Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4100017 | CIF | C18 H24 O3 | P -1 | 9.932; 18.201; 8.7778 99.675; 90.281; 99.129 | 1543.7 | Journal of the American Chemical Society, 2005 |
| 4100018 | CIF | C23 H31 N O3 | P 21 21 21 | 6.0537; 17.481; 19.469 90; 90; 90 | 2060.3 | Xia, Wujiong; Yang, Chao; Patrick, Brian O.; Scheffer, John R.; Scott, Carl Journal of the American Chemical Society, 2005 |
| 4100019 | CIF | C22 H17 Fe N3 O | P 1 21/c 1 | 10.437; 18.322; 11.697 90; 121.391; 90 | 1909.38 | Liao, Yi; Kaminsky, Werner Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society, 2005 |
| 4100020 | CIF | C30 H25 Cl4 Fe N3 O S | P -1 | 10.003; 11.271; 14.935 70.166; 89.948; 76.818 | 1536.82 | Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society, 2005 |
| 4100021 | CIF | C27.2 H16.39 Cl0.39 F3 Fe N3 O | P -1 | 13.47; 14.161; 14.661 73.342; 64.348; 68.832 | 2322.4 | Liao, Yi; Robinson, Bruce; Kaminsky, Werner Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society, 2005 |
| 4100022 | CIF | C34 H22 Cl2 F3 Fe N3 O S | C 1 2/c 1 | 28.041; 15.294; 19.322 90; 131.96; 90 | 6161.9 | Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society, 2005 |
| 4100023 | CIF | C23 H33 B2 Cl2 F3 N4 O3 S | P 1 21 1 | 8.257; 8.37; 21.383 90; 100.054; 90 | 1455.1 | Journal of the American Chemical Society, 2005 |
| 4100024 | CIF | C40 H52 B2 N4 O5 W | P 1 21/n 1 | 12.506; 20.434; 16.308 90; 106.907; 90 | 3987.3 | Journal of the American Chemical Society, 2005 |
| 4100025 | CIF | C29 H46 B2 N4 | F d d 2 | 17.75; 41.914; 7.9239 90; 90; 90 | 5895.2 | Journal of the American Chemical Society, 2005 |
| 4100026 | CIF | C29 H47 N O4 | C 1 2 1 | 15.856; 9.4706; 20.2922 90; 112.441; 90 | 2816.4 | Palomo, Claudio; Oiarbide, Mikel; Kardak, Bharat G.; García, Jesús; Linden, Anthony α'-Hydoxy Enones as New Templates for Cu(II)-Catalyzed Enantioselective Pyrrole and Indole Friedel-Crafts Alkylations Journal of the American Chemical Society, 2005 |
| 4100027 | CIF | C50 H78 Sm2 | P 1 21/c 1 | 11.3456; 21.6734; 19.3685 90; 101.026; 90 | 4674.8 | Journal of the American Chemical Society, 2005 |
| 4100028 | CIF | C35 H36 Co O2 P S Si | P 1 21/n 1 | 9.978; 17.896; 18.049 90; 93.665; 90 | 3216.3 | Journal of the American Chemical Society, 2005 |
| 4100029 | CIF | C24 H24 Co2 S2 | C 1 2 1 | 17.381; 5.8345; 11.3055 90; 112.239; 90 | 1061.2 | Journal of the American Chemical Society, 2005 |
| 4100030 | CIF | C35 H36 Co O P S Si | P -1 | 9.0966; 10.7124; 17.936 74.952; 89.251; 75.278 | 1629.8 | Journal of the American Chemical Society, 2005 |
| 4100031 | CIF | C66 H86 N6 O10 S2 | C 1 c 1 | 20.4171; 16.487; 18.8953 90; 91.321; 90 | 6358.8 | Journal of the American Chemical Society, 2005 |
| 4100032 | CIF | C32 H39 Cl2 N3 O4 | P 1 21/n 1 | 9.537; 26.9572; 12.3589 90; 109.968; 90 | 2986.35 | Journal of the American Chemical Society, 2005 |
| 4100033 | CIF | C17 H10 Cl F4 N3 | P 1 21/n 1 | 13.958; 7.5579; 15.236 90; 114.6; 90 | 1461.4 | Journal of the American Chemical Society, 2005 |
| 4100034 | CIF | C17 H10 Cl F4 N3 | P -1 | 6.8075; 9.0631; 13.4888 70.863; 78.833; 75.604 | 755.8 | Journal of the American Chemical Society, 2005 |
| 4100035 | CIF | C19 H13 F4 N | P n m a | 7.5926; 12.408; 15.483 90; 90; 90 | 1458.7 | Journal of the American Chemical Society, 2005 |
