Accuracy
as(iii)as2c (asmeth) r
4037 As(III)As2C (ASMETH) (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
As(III)As2C (ASMETH)
<As-As> <><Al-As-As> <><><> <><><> <As-C> GR=CCDC
As 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
As 2.44039100 +1 0.0000000 +0 0.0000000 +0 1 0 0
As 2.52535125 +1 99.9939660 +1 0.0000000 +0 2 1 0
As 2.47662256 +1 107.2008735 +1 35.2732208 +1 3 2 1
As 2.49376783 +1 104.4412291 +1 -27.6227789 +1 4 3 2
C 1.95452800 +1 105.0411688 +1 86.7543009 +1 1 2 3
C 1.98585391 +1 104.5626769 +1 106.5865176 +1 2 1 3
C 1.98805375 +1 102.2105078 +1 -107.9629181 +1 3 2 4
C 1.98948165 +1 102.7076348 +1 107.3771933 +1 4 3 5
C 1.98660450 +1 104.3079062 +1 -104.0636579 +1 5 4 3
H 1.09970784 +1 116.8951363 +1 -59.6869510 +1 6 1 2
H 1.10532574 +1 110.4725366 +1 -121.1264173 +1 6 1 11
H 1.10575970 +1 111.1351362 +1 -117.2099299 +1 6 1 12
H 1.10319959 +1 110.3185480 +1 -171.5176318 +1 7 2 1
H 1.09835192 +1 117.1127701 +1 121.8295906 +1 7 2 14
H 1.10437377 +1 109.8489734 +1 121.0487802 +1 7 2 15
H 1.10433998 +1 109.7937142 +1 179.4196749 +1 8 3 2
H 1.09780982 +1 117.2544967 +1 -121.0871999 +1 8 3 17
H 1.10333707 +1 110.4111213 +1 -121.9396635 +1 8 3 18
H 1.10328698 +1 110.3431895 +1 65.3954743 +1 9 4 3
H 1.10372765 +1 109.8678571 +1 117.0606452 +1 9 4 20
H 1.09773406 +1 117.0303804 +1 121.1840830 +1 9 4 21
H 1.10335292 +1 110.4263046 +1 -64.9612852 +1 10 5 4
H 1.10239678 +1 110.3227076 +1 -117.3883041 +1 10 5 23
H 1.09772807 +1 116.2159438 +1 -121.4409153 +1 10 5 24