Accuracy
Pd(II)N4 (BETWEC) r
5206 Pd(II)N4 (BETWEC) (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)
UHF PM7
Pd(II)N4 (BETWEC)
<Pd-N> <> <N-Pd-N> GR=CCDC
Pd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.95950100 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.09914572 +1 79.3067280 +1 0.0000000 +0 1 2 0
N 2.46303072 +1 149.6851191 +1 -7.1841908 +1 2 1 3
N 2.40275491 +1 137.8494069 +1 17.1800467 +1 3 1 2
O 1.34357406 +1 119.6223144 +1 -175.4461606 +1 2 1 4
O 1.19137794 +1 132.8289323 +1 172.1559086 +1 3 1 5
C 1.31969223 +1 123.1843998 +1 179.6868505 +1 2 1 6
C 1.51589725 +1 111.4025590 +1 178.2066564 +1 3 1 7
N 2.13036104 +1 108.2707448 +1 -178.8846422 +1 1 3 2
N 2.13169397 +1 100.7253563 +1 177.9051420 +1 1 2 8
O 1.38986578 +1 122.3841255 +1 3.8179542 +1 10 1 3
C 1.32701514 +1 121.8199438 +1 172.5320372 +1 10 1 12
O 1.26493434 +1 117.7615840 +1 1.4367678 +1 11 1 2
C 1.32962654 +1 121.2891204 +1 -175.9240143 +1 11 1 14
N 1.37404831 +1 127.0282303 +1 -179.3023770 +1 13 10 1
N 1.42447991 +1 128.9283145 +1 174.4129598 +1 15 11 1
H 1.01151487 +1 120.9717116 +1 87.0552876 +1 4 2 1
H 1.01590474 +1 88.4102608 +1 112.5705144 +1 4 2 18
H 1.01020098 +1 154.9246496 +1 -13.8418247 +1 5 3 1
H 1.12304717 +1 101.8363994 +1 2.0715735 +1 6 2 1
H 1.01770975 +1 99.9044282 +1 -3.1050974 +1 12 10 1
H 1.00005474 +1 119.4194983 +1 19.4004717 +1 16 13 10
H 1.00882747 +1 116.8769582 +1 151.1566079 +1 16 13 23
H 1.01657499 +1 111.0431167 +1 -42.2882167 +1 17 15 11
H 1.01547102 +1 111.3748946 +1 120.6635528 +1 17 15 25