| 4100036 | CIF | C18 H12 F4 N2 | P -1 | 7.711; 11.939; 15.819 91.697; 90.421; 98.628 | 1439.1 | Journal of the American Chemical Society, 2005 |
| 4100037 | CIF | C17 H13 F3 O5 S | P -1 | 8.546; 9.43; 11.165 73.016; 82.571; 81.014 | 846.6 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100038 | CIF | C20 H23 O6 P | P 21 21 21 | 10.033; 11.953; 16.295 90; 90; 90 | 1954.2 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100039 | CIF | C15 H12 Br2 O | P n m a | 7.334; 19.543; 9.082 90; 90; 90 | 1301.7 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100040 | CIF | C29 H31 F6 K O8 | P b c a | 13.91; 19.228; 23.515 90; 90; 90 | 6289.4 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100041 | CIF | C24 H23 B N2 O2 | P 1 21/n 1 | 16.378; 7.467; 16.966 90; 105.007; 90 | 2004.1 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100042 | CIF | C20 H25 B N2 | P 1 21/n 1 | 10.726; 12.542; 13.08 90; 91.437; 90 | 1759.04 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100043 | CIF | C18 H19 B Cl2 N2 | P 1 21/n 1 | 12.777; 12.551; 10.72 90; 90.546; 90 | 1719 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100044 | CIF | C22 H17 B O4 | P 1 21/a 1 | 11.962; 7.228; 20.281 90; 100.49; 90 | 1724.21 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100045 | CIF | C23 H19 B O5 | P c a 21 | 9.867; 14.292; 14.081 90; 90; 90 | 1985.7 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100046 | CIF | C22 H17 B O2 S2 | P n m a | 8.493; 14.313; 15.954 90; 90; 90 | 1939.4 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100047 | CIF | C18 H19 B O4 | P 1 21/n 1 | 18.729; 13.177; 21.8 90; 111.059; 90 | 5020.7 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100048 | CIF | C16 H13 B F2 O2 | P n a 21 | 12.187; 6.823; 32.524 90; 90; 90 | 2704.4 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100049 | CIF | C16 H13 B Cl2 O2 | P m n 21 | 6.95; 9.08; 11.323 90; 90; 90 | 714.55 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100050 | CIF | C16 H14 O2 | P 1 21/c 1 | 6.642; 12.169; 15.118 90; 91.913; 90 | 1221.3 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100051 | CIF | C14 H7 Br3 | P 1 21/c 1 | 10.153; 7.248; 17.358 90; 106.064; 90 | 1227.48 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100052 | CIF | C17 H13 N O2 | I 41/a :2 | 25.057; 25.057; 8.371 90; 90; 90 | 5255.8 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100053 | CIF | C19 H20 B2 F7 O4 | P 1 21/c 1 | 10.981; 14.701; 13.43 90; 107.81; 90 | 2064.2 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
| 4100054 | CIF | C18 H42 Ni Si4 | C 1 2/c 1 | 16.537; 12.438; 12.723 90; 90.155; 90 | 2617 | Journal of the American Chemical Society, 2005 |
| 4100055 | CIF | C18 H42 Ni Si4 | C 1 2/c 1 | 10.969; 19.144; 12.491 90; 103.151; 90 | 2554.1 | Journal of the American Chemical Society, 2005 |
| 4100056 | CIF | C18 H42 Ni Si4 | P 1 21/c 1 | 12.364; 10.2697; 21.0044 90; 99.389; 90 | 2631.3 | Journal of the American Chemical Society, 2005 |
| 4100057 | CIF | C18 H42 Br2 Ni2 Si4 | C 1 2/c 1 | 14.819; 23.37; 11.251 90; 130.197; 90 | 2976 | Journal of the American Chemical Society, 2005 |
| 4100058 | CIF | C18 H42 I2 Ni2 Si4 | C 2 2 21 | 16.448; 19.038; 19.669 90; 90; 90 | 6159 | Journal of the American Chemical Society, 2005 |
