Accuracy
be(ii)n3cl(plus) (valhew) r
2365 Be(II)N3Cl(+) (VALHEW) (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)
CHARGE=1 PM7
Be(II)N3Cl(+) (VALHEW)
<Be-N> <><N-Be-N> <Be-Cl><Cl-Be-N> GR=CCDC
Be 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.75489300 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.74042410 +1 109.8746290 +1 0.0000000 +0 1 2 0
Cl 1.99904600 +1 104.0696243 +1 115.0476193 +1 1 2 3
H 1.02845521 +1 111.3774305 +1 -67.9077267 +1 3 1 2
N 1.73537890 +1 121.9911402 +1 113.7297209 +1 1 2 4
H 1.03970822 +1 105.3161331 +1 -163.2976911 +1 6 1 2
C 1.50914560 +1 112.4118828 +1 -148.4760238 +1 2 1 3
H 1.11238249 +1 110.1195708 +1 82.2000909 +1 8 2 1
H 1.11076310 +1 109.9871889 +1 -116.2748496 +1 8 2 9
C 1.53706537 +1 106.3441521 +1 -120.9459686 +1 8 2 10
H 1.10534914 +1 111.1460725 +1 139.2688354 +1 11 8 2
H 1.10590155 +1 111.4429162 +1 117.0797955 +1 11 8 12
C 1.53875913 +1 106.3436539 +1 121.2288394 +1 11 8 13
H 1.10454320 +1 111.5534969 +1 122.0635908 +1 14 11 8
H 1.10527748 +1 111.1208753 +1 117.3433233 +1 14 11 15
C 1.50182901 +1 114.5015764 +1 -120.4849277 +1 2 1 8
H 1.11030173 +1 109.3590931 +1 35.0457949 +1 17 2 1
H 1.10617105 +1 110.7198028 +1 -118.5149974 +1 17 2 18
C 1.50880456 +1 110.9919232 +1 122.3835239 +1 3 1 5
H 1.11763421 +1 109.0238458 +1 32.9770572 +1 20 3 1
H 1.10413350 +1 110.6608113 +1 -119.0470821 +1 20 3 21
C 1.54019552 +1 106.3479983 +1 -122.3844125 +1 20 3 22
H 1.10396667 +1 111.7898661 +1 102.3526883 +1 23 20 3
H 1.10706452 +1 110.8429004 +1 117.6524515 +1 23 20 24
C 1.53915300 +1 105.9995051 +1 120.8859341 +1 23 20 25
H 1.10694197 +1 111.3249773 +1 -121.7814150 +1 26 23 20
H 1.10395075 +1 111.3577486 +1 -117.6901769 +1 26 23 27
C 1.50877214 +1 110.7620872 +1 115.4415458 +1 3 1 20
H 1.11755379 +1 109.0880448 +1 -34.0405751 +1 29 3 1
H 1.10373628 +1 110.6511469 +1 118.9122244 +1 29 3 30
C 1.50098493 +1 115.5163268 +1 -121.1942339 +1 6 1 7
H 1.10819590 +1 109.6220730 +1 -30.6397959 +1 32 6 1
H 1.10798632 +1 110.4495979 +1 117.9796170 +1 32 6 33
C 1.54158829 +1 106.7129973 +1 121.7893355 +1 32 6 34
H 1.10587345 +1 111.4007550 +1 -107.8177566 +1 35 32 6
H 1.10450980 +1 111.2590036 +1 -117.3240398 +1 35 32 36
C 1.53902905 +1 106.4301095 +1 -121.6259940 +1 35 32 37
H 1.10657868 +1 111.0782815 +1 -116.5325752 +1 38 35 32
H 1.10481013 +1 111.6596907 +1 -117.1949692 +1 38 35 39
C 1.50444692 +1 111.6597916 +1 -121.4816467 +1 6 1 32
H 1.11323473 +1 109.8872520 +1 -81.1787286 +1 41 6 1
H 1.10953407 +1 109.7444272 +1 117.2279289 +1 41 6 42
H 1.03395564 +1 106.8205162 +1 -121.2075619 +1 2 1 17