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