Accuracy

Ru(III)O6 (ACACRU) r   5043 Ru(III)O6 (ACACRU) (Geo)

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    #  Species Formula
  5033 Ruthenium pentacarbonyl (Geo)C5O5Ru
  5034 Ruthenium pentacarbonylC5O5Ru
  5035 Ru(II)(H2O)6(2+) (BONPEZ) (Geo)H12O6Ru
  5036 Ru(II)(H2O)6(2+) (BONPEZ)H12O6Ru
  5037 Ru(II)(H2O)6H12O6Ru
  5038 Ru(II)(H2O)6 (Geo)H12O6Ru
  5039 Ru(CO)3(H2O)3(2+) (GOZYOJ01) (Geo)C3H6O6Ru
  5040 Ru(CO)3(H2O)3(2+) (GOZYOJ01)C3H6O6Ru
  5041 Ru(Acac)2.2H2OC10H18O6Ru
  5042 Ru(Acac)2.2H2O (Geo)C10H18O6Ru
  5043 Ru(III)O6 (ACACRU) (Geo) C15H21O6Ru
  5044 Ru(III)O6 (ACACRU)C15H21O6Ru
  5045 Ru(C4H4N2COO)2(H2O)2C10H10N4O6Ru
  5046 Ru(C4H4N2COO)2(H2O)2 (Geo)C10H10N4O6Ru
  5047 Ru(NO2)4(CO)(H2O)(2+) (ILEVOK) (Geo)CH2N4O10Ru
  5048 Ru(III)(Ox)3(3-) (DUKNOM) (Geo)C6O12Ru
  5049 Ru(III)(Ox)3(3-) (DUKNOM)C6O12Ru
  5050 Ruthenium(I) fluoride (Geo)FRu
  5051 Ruthenium(I) fluorideFRu
  5052 Ruthenium(IV) oxide difluoride (Geo)OF2Ru
  5053 Ruthenium(IV) oxide difluorideOF2Ru


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF SEXTET PM7
Ru(III)O6 (ACACRU)
 <Ru-O> <><O-Ru-O> GR=CCDC
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.00952000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.17508728 +1   92.6283350 +1    0.0000000 +0     1     2     0
  C     2.44729841 +1  118.7538546 +1  142.5466319 +1     1     2     3
  C     1.50003528 +1  132.0804242 +1 -127.9292759 +1     4     1     2
  C     1.24380276 +1  120.2975309 +1   -6.6642457 +1     3     1     2
  C     1.50752374 +1  115.5402219 +1 -173.8679496 +1     6     3     1
  C     1.41533521 +1  126.1188841 +1  179.9107770 +1     6     3     7
  C     3.27223090 +1  150.9808038 +1 -120.9333278 +1     1     2     4
  C     1.50492013 +1  134.4933907 +1 -133.8890311 +1     9     1     2
  C     1.38647663 +1  103.5844528 +1  175.6852015 +1     9     1    10
  C     1.41984644 +1  120.3106531 +1    2.9315584 +1    11     9     1
  C     1.51448201 +1  118.1901056 +1 -171.9608895 +1    12    11     9
  C     1.26710019 +1  124.4557942 +1    4.7592631 +1     2     1     3
  C     1.50578242 +1  114.0872386 +1  177.8089058 +1    14     2     1
  O     2.25182664 +1   67.4117637 +1  174.1964684 +1     1     2     9
  O     1.26613979 +1   64.7827895 +1 -104.3962707 +1     4     1     5
  O     1.25787199 +1   19.5668781 +1  170.9807963 +1     9     1    11
  O     1.23212987 +1  124.1548275 +1 -179.1968925 +1    12    11    13
  H     2.55681126 +1  138.1130261 +1  -41.2851024 +1    16     1     2
  H     1.78083871 +1   95.7507975 +1  -76.3689403 +1    20    16     2
  H     1.76966686 +1   79.3228828 +1   58.1361145 +1    20    16    21
  H     2.15842803 +1   95.6107638 +1 -151.9015149 +1     4     1    17
  H     1.09891257 +1  111.4778794 +1 -102.2908384 +1     5     4     1
  H     1.09380737 +1  112.7171908 +1 -122.9304760 +1     5     4    24
  H     1.10744571 +1  108.5057130 +1 -119.5075197 +1     5     4    25
  H     1.09758259 +1  111.1564925 +1  119.0103468 +1     7     6     3
  H     1.10120208 +1  111.1539183 +1 -119.8782649 +1     7     6    27
  H     1.09721269 +1  111.1307800 +1 -119.7874152 +1     7     6    28
  H     1.09167460 +1  114.4011538 +1  177.9872109 +1     8     6     3
  H     1.09761648 +1  110.3386594 +1   99.2900409 +1    10     9     1
  H     1.09519923 +1  111.6732928 +1  120.2772426 +1    10     9    31
  H     1.10142882 +1  110.9065120 +1  120.7905729 +1    10     9    32
  H     1.07548876 +1  120.3071553 +1 -177.6369476 +1    11     9    12
  H     1.09526060 +1  110.6127870 +1   59.5944570 +1    13    12    11
  H     1.09685729 +1  111.0979949 +1  120.0544486 +1    13    12    35
  H     1.09484601 +1  110.8772970 +1  120.2818325 +1    13    12    36
  H     1.09724802 +1  111.8485612 +1 -136.0005933 +1    15    14     2
  H     1.09879445 +1  110.5658491 +1 -120.1484299 +1    15    14    38
  H     1.10080603 +1  111.2917157 +1 -119.4593075 +1    15    14    39
  C     1.26134035 +1   90.1756406 +1    7.7762739 +1    16     1    19
  C     1.10164354 +1   36.4618977 +1  -66.1176856 +1    22    20    16
  C     1.07923439 +1   34.7179653 +1   52.1936385 +1    23     4     1