| 4100059 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.7634; 12.8715; 13.466 84.967; 87.007; 80.751 | 1832.9 | Journal of the American Chemical Society, 2005 |
| 4100060 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.774; 12.901; 13.481 84.828; 86.932; 80.859 | 1841 | Journal of the American Chemical Society, 2005 |
| 4100061 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.7902; 12.9099; 13.4876 84.719; 86.876; 80.733 | 1844.9 | Journal of the American Chemical Society, 2005 |
| 4100062 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.8075; 12.9228; 13.4987 84.676; 86.905; 80.678 | 1850.9 | Journal of the American Chemical Society, 2005 |
| 4100063 | CIF | C24 H36 Cs N3 Ni O9 S10 | P -1 | 10.81; 12.929; 13.526 84.43; 86.974; 80.52 | 1854.5 | Journal of the American Chemical Society, 2005 |
| 4100064 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.821; 12.935; 13.566 84.37; 87.094; 80.51 | 1862.6 | Journal of the American Chemical Society, 2005 |
| 4100065 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.804; 12.906; 13.573 84.226; 87.3; 80.552 | 1856.5 | Journal of the American Chemical Society, 2005 |
| 4100066 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.798; 12.928; 13.642 84.02; 87.631; 80.447 | 1867.2 | Journal of the American Chemical Society, 2005 |
| 4100067 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.802; 12.956; 13.709 83.92; 87.898; 80.611 | 1881.8 | Journal of the American Chemical Society, 2005 |
| 4100068 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.774; 12.977; 13.751 84.03; 88.06; 80.62 | 1886.3 | Journal of the American Chemical Society, 2005 |
| 4100069 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.782; 13.05; 13.818 84.03; 87.93; 80.58 | 1907.3 | Journal of the American Chemical Society, 2005 |
| 4100070 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.787; 13.061; 13.808 83.94; 88.09; 80.613 | 1908.4 | Journal of the American Chemical Society, 2005 |
| 4100071 | CIF | C24 H40 Fe N2 S4 | P 1 21/n 1 | 7.3798; 13.422; 13.582 90; 100.51; 90 | 1322.7 | Journal of the American Chemical Society, 2005 |
| 4100072 | CIF | C47 H58 As Co S4 | P 1 21/c 1 | 11.4045; 13.0763; 31.143 90; 93.2; 90 | 4637.1 | Journal of the American Chemical Society, 2005 |
| 4100073 | CIF | C35 H36 Co O P S Si | P 1 21/n 1 | 9.9942; 9.5495; 33.038 90; 95.405; 90 | 3139.1 | Journal of the American Chemical Society, 2005 |
| 4100074 | CIF | C1.65 H10 N0.82 O5.24 Se U0.59 | I 2 m m | 10.8864; 29.532; 47.439 90; 90; 90 | 15251.5 | Journal of the American Chemical Society, 2005 |
| 4100075 | CIF | C12 H14 Br N O2 | P 1 21 1 | 7.7697; 5.6329; 13.56 90; 100.345; 90 | 583.8 | Journal of the American Chemical Society, 2005 |
| 4100076 | CIF | C61 H58 B Cr F24 N2 O Si | P 1 21/c 1 | 13.628; 25.586; 18.371 90; 90.579; 90 | 6405.4 | Journal of the American Chemical Society, 2005 |
| 4100077 | CIF | C22 H8 Cr2 Fe N2 O10 | P 1 21/n 1 | 6.6386; 18.4782; 19.224 90; 97.679; 90 | 2337 | Siemeling, Ulrich; Rother, Dag; Fink, Heinrich Journal of the American Chemical Society, 2005 |
| 4100078 | CIF | C12 H8 Au2 Cl2 Fe N2 | P 1 21/n 1 | 6.48; 9.274; 23.403 90; 94.18; 90 | 1402.7 | Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens Journal of the American Chemical Society, 2005 |
