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Os(C6H6)CNCl (BEDYUF) r   7559 Os(C6H6)CNCl (BEDYUF) (Geo)

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    #  Species Formula
  7549 Osmium di-acetylacetonate dihydrate (Geo)C10H18O6Os
  7550 Osmium di-acetylacetonate dihydrateC10H18O6Os
  7551 OsO4N2 (BABWAC) (Geo)C4H8N2O6Os
  7552 Osmium(IV) oxide difluorideOF2Os
  7553 Osmium(IV) oxide difluoride (Geo)OF2Os
  7554 Osmium(III) trifluoride (Geo)F3Os
  7555 Os(III)F6 d5 (Geo)F6Os
  7556 Os(CO)4(PEt3)C10H15O4POs
  7557 Os(CO)4(PEt3) (Geo)C10H15O4POs
  7558 Os(Cp)NP2(2+) (BELNOV) (Geo)C11H23NOP2Os
  7559 Os(C6H6)CNCl (BEDYUF) (Geo) C17H14NClOs
  7560 [Os(NH3)5Cl]++ (Geo)H15N5ClOs
  7561 Osmium(IV) oxide dichlorideOCl2Os
  7562 Osmium(IV) oxide dichloride (Geo)OCl2Os
  7563 Osmium(III) trichlorideCl3Os
  7564 cis-tetrachlorodifluoroosmate(v) OsCl4F2(-) (Geo)F2Cl4Os
  7565 Os(III)Cl6 d5 (Geo)Cl6Os
  7566 Osmium(IV) oxide dibromideOBr2Os
  7567 Osmium(IV) oxide dibromide (Geo)OBr2Os
  7568 Osmium(III) tribromideBr3Os
  7569 Os(CO)4F2 (BEDKEB) (Geo)C4O4F12Sb2Os


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
Os(C6H6)CNCl (BEDYUF)
 <Os-Cl> <Os-N><N-Os-Cl> <Os-C><><> <Os-C> GR=CCDC
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.42569300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.08630900 +1   86.5294750 +1    0.0000000 +0     1     2     0
  C     2.06865900 +1   81.3806448 +1   79.2759865 +1     1     2     3
  C     2.19451700 +1   97.8111218 +1  111.4055239 +1     1     2     4
  C     2.81203596 +1  123.3282445 +1 -175.7645937 +1     3     2     1
  C     1.38973576 +1   59.8223155 +1   -1.1809959 +1     6     3     4
  C     1.38613808 +1  116.3212602 +1   -6.5594718 +1     3     1     4
  C     1.40999385 +1  114.5990455 +1  -82.5947025 +1     4     1     2
  C     1.39688025 +1  121.0132914 +1  175.9633283 +1     9     4     1
  C     1.39067983 +1  119.4645153 +1    0.6345108 +1    10     9     4
  C     1.39497558 +1  119.9239616 +1   -0.1887763 +1    11    10     9
  C     1.39448487 +1  126.5573378 +1  176.4223119 +1     4     1     9
  C     1.45756967 +1  110.2410927 +1   95.2229769 +1     5     1     2
  C     1.38727523 +1  120.3316357 +1   50.2369785 +1    14     5     1
  C     1.39573844 +1  120.8695585 +1   -4.1956915 +1    15    14     5
  C     1.46678257 +1  120.2175131 +1    3.6185037 +1    16    15    14
  C     1.45853647 +1   60.0979494 +1  111.9664717 +1     5     1    14
  H     2.10688451 +1   98.0635464 +1 -177.5269205 +1     3     1     8
  H     2.16452549 +1   84.9305345 +1  179.4930845 +1     6     3     7
  H     1.09183934 +1   94.8724596 +1 -179.2672102 +1     6    20     3
  H     1.08998290 +1  120.6434774 +1 -178.9064143 +1     7     6     3
  H     1.08805771 +1  120.6306735 +1 -179.6308539 +1    10     9    11
  H     1.08756273 +1  120.0033227 +1 -179.5066107 +1    11    10    12
  H     1.08959477 +1  119.7381399 +1 -179.4918437 +1    12    11    10
  H     1.09045569 +1  120.6868848 +1    2.4752934 +1    13     4     1
  H     1.09707799 +1  121.7031962 +1  108.3076482 +1     5     1    18
  H     1.08176711 +1  117.6347262 +1  178.9855115 +1    14     5    15
  H     1.08852624 +1  119.8160701 +1 -179.8115756 +1    15    14    16
  H     1.07812558 +1  121.9389479 +1  177.7150105 +1    16    15    17
  H     1.10602549 +1  113.0095779 +1  158.2184548 +1    17    16    15
  H     1.10217522 +1  122.5215215 +1  134.2143532 +1    18     5     1
  C     1.10102542 +1   35.2587499 +1  176.2544815 +1    19     3     1
  C     1.08876068 +1   33.5546383 +1   -0.3023017 +1    20     6     3