Accuracy
Co(III)N5Cl(2plus) (ADETCO) r
3489 Co(III)N5Cl(2+) (ADETCO) (Geo)
(Previous)
(Back)
(Next)
REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
CHARGE=2 UHF PM7
Co(III)N5Cl(2+) (ADETCO)
<Co-Cl> <Co-N(H3)><N-Co-Cl> <Co-N(C2H)><N-Co-N><> <Co-N(H2C)> GR=CCDC
Co 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.27983400 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.97403100 +1 87.7128930 +1 0.0000000 +0 1 2 0
N 1.94295800 +1 94.3050150 +1 -179.4639027 +1 1 2 3
N 1.99363300 +1 86.3000100 +1 -87.6787336 +1 1 2 4
N 2.04227029 +1 86.2607893 +1 174.5524213 +1 1 2 5
N 2.06598361 +1 93.6303399 +1 -175.6350198 +1 1 6 2
C 1.52003814 +1 108.1399278 +1 95.8325927 +1 5 1 2
C 1.51373377 +1 106.3391627 +1 -60.4737570 +1 4 1 2
C 1.51406975 +1 106.7176648 +1 120.4685445 +1 4 1 9
C 1.51614329 +1 107.5746337 +1 -95.7320421 +1 6 1 2
H 1.04266435 +1 107.1948822 +1 -8.1629227 +1 3 1 2
H 1.02317841 +1 113.9532503 +1 117.3449700 +1 3 1 12
H 1.02189558 +1 114.7161896 +1 124.2727422 +1 3 1 13
H 1.03922884 +1 113.9785114 +1 119.9241990 +1 4 1 10
H 1.04759556 +1 104.9462081 +1 -115.8623234 +1 5 1 8
H 1.02694947 +1 117.8748717 +1 -118.6956716 +1 5 1 16
H 1.04343156 +1 104.4404387 +1 115.8329933 +1 6 1 11
H 1.02444269 +1 117.8174978 +1 118.7774151 +1 6 1 18
H 1.02096915 +1 111.0680856 +1 130.7283257 +1 7 1 4
H 1.02001556 +1 112.3653061 +1 -119.8173324 +1 7 1 20
H 1.02056910 +1 111.1489258 +1 -120.3513146 +1 7 1 21
H 1.12248664 +1 110.8656000 +1 -148.8780600 +1 8 5 1
H 1.11259169 +1 109.1684167 +1 -117.1410751 +1 8 5 23
H 1.12297829 +1 109.3997412 +1 73.3454921 +1 9 4 1
H 1.11705083 +1 111.9682954 +1 117.4729992 +1 9 4 25
H 1.12289735 +1 109.3394383 +1 -72.3718684 +1 10 4 1
H 1.11698532 +1 111.8635738 +1 -117.4246876 +1 10 4 27
H 1.12266922 +1 110.9880205 +1 148.8913487 +1 11 6 1
H 1.11257757 +1 109.2258003 +1 117.1438868 +1 11 6 29