Accuracy
Ti(IV)Cp2F2 (VAJXEJ) r
4026 Ti(IV)Cp2F2 (VAJXEJ) (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
Ti(IV)Cp2F2 (VAJXEJ)
<Ti-C> <Ti-As><As-Ti-C> <Ti-F><F-Ti-C> GR=CCDC
Ti 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.36359200 +1 0.0000000 +0 0.0000000 +0 1 0 0
As 3.80428800 +1 84.8578200 +1 0.0000000 +0 1 2 0
F 2.00230500 +1 84.1078100 +1 104.3561374 +1 1 2 3
C -1.64435027 +1 -1.5615693 +1 0.5922133 +1 0 0 0
C -1.64295562 +1 -0.4982623 +1 1.5793162 +1 0 0 0
C -2.06958182 +1 0.7030230 +1 0.9265782 +1 0 0 0
F 0.17950923 +1 1.7965188 +1 -0.2308441 +1 0 0 0
F 0.59733879 +1 3.8196186 +1 -1.6424106 +1 0 0 0
F -1.31867899 +1 3.7168745 +1 -0.2494437 +1 0 0 0
F 0.05240211 +1 3.2246695 +1 1.5761748 +1 0 0 0
F 1.95926706 +1 3.3970612 +1 0.2378315 +1 0 0 0
F 0.45004252 +1 5.3957054 +1 0.3312749 +1 0 0 0
C 1.93353672 +1 0.3747320 +1 1.3179931 +1 0 0 0
C 1.19526804 +1 -0.7182248 +1 1.8750797 +1 0 0 0
C -2.06111883 +1 -1.0006506 +1 -0.6531332 +1 0 0 0
C -2.29432886 +1 0.4051034 +1 -0.4587982 +1 0 0 0
As 0.35326811 +1 0.4449311 +1 -3.6392473 +1 0 0 0
F 1.75608845 +1 1.0470207 +1 -2.9298989 +1 0 0 0
F -0.54709676 +1 1.5499581 +1 -2.7342874 +1 0 0 0
F -1.08019951 +1 -0.3709555 +1 -3.9871484 +1 0 0 0
F 1.21012657 +1 -0.9288792 +1 -4.0937300 +1 0 0 0
F 0.45722728 +1 1.2836254 +1 -5.0516598 +1 0 0 0
H 3.07091238 +1 0.5586844 +1 -0.6118725 +1 0 0 0
H 2.29522736 +1 -1.9866837 +1 -1.0489021 +1 0 0 0
H 0.95241073 +1 -2.8275904 +1 1.1304652 +1 0 0 0
H -1.59992008 +1 -2.6183881 +1 0.8228314 +1 0 0 0
H -1.61261750 +1 -0.6506485 +1 2.6511966 +1 0 0 0
H -2.35253984 +1 1.6271993 +1 1.4257703 +1 0 0 0
H 2.26879294 +1 1.2519183 +1 1.8672908 +1 0 0 0
H 0.93351687 +1 -0.8280282 +1 2.9202096 +1 0 0 0
H -2.32464533 +1 -1.5616418 +1 -1.5475881 +1 0 0 0
H -2.76494969 +1 1.0726259 +1 -1.1790563 +1 0 0 0
C 1.95623340 +1 -1.3604637 +1 -0.2264131 +1 0 0 0
C 1.21635934 +1 -1.8015036 +1 0.9104049 +1 0 0 0