Accuracy

V(IV)ON4 (CAKMAC10) r   3032 V(IV)ON4 (CAKMAC10) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3022 V(II)(NH3)6 (Geo)H18N6V
  3023 V(IV)(CN)6 2T2gC6N6V
  3024 V(II)N6(2+) (BEQQIX) (Geo)C12H18N6V
  3025 V(II)N6(2+) (BEQQIX)C12H18N6V
  3026 V(0)N6 (DPYRDV) (Geo)C30H24N6V
  3027 V(0)N6 (DPYRDV)C30H24N6V
  3028 Vanadium oxideOV
  3029 Vanadium(II) oxide (Geo)OV
  3030 VC11O (BEYRIG) (Geo)C11H12OV
  3031 VC11O (BEYRIG)C11H12OV
  3032 V(IV)ON4 (CAKMAC10) (Geo) C32H34N4OV
  3033 Vanadium(IV) oxide (Geo)O2V
  3034 VC12(+) (CCPZRB) (Geo)C12H10O2V
  3035 VC12(+) (CCPZRB)C12H10O2V
  3036 Methyl vanadium(V) oxide dihydroxide (Geo)CH5O3V
  3037 Vanadium(V) tri-ethoxide oxideC6H15O4V
  3038 VC10(+) (BOBHIJ) (Geo)C14H14O4V
  3039 VC10(+) (BOBHIJ)C14H14O4V
  3040 V(V)O4N2(-) (BALLIJ) (Geo)C18H12N2O4V
  3041 V(V)O4N2(-) (BALLIJ)C18H12N2O4V
  3042 V(IV)O5 (ACACVO) (Geo)C10H14O5V


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PM7
V(IV)ON4 (CAKMAC10)
 <V=O> <V-N><O-V-N> GR=CCDC
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.58240400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.02556500 +1  105.9483090 +1    0.0000000 +0     1     2     0
  N    -0.44874490 +1   -0.1272458 +1   -2.0122059 +1     0     0     0
  N    -0.42824036 +1   -2.0011588 +1    0.2442870 +1     0     0     0
  N    -0.39759514 +1    0.1711957 +1    2.0765352 +1     0     0     0
  C    -0.63981791 +1    2.6047558 +1   -1.2138172 +1     0     0     0
  C    -0.66098783 +1    2.2312439 +1   -2.5618560 +1     0     0     0
  C    -0.54717731 +1    0.9050707 +1   -2.9753123 +1     0     0     0
  C    -0.48730502 +1    0.3377078 +1   -4.2936241 +1     0     0     0
  C    -0.35974964 +1   -1.0416151 +1   -4.1443058 +1     0     0     0
  C    -0.34584162 +1   -1.3270284 +1   -2.7303098 +1     0     0     0
  C    -0.29871254 +1   -2.6120664 +1   -2.1732362 +1     0     0     0
  C    -0.35844851 +1   -2.9302231 +1   -0.8407546 +1     0     0     0
  C    -0.41256010 +1   -4.2877916 +1   -0.2874415 +1     0     0     0
  C    -0.52211680 +1   -4.1842514 +1    1.0715542 +1     0     0     0
  C    -0.51849817 +1   -2.7409521 +1    1.4038581 +1     0     0     0
  C    -0.56802884 +1   -2.2169449 +1    2.6841401 +1     0     0     0
  C    -0.48132402 +1   -0.8574610 +1    2.9800103 +1     0     0     0
  C    -0.46392745 +1   -0.3196274 +1    4.3600301 +1     0     0     0
  C    -0.36803600 +1    1.0410804 +1    4.2600787 +1     0     0     0
  C    -0.36183816 +1    1.3846656 +1    2.8377310 +1     0     0     0
  C    -0.40291468 +1    2.6652900 +1    2.3306568 +1     0     0     0
  C    -0.50562449 +1    2.9662250 +1    0.9720757 +1     0     0     0
  C    -0.58237268 +1    4.2723885 +1    0.3323784 +1     0     0     0
  C    -0.67120864 +1    4.0392890 +1   -1.0254375 +1     0     0     0
  C    -0.75515314 +1    4.6963432 +1   -2.3510054 +1     0     0     0
  C    -0.76861088 +1    3.4966495 +1   -3.3763064 +1     0     0     0
  C    -0.51228731 +1    1.0904171 +1   -5.5670433 +1     0     0     0
