Accuracy
Ni(III)I3P2 (GAPYAX) r
6151 Ni(III)I3P2 (GAPYAX) (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)
UHF QUARTET PM7
Ni(III)I3P2 (GAPYAX)
<Ni-I> <><> <Ni-P> GR=CCDC
I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 4.45850500 +1 0.0000000 +0 0.0000000 +0 1 0 0
Ni 2.57265042 +1 29.9898582 +1 0.0000000 +0 2 1 0
P 2.24490800 +1 90.1127219 +1 -90.1849314 +1 3 2 1
P 2.25539440 +1 90.0239954 +1 -179.8462802 +1 3 2 4
C 1.87364475 +1 114.8325746 +1 179.9381562 +1 4 3 2
C 1.87335989 +1 114.8492620 +1 120.0874117 +1 4 3 6
C 1.87286844 +1 114.7454448 +1 -179.9879904 +1 5 3 2
C 1.87275503 +1 114.7597483 +1 -120.1184950 +1 5 3 8
I 2.57603217 +1 119.9790037 +1 89.8132965 +1 3 2 5
C 1.87393639 +1 114.7110183 +1 119.9220530 +1 4 3 7
C 1.87331464 +1 114.5875932 +1 -119.9194100 +1 5 3 9
H 1.11688249 +1 112.2440393 +1 59.8842487 +1 6 4 3
H 1.11685290 +1 112.2629654 +1 -119.2019449 +1 6 4 13
H 1.11171724 +1 111.5698066 +1 -120.3976098 +1 6 4 14
H 1.11687141 +1 112.2585898 +1 -60.5364828 +1 7 4 3
H 1.11699905 +1 112.2318636 +1 119.2124572 +1 7 4 16
H 1.11171934 +1 111.5895608 +1 120.3888973 +1 7 4 17
H 1.11176236 +1 111.5881262 +1 179.3865775 +1 8 5 3
H 1.11700079 +1 112.2402003 +1 -120.3642611 +1 8 5 19
H 1.11689354 +1 112.2435091 +1 -119.1714971 +1 8 5 20
H 1.11175958 +1 111.5966395 +1 -179.0449768 +1 9 5 3
H 1.11708120 +1 112.2113466 +1 120.3248236 +1 9 5 22
H 1.11685299 +1 112.2591483 +1 119.1504023 +1 9 5 23
H 1.11684736 +1 112.2746900 +1 59.1521430 +1 11 4 3
H 1.11167152 +1 111.5759616 +1 120.4229637 +1 11 4 25
H 1.11685674 +1 112.2556168 +1 120.4315502 +1 11 4 26
H 1.11178279 +1 111.5653799 +1 -179.9614566 +1 12 5 3
H 1.11688983 +1 112.2417918 +1 120.3446551 +1 12 5 28
H 1.11683807 +1 112.2691839 +1 119.1945308 +1 12 5 29