Accuracy
Mo(VI)C4O2 (ACESIK) r
4811 Mo(VI)C4O2 (ACESIK) (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)
PM7
Mo(VI)C4O2 (ACESIK)
<Mo-C> <Mo-O> <O-Mo-C> GR=CCDC
Mo 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.13436600 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.85922000 +1 91.8463870 +1 0.0000000 +0 1 2 0
H 1.10473379 +1 93.7217697 +1 51.4779953 +1 2 1 3
C 2.20640534 +1 73.1594879 +1 127.5723649 +1 1 2 3
H 1.08321802 +1 104.8050810 +1 -60.5271240 +1 5 1 2
H 1.07911846 +1 115.5377780 +1 -120.3160157 +1 5 1 6
C 2.19477086 +1 129.4914831 +1 -52.1684574 +1 1 2 5
H 1.08682245 +1 102.0100650 +1 -142.4997685 +1 8 1 2
H 1.07772542 +1 119.7767227 +1 -121.8345632 +1 8 1 9
H 1.08739806 +1 101.6332206 +1 -122.2422337 +1 8 1 10
C 1.38318120 +1 153.1758149 +1 179.6222700 +1 3 1 2
H 1.09877310 +1 108.4751019 +1 -88.2858784 +1 12 3 1
H 1.09972442 +1 106.2345409 +1 -119.1177254 +1 12 3 13
H 1.09709700 +1 109.7741416 +1 -119.6451517 +1 12 3 14
H 1.08486273 +1 115.7175829 +1 -114.6785989 +1 2 1 4
H 1.08272628 +1 105.6029046 +1 -120.6344670 +1 5 1 7
C 2.19233514 +1 128.7165683 +1 105.7792157 +1 1 2 8
H 1.08613025 +1 102.5933837 +1 141.9505391 +1 18 1 2
H 1.07713136 +1 120.0890796 +1 122.6141433 +1 18 1 19
H 1.08832538 +1 100.4743222 +1 121.5776955 +1 18 1 20
O 1.89977734 +1 92.1864007 +1 75.4871095 +1 1 2 18
C 1.38160054 +1 149.2835946 +1 -178.5952854 +1 22 1 2
H 1.09875389 +1 108.7290040 +1 86.7624952 +1 23 22 1
H 1.09987931 +1 106.1315851 +1 118.9731380 +1 23 22 24
H 1.09692108 +1 110.0900607 +1 119.5767785 +1 23 22 25
H 1.08613407 +1 114.0581927 +1 -131.3258877 +1 2 1 16