Accuracy

Ni(III)I3P2 (GAPYAX) r   6151 Ni(III)I3P2 (GAPYAX) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  6141 Phosphorus triiodide (Geo)PI3
  6142 Me3PI3(+) (HEDGIG) (Geo)CH3PI3
  6143 C2PI (BOCROB) (Geo)C10H18P3I3
  6144 Scandium triiodideScI3
  6145 Scandium(III) triiodide (Geo)ScI3
  6146 Titanium triiodideTiI3
  6147 Vanadium(III) triiodideVI3
  6148 Vanadium(III) triiodide (Geo)VI3
  6149 Cobalt triiodideCoI3
  6150 Cobalt triiodide (Geo)CoI3
  6151 Ni(III)I3P2 (GAPYAX) (Geo) C6H18P2NiI3
  6152 Gallium triiodide (Geo)GaI3
  6153 Gallium triiodideGaI3
  6154 GeCI3 (CUDKIV) (Geo)CH3GeI3
  6155 GeCI3 (CUDKIV)CH3GeI3
  6156 GeCI3 (BAFNIG) (Geo)C10H15GeI3
  6157 GeCI3 (BAFNIG)C10H15GeI3
  6158 Arsenic triiodide (Geo)AsI3
  6159 Yttrium(III) triiodide (Geo)YI3
  6160 Yttrium(III) triiodideYI3
  6161 Zirconium triiodideZrI3


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