| 4100079 | CIF | C4 H3 F N2 O2 | P -1 | 8.6329; 9.156; 12.5796 99.119; 100.021; 90.017 | 966.4 | Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society, 2005 |
| 4100080 | CIF | C4 H3 F N2 O2 | P 1 21/c 1 | 5.154; 15.001; 6.654 90; 110.336; 90 | 482.4 | Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society, 2005 |
| 4100081 | CIF | C4 H3 F N2 O2 | P 1 21/c 1 | 5.0433; 14.935; 6.6049 90; 108.884; 90 | 470.72 | Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society, 2005 |
| 4100082 | CIF | C32 H62 Li N2 O2 Pr S2 Si4 | P -1 | 8.693; 11.595; 22.719 103.694; 95.94; 90.653 | 2211.4 | Journal of the American Chemical Society, 2005 |
| 4100083 | CIF | C78 H118 Cl Li N4 Nd4 S8 Si8 | C 1 2/c 1 | 18.305; 24.227; 24.326 90; 98.52; 90 | 10669.3 | Journal of the American Chemical Society, 2005 |
| 4100084 | CIF | C52 H100 Cl5 Li N4 O S4 Si8 Sm4 | P -1 | 13.7062; 17.0964; 19.882 75.817; 83.698; 77.496 | 4401.8 | Journal of the American Chemical Society, 2005 |
| 4100085 | CIF | C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 | P -1 | 12.201; 13.088; 15.082 101.45; 106.858; 114.631 | 1948.8 | Journal of the American Chemical Society, 2005 |
| 4100086 | CIF | C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 | P 1 21/n 1 | 13.1658; 19.81; 13.5111 90; 94.19; 90 | 3514.5 | Journal of the American Chemical Society, 2005 |
| 4100087 | CIF | C64 H124 Cl Co N13 O31 P | P 21 21 21 | 29.486; 29.833; 37.579 90; 90; 90 | 33057 | Journal of the American Chemical Society, 2005 |
| 4100088 | CIF | C64 H127 Co N13 O32 P | P 21 21 21 | 15.806; 22.471; 25.338 90; 90; 90 | 8999 | Properties and Reactivity of Chlorovinylcobalamin and Vinylcobalamin and Their Implications for Vitamin B~12~-Catalyzed Reductive Dechlorination of Chlorinated Alkenes Journal of the American Chemical Society, 2005 |
| 4100089 | CIF | C9 H18 O6 | P 1 21/c 1 | 13.788; 10.664; 7.894 90; 91.77; 90 | 1160.1 | Journal of the American Chemical Society, 2005 |
| 4100090 | CIF | C25 H36 N14 O13 Pt S | P 1 21 1 | 10.838; 31.965; 11.817 90; 112.987; 90 | 3769 | Journal of the American Chemical Society, 2005 |
| 4100091 | CIF | C25 H44 N14 O14 Pt S | P -1 | 10.3067; 13.3068; 15.1285 78.244; 82.033; 70.672 | 1911.2 | Barry, Colin G.; Day, Cynthia S.; Bierbach, Ulrich Duplex Promoted Platination of Adenine-N3 in the Minor Groove of DNA. Challenging a Longstanding Bioinorganic Paradigm Journal of the American Chemical Society, 2005 |
| 4100092 | CIF | C40 H52 N4 Ni | P -1 | 16.812; 20.01; 21.378 94.557; 97.004; 109.382 | 6677.7 | Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A. Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins Journal of the American Chemical Society, 2005, 127, 1179-1192 |
| 4100093 | CIF | C40 H52 N4 Ni | P -1 | 8.4141; 13.293; 15.281 82.965; 81.68; 88.189 | 1678.3 | Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A. Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins Journal of the American Chemical Society, 2005, 127, 1179-1192 |
| 4100094 | CIF | C14 H16 O3 | P 1 21/n 1 | 14.931; 9.77; 14.931 90; 90.94; 90 | 2177.8 | Journal of the American Chemical Society, 2005 |
| 4100095 | CIF | C14 H16 O3 | P 21 21 21 | 7.0339; 9.7592; 16.0454 90; 90; 90 | 1101.4 | Journal of the American Chemical Society, 2005 |
