7325997 +1     2     1     7
  H     2.17503981 +1   85.5013915 +1 -179.5346937 +1     5     2     6
  H     1.10942944 +1   94.4464156 +1  179.4680675 +1     5    10     2
  H     1.10676595 +1  120.5216577 +1  179.6402954 +1     6     5     2
  H     1.09916759 +1  116.9415701 +1   12.3666955 +1     7     2     1
  N     2.27949985 +1  100.4368596 +1  -79.3408509 +1     1     2     8
  N     2.30119763 +1   81.3307133 +1 -176.4342464 +1     1     2    14
  H     1.01952069 +1  105.6925940 +1  -24.4572148 +1     4     1    15
  H     1.01651372 +1  128.5113287 +1 -127.0306194 +1     4     1    16
  H     1.01940260 +1  101.7696319 +1 -122.0481453 +1     4     1    17
  H     1.01664938 +1  108.4173400 +1 -160.2494883 +1     3     1     2
  H     1.01854704 +1  101.2242095 +1 -111.8936105 +1     3     1    19
  H     1.01566919 +1  125.3743532 +1 -120.4005724 +1     3     1    20
  H     1.02009019 +1  105.9141802 +1   90.6883712 +1     8     1     2
  H     1.01735341 +1  125.3874680 +1  124.0300328 +1     8     1    22
  H     1.02060600 +1  105.0940026 +1  123.4513083 +1     8     1    23
  H     1.01581781 +1  131.1342680 +1  118.5576809 +1    14     1     2
  H     1.02288999 +1   93.3618287 +1 -115.7722844 +1    14     1    25
  H     1.01812084 +1  109.4645871 +1 -108.9143482 +1    14     1    26
  H     1.01943232 +1  102.8827695 +1 -112.2323944 +1    15     1     2
  H     1.01698344 +1  122.7718387 +1  119.7418217 +1    15     1    28
  H     1.01801127 +1  110.3491745 +1  127.2294332 +1    15     1    29
  C     1.10662239 +1   36.4477073 +1  171.5440590 +1     9     2     1
  C     1.10265416 +1   33.9511825 +1    0.2602762 +1    10     5     2