Accuracy
Mn(II)2Cl6O4(=) (IPRAMN01) r
3310 Mn(II)2Cl6O4(=) (IPRAMN01) (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 CHARGE=-2 MS=5 PULAY PM7
Mn(II)2Cl6O4(=) (IPRAMN01)
<Mn-Mn> <Mn-Cl><Cl-Mn-Mn> <><><> <Mn-O> GR=CCDC
Mn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Mn 3.73975000 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.44470200 +1 131.6091920 +1 0.0000000 +0 1 2 0
Cl 2.30121098 +1 138.7108720 +1 -161.1828558 +1 1 2 3
O 2.18637200 +1 88.2782115 +1 76.8822286 +1 1 2 4
O 4.98870886 +1 64.3136733 +1 -178.4066436 +1 1 2 5
Cl 5.59913488 +1 39.2103470 +1 23.9186295 +1 2 1 3
Cl 6.50906826 +1 31.0926059 +1 57.0339969 +1 1 2 6
Cl 2.21794514 +1 105.9465643 +1 -107.3412517 +1 2 1 7
Cl 2.22698383 +1 83.4151252 +1 169.6304311 +1 2 1 9
O 1.80946488 +1 18.6703612 +1 -127.2749358 +1 2 1 10
O 1.84261962 +1 149.2803994 +1 -155.6964152 +1 2 1 11
H 1.00367281 +1 93.0837477 +1 62.8910911 +1 5 1 2
H 1.00609859 +1 86.7377543 +1 102.1809557 +1 5 1 13
H 0.96475891 +1 0.0052528 +1 -86.0248710 +1 6 1 2
H 0.96026515 +1 103.4920344 +1 -99.1561603 +1 6 1 15
H 1.11432050 +1 73.7492703 +1 127.1619384 +1 11 2 1
H 1.49553905 +1 134.6275814 +1 155.1152763 +1 11 2 17
H 1.01944883 +1 88.8518710 +1 -28.5830943 +1 12 2 1
H 1.37219699 +1 105.8571564 +1 99.2097808 +1 12 2 19