| 4100096 | CIF | C14 H16 O2 | P 1 21/c 1 | 8.1004; 10.1648; 13.3393 90; 98.399; 90 | 1086.6 | Journal of the American Chemical Society, 2005 |
| 4100097 | CIF | C14 H20 O3 | P 1 21/c 1 | 12.7483; 8.5538; 11.2196 90; 96.766; 90 | 1214.9 | Journal of the American Chemical Society, 2005 |
| 4100098 | CIF | C21 H22 N2 O9 | P -1 | 6.5607; 12.2817; 25.088 88.583; 87.417; 82.263 | 2000.7 | Journal of the American Chemical Society, 2005 |
| 4100099 | CIF | C15 H19 N O3 S | P 21 21 21 | 8.3728; 10.2615; 18.297 90; 90; 90 | 1572 | Journal of the American Chemical Society, 2005 |
| 4100100 | CIF | C17 H21 N O3 | C 1 c 1 | 14.856; 9.209; 12.593 90; 110.039; 90 | 1618.5 | Journal of the American Chemical Society, 2005 |
| 4100101 | CIF | C15 H26 Cl N O | P 1 21 1 | 7.8777; 7.7795; 13.672 90; 102.036; 90 | 819.5 | Journal of the American Chemical Society, 2005 |
| 4100102 | CIF | C58 H70 Cl8 Fe2 P2 Pd2 | P 1 21 1 | 13.5209; 15.1921; 15.0232 90; 108.483; 90 | 2926.7 | Journal of the American Chemical Society, 2005 |
| 4100103 | CIF | C184 H150 Cl10 N44 O46 | P 1 21/c 1 | 27.8066; 14.6508; 44.3633 90; 91.67; 90 | 18065.4 | Journal of the American Chemical Society, 2005 |
| 4100104 | CIF | C17 H19 S | P 1 21/c 1 | 31.075; 7.395; 5.866 90; 93.97; 90 | 1344.8 | Journal of the American Chemical Society, 2005 |
| 4100105 | CIF | C22 H14 S2 | P c c n | 34.243; 7.5118; 6.0908 90; 90; 90 | 1566.7 | Journal of the American Chemical Society, 2005 |
| 4100106 | CIF | C17 H17 Cl N2 O2 | P 21 21 21 | 15.141; 16.7; 6.269 90; 90; 90 | 1585.2 | Hideko Koshima Journal of the American Chemical Society, 2005 |
| 4100107 | CIF | C70 H90 N4 | P -1 | 11.2352; 11.5362; 13.4393 65.127; 71.281; 79.797 | 1494.92 | Jeremiah A Marsden; MIke M. Haley; Fusen Han Journal of the American Chemical Society, 2005 |
| 4100108 | CIF | C54 H54 N4 O4 | P -1 | 13.001; 13.594; 14.847 112.913; 90.637; 103.57 | 2334.1 | Jeremiah A Marsden; MIke M. Haley; Fusen Han Journal of the American Chemical Society, 2005 |
| 4100109 | CIF | C33 H36 N3 Rh | P 1 21/c 1 | 11.4645; 17.7575; 13.7191 90; 92.69; 90 | 2789.9 | Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society, 2005 |
| 4100110 | CIF | C68 H75 Ag2 B2 F8 N7 Rh2 | P -1 | 13.552; 16.2471; 16.6517 77.66; 68.107; 71.664 | 3209.8 | Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society, 2005 |
| 4100111 | CIF | C38 H39 Ag3 F9 N4 O9 Rh S3 | P 1 21/c 1 | 21.9776; 10.6829; 21.8444 90; 113.597; 90 | 4699.9 | Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society, 2005 |
| 4100112 | CIF | C22 H35 N O3 | P 21 21 21 | 6.6718; 12.839; 26.802 90; 90; 90 | 2295.8 | Journal of the American Chemical Society, 2005 |
| 4100113 | CIF | C80 H104 F6 N10 O15 | P 21 21 21 | 9.639; 23.908; 38.807 90; 90; 90 | 8943.3 | Journal of the American Chemical Society, 2005 |
| 4100114 | CIF | C24 H22 As F6 N2 O2 S12 | P -1 | 6.4102; 7.5058; 17.987 83.523; 86.529; 85.458 | 856.03 | Journal of the American Chemical Society, 2005 |
| 4100115 | CIF | C24 H22 As F6 N2 O2 S12 | P 1 | 6.3918; 7.502; 17.941 83.197; 86.638; 85.548 | 850.6 | Journal of the American Chemical Society, 2005 |
| 4100116 | CIF | C24 H22 As F6 N2 O2 S12 | P 1 | 6.3962; 7.4884; 17.94 83.13; 86.579; 85.52 | 849.41 | Journal of the American Chemical Society, 2005 |
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