Accuracy
in(iii)i2n2c (dacjia) r
6117 In(III)I2N2C (DACJIA) (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
In(III)I2N2C (DACJIA)
<In-I> <In-I><I-In-I> <In-N><><> <In-C> GR=CCDC
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.91935600 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.75019200 +1 93.3168450 +1 0.0000000 +0 1 2 0
N 2.44323400 +1 159.4879924 +1 111.5034924 +1 1 2 3
C 2.16550500 +1 97.5199878 +1 136.2184866 +1 1 2 4
C 1.49940015 +1 108.1617680 +1 -9.9463303 +1 4 1 2
C 1.53843532 +1 110.1469828 +1 47.9286794 +1 6 4 1
C 1.52373295 +1 114.3009842 +1 72.8227121 +1 5 1 2
C 1.49752301 +1 110.8581802 +1 119.4857629 +1 4 1 6
C 1.49724795 +1 114.4386918 +1 120.5927336 +1 4 1 9
C 2.41097323 +1 144.5326307 +1 -43.2801438 +1 7 6 4
C 2.42010095 +1 60.4853176 +1 -65.2751600 +1 11 7 6
H 1.11554749 +1 108.8810463 +1 -121.0506203 +1 6 4 7
H 1.11189249 +1 112.0894928 +1 -116.8305951 +1 6 4 13
H 1.11281182 +1 109.2643546 +1 -140.7893088 +1 7 6 11
H 1.11340153 +1 110.1254297 +1 -115.6526743 +1 7 6 15
H 1.10314543 +1 106.8691679 +1 -121.3535956 +1 5 1 8
H 1.09793663 +1 109.5004871 +1 -114.9611031 +1 5 1 17
H 1.09733986 +1 110.6147071 +1 -177.1268035 +1 8 5 1
H 1.09596861 +1 112.7107443 +1 -119.8023233 +1 8 5 19
H 1.09948964 +1 112.3316656 +1 -121.2499403 +1 8 5 20
H 1.10096578 +1 111.1308661 +1 -51.0718639 +1 9 4 1
H 1.10070353 +1 113.0980645 +1 -121.5549159 +1 9 4 22
H 1.10671457 +1 109.7103554 +1 -119.9955282 +1 9 4 23
H 1.10365641 +1 111.1968893 +1 65.0808488 +1 10 4 1
H 1.10585206 +1 109.8515019 +1 -118.6387249 +1 10 4 25
H 1.10031498 +1 113.0704493 +1 -120.4947196 +1 10 4 26
H 1.10653045 +1 146.4774225 +1 18.9852247 +1 11 7 12
H 1.10067170 +1 87.6348273 +1 -117.2789284 +1 11 7 28
H 1.10191912 +1 96.1730848 +1 -108.2843058 +1 11 7 29
H 1.10188732 +1 147.0548741 +1 37.0330310 +1 12 11 7
H 1.10115515 +1 91.7005476 +1 -127.9259218 +1 12 11 31
H 1.10758415 +1 91.3149822 +1 -106.9822411 +1 12 11 32
N 1.50199817 +1 110.5706219 +1 -120.9375822 +1 7 6 16