Accuracy
Zr(IV)(Cp)2F2 (FDCPZR) r
4661 Zr(IV)(Cp)2F2 (FDCPZR) (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
Zr(IV)(Cp)2F2 (FDCPZR)
<Zr-F> <> <F-Zr-F> <Zr-C> GR=CCDC
Zr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.97434100 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.94993455 +1 96.2412830 +1 0.0000000 +0 1 2 0
C 2.51710600 +1 87.9394562 +1 87.1605802 +1 1 2 3
C 2.30580677 +1 62.7827221 +1 151.2866402 +1 4 1 2
C 2.54652174 +1 88.2391321 +1 -173.7788033 +1 1 2 4
C 1.42484321 +1 73.4134772 +1 172.3007756 +1 6 1 2
C 1.42481506 +1 73.4431149 +1 115.1942188 +1 6 1 7
C 1.42446078 +1 108.0863032 +1 65.1690761 +1 7 6 1
C 1.42445420 +1 108.1025813 +1 -65.1560009 +1 8 6 1
H 1.07693245 +1 121.3611344 +1 159.5781120 +1 4 1 5
H 2.23205831 +1 85.5917204 +1 102.3569165 +1 4 1 11
H 2.23438806 +1 94.7477678 +1 -83.0213821 +1 5 4 1
H 2.23539740 +1 58.8517116 +1 -174.9694652 +1 5 4 13
H 1.07360569 +1 161.2730223 +1 16.4749842 +1 5 4 14
H 1.07630708 +1 121.8751753 +1 122.4023377 +1 6 1 8
H 1.07619956 +1 125.6773898 +1 176.0399011 +1 7 6 9
H 1.07651132 +1 125.7081586 +1 -176.2330518 +1 8 6 10
H 1.07360826 +1 125.9255488 +1 172.7351293 +1 9 7 6
H 1.07362908 +1 125.9356596 +1 -172.9826306 +1 10 8 6
C 1.07652966 +1 31.2403933 +1 58.2113464 +1 12 4 1
C 1.07359699 +1 31.3368190 +1 6.5852437 +1 13 5 4
C 1.07635562 +1 30.9667707 +1 -2.5926245 +1 14 5 4