  C    -0.25572454 +1   -2.0590191 +1   -5.2055228 +1     0     0     0
  C    -0.36316424 +1   -5.5030821 +1   -1.1178432 +1     0     0     0
  C    -0.63424637 +1   -5.2554398 +1    2.0826083 +1     0     0     0
  C    -0.53960701 +1   -1.1677424 +1    5.5589934 +1     0     0     0
  C    -0.30173499 +1    2.0387990 +1    5.3509515 +1     0     0     0
  C    -0.54751775 +1    5.5567134 +1    1.0496369 +1     0     0     0
  C     0.91287705 +1    1.4935227 +1   -5.9661752 +1     0     0     0
  C    -2.08997332 +1   -5.4124260 +1    2.5369804 +1     0     0     0
  C    -1.69124161 +1    2.6283056 +1    5.6151907 +1     0     0     0
  H    -0.23210042 +1   -3.4429168 +1   -2.8880556 +1     0     0     0
  H    -0.65899480 +1   -2.9108891 +1    3.5179462 +1     0     0     0
  H    -0.37223759 +1    3.5051434 +1    3.0315441 +1     0     0     0
  H    -1.66453446 +1    5.3113104 +1   -2.4557351 +1     0     0     0
  H     0.10464268 +1    5.3612766 +1   -2.5401372 +1     0     0     0
  H     0.07112666 +1    3.5860086 +1   -4.0859006 +1     0     0     0
  H    -1.70102524 +1    3.5084398 +1   -3.9656546 +1     0     0     0
  H    -0.97122624 +1    0.4807984 +1   -6.3733774 +1     0     0     0
  H    -1.15686761 +1    1.9889017 +1   -5.4854479 +1     0     0     0
  H     0.63564751 +1   -2.6913663 +1   -5.0735464 +1     0     0     0
  H    -0.18164244 +1   -1.6090899 +1   -6.2061973 +1     0     0     0
  H    -1.13494468 +1   -2.7218648 +1   -5.2132460 +1     0     0     0
  H    -1.20100463 +1   -5.5370535 +1   -1.8331371 +1     0     0     0
  H    -0.41952074 +1   -6.4240451 +1   -0.5185846 +1     0     0     0
  H     0.56950699 +1   -5.5552376 +1   -1.7026742 +1     0     0     0
  H     0.01447686 +1   -5.0333891 +1    2.9579802 +1     0     0     0
  H    -0.25919772 +1   -6.2203512 +1    1.6822663 +1     0     0     0
  H    -1.47037133 +1   -1.7582865 +1    5.5750175 +1     0     0     0
  H    -0.51529097 +1   -0.5826977 +1    6.4895545 +1     0     0     0
  H     0.29867476 +1   -1.8823009 +1    5.6012508 +1     0     0     0
  H     0.41649045 +1    2.8483625 +1    5.0992032 +1     0     0     0
  H     0.09598703 +1    1.5798478 +1    6.2805154 +1     0     0     0
  H    -1.38988872 +1    5.6510038 +1    1.7521483 +1     0     0     0
  H    -0.60088460 +1    6.4134715 +1    0.3626996 +1     0     0     0
  H     0.38063690 +1    5.6668302 +1    1.6326343 +1     0     0     0
  H     0.91906484 +1    2.0953050 +1   -6.8789133 +1     0     0     0
  H     1.53649752 +1    0.6083123 +1   -6.1377508 +1     0     0     0
  H     1.39699436 +1    2.0730879 +1   -5.1700671 +1     0     0     0
  H    -2.18683353 +1   -6.1847235 +1    3.3058774 +1     0     0     0
  H    -2.73852096 +1   -5.6887489 +1    1.6975829 +1     0     0     0
  H    -2.47952750 +1   -4.4731046 +1    2.9495247 +1     0     0     0
  H    -1.65930568 +1    3.3885959 +1    6.4016756 +1     0     0     0
  H    -2.39709698 +1    1.8496739 +1    5.9283016 +1     0     0     0
  H    -2.10579732 +1    3.0928401 +1    4.7117837 +1     0     0     0