C33H27IrN3-1
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fac-tris(2-phenylpyridine) iridium(III)
, fac-Ir(ppy)3
Structure
GED
Experimental rh1 structure <bib id="BergerEJIC2010" />:
<jmol>
<jmolApplet> <inlineContents>mol OpenBabel01301316463D
0
61 69 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 -0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 2.1571 0.0009 0.0568 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 1.2526 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 1.4457 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 0.3198 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3668 -0.9563 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9845 -1.0746 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 1.9966 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 2.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 3.7021 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2393 4.7481 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 4.3985 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 3.0708 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5517 2.4828 -0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0497 0.4389 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 -1.8737 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -2.0870 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 3.9443 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 5.8253 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8872 5.2196 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6489 2.8502 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 0.1229 2.1249 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 0.3453 2.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0757 0.5319 3.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 0.4869 4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 0.2617 4.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5661 0.0852 3.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0132 0.2787 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 0.3697 1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 0.4779 1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8637 0.5012 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2963 0.4118 -0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9187 0.3037 -1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 0.7130 4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 0.6328 5.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 0.2237 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -0.0991 2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4055 0.5478 2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9786 0.5880 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 0.4275 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 0.2349 -2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -2.1256 -0.2293 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 -2.5508 -1.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5955 -3.8864 -1.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 -4.7969 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -4.3766 0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 -3.0404 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 -0.1697 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 -1.5023 -2.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0128 -1.7726 -3.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2478 -0.7728 -4.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3813 0.5311 -4.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 0.8355 -2.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 -2.8368 -4.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 -1.0025 -5.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5725 1.3680 -5.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4031 1.9060 -2.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 -4.2121 -2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 -5.8779 -1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -5.1083 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 -2.6597 1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 16 1 0 0 0 0 6 7 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 1 1 0 0 0 0 8 9 1 0 0 0 0 9 3 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 34 1 0 0 0 0 24 25 1 0 0 0 0 25 35 1 0 0 0 0 26 25 1 0 0 0 0 26 36 1 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 23 1 0 0 0 0 30 38 1 0 0 0 0 31 39 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 33 28 1 0 0 0 0 37 27 1 0 0 0 0 40 32 1 0 0 0 0 41 33 1 0 0 0 0 42 1 1 0 0 0 0 42 47 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 60 1 0 0 0 0 47 61 1 0 0 0 0 48 1 1 0 0 0 0 49 48 1 0 0 0 0 49 43 1 0 0 0 0 50 49 1 0 0 0 0 51 52 1 0 0 0 0 51 50 1 0 0 0 0 52 53 1 0 0 0 0 53 57 1 0 0 0 0 53 48 1 0 0 0 0 54 50 1 0 0 0 0 55 51 1 0 0 0 0 56 52 1 0 0 0 0 58 44 1 0 0 0 0 59 45 1 0 0 0 0 </inlineContents> </jmolApplet>
</jmol>