Crystallography Open Database
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Searching journal of publication like 'Chemical science' volume of publication is 7
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1531039 | CIF | C70.45 H104.45 Cl13.38 N8 O12.05 | P 1 | 14.3767; 24.3477; 24.5528 90.131; 93.427; 91.09 | 8577.5 | Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R. Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties Chem. Sci., 2016, 7, 183 |
| 1532467 | CIF | C11 H7 F2 N3 O3 S | C 1 2 1 | 26.261; 5.162; 9.7804 90; 111.188; 90 | 1236.2 | Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells Chem. Sci., 2016, 7, 256 |
| 1532488 | CIF | C15 H10 Br N3 O2 | P -1 | 5.2396; 10.766; 12.305 97.556; 93.106; 95.573 | 683.3 | Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M. Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry Chem. Sci., 2016, 7, 315 |
| 1532489 | CIF | C18 H15 N3 S | P 1 21/c 1 | 9.3536; 17.701; 9.8752 90; 111.505; 90 | 1521.2 | Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M. Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry Chem. Sci., 2016, 7, 315 |
| 1532503 | CIF | C38 H80 Fe2 O6 P2 Si8 | P 1 21/c 1 | 15.6926; 17.5019; 21.2042 90; 110.633; 90 | 5450.2 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
| 1532504 | CIF | C26 H52 Fe N O3 P Si4 | P -1 | 9.4542; 11.3877; 16.3807 75.408; 87.846; 79.154 | 1676.1 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
| 1532505 | CIF | C22 H49 Fe O3 P Si5 | P -1 | 11.1846; 11.2283; 14.972 83.758; 76.946; 60.902 | 1600.5 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
| 1532506 | CIF | C37 H56 Fe O3 P Si4 Sn | P 21 21 21 | 11.387; 14.883; 24.983 90; 90; 90 | 4233.9 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
| 1534126 | CIF | C16 H13 N O3 | P b c a | 7.2317; 11.2958; 32.232 90; 90; 90 | 2633 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534127 | CIF | C17 H15 N O3 | P 1 21/c 1 | 5.792; 23.556; 11.041 90; 113.83; 90 | 1378 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534128 | CIF | C18 H19 N O5 | P 1 21 1 | 11.1595; 6.7253; 11.4275 90; 103.413; 90 | 834.25 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534129 | CIF | C23 H19 N O4 | P 21 21 21 | 7.6287; 11.5801; 20.615 90; 90; 90 | 1821.2 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534130 | CIF | C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 | P -1 | 13.668; 15.095; 19.109 79.735; 89.183; 63.926 | 3475 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534131 | CIF | C64 H54 B2 O4 | P -1 | 7.553; 12.357; 12.549 83.18; 74.39; 84.51 | 1117.6 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
| 1534132 | CIF | C96 H118 B2 O4 | P -1 | 11.769; 14.134; 23.62 84.13; 87.54; 84.78 | 3890 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
| 1534133 | CIF | C102 H130 B2 K3 N6 O18 | P 1 21/n 1 | 15.4324; 29.3994; 21.2075 90; 97.632; 90 | 9536.7 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
| 1534134 | CIF | C88 H82 B2 N4 O4 | P 1 21/c 1 | 17.0469; 17.6986; 23.1757 90; 99.4921; 90 | 6896.5 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
| 1534349 | CIF | C30 H54 O3 Si4 | P 1 21/c 1 | 11.113; 35.197; 9.482 90; 102.084; 90 | 3626.6 | Gati, Wafa; Yamamoto, Hisashi A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols Chem. Sci., 2016, 7, 394 |
| 1534350 | CIF | C24 H64 O3 Si8 | P 1 21/c 1 | 16.614; 18.221; 14.051 90; 105.69; 90 | 4095 | Gati, Wafa; Yamamoto, Hisashi A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols Chem. Sci., 2016, 7, 394 |
| 1534393 | CIF | C86 H74 Cl4 F12 N6 O5 P2 | P 1 21/n 1 | 11.1928; 21.893; 32.961 90; 92.044; 90 | 8072 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
| 1534394 | CIF | C106 H97 Cl21 F12 N6 O6 P2 | P -1 | 11.354; 17.925; 30.835 103.44; 93.42; 103.76 | 5884 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
| 1534395 | CIF | C99 H88 F6 N5 O7 P | I 41/a | 33.379; 33.379; 40.257 90; 90; 90 | 44853 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
| 1534396 | CIF | C193 H178 Cl2 N8 O36 | P -1 | 14.0049; 23.6564; 26.0431 71.035; 82.975; 82.271 | 8057.2 | Jarolímová, Zdeňka; Vishe, Mahesh; Lacour, Jérôme; Bakker, Eric Potassium ion-selective fluorescent and pH independent nanosensors based on functionalized polyether macrocycles Chem. Sci., 2016, 7, 525 |
| 1534397 | CIF | C30 H25 Cl3 N2 S2 | P 65 | 13.8888; 13.8888; 25.754 90; 90; 120 | 4302.3 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
| 1534398 | CIF | C31 H32 N2 O2 S2 | P 1 21/c 1 | 22.178; 7.454; 18.052 90; 104.184; 90 | 2893.3 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
| 1534399 | CIF | C32 H31 F3 N2 O4 S2 | P 1 21/c 1 | 20.1561; 9.0577; 17.1173 90; 93.287; 90 | 3119.9 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
| 1534400 | CIF | C64 H62 N6 O2 S4 | P b c a | 18.22; 12.964; 24.265 90; 90; 90 | 5731 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
| 1536868 | CIF | C44 H36 Cl3 Dy N4 O10 Zn2 | C 1 2/c 1 | 16.203; 22.757; 14.315 90; 104.77; 90 | 5104 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
| 1536869 | CIF | C45 H40 Br3 Cl0 Dy N4 O12 Zn2 | P -1 | 10.6898; 15.3759; 16.5328 92.178; 108.24; 99.096 | 2537.31 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
| 1536870 | CIF | C88 H76 Br8 Dy2 N8 O18 Zn5 | P 1 21/n 1 | 12.6367; 16.8613; 23.4058 90; 104.117; 90 | 4836.5 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
| 1536871 | CIF | C44 H48 Cl3 Dy N4 O8 Zn2 | C 1 2/c 1 | 16.2823; 23.8976; 14.0704 90; 104.843; 90 | 5292.2 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
| 1536875 | CIF | C66 H90 N2 O8 Zn2 | P b c a | 10.881; 19.554; 29.442 90; 90; 90 | 6264.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536876 | CIF | C38 H50 N2 O4 Zn | P 1 21/c 1 | 10.671; 19.665; 17.723 90; 97.137; 90 | 3690 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536877 | CIF | C32 H46 N2 O4 Zn | P b c a | 12.2437; 18.3841; 30.3846 90; 90; 90 | 6839.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536878 | CIF | C36 H52 N4 O4 Zn | P 1 21/c 1 | 10.6541; 19.7432; 17.8899 90; 99.193; 90 | 3714.7 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536879 | CIF | C47 H56 N2 O4 Zn | P 1 21/c 1 | 10.404; 32.256; 13.672 90; 111.664; 90 | 4264.1 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536880 | CIF | C76 H96 N2 O8 Zn2 | P 1 21/n 1 | 12.617; 18.443; 15.543 90; 102.81; 90 | 3526.8 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536881 | CIF | C31 H36 N O2 Zn0.5 | P 1 21/n 1 | 7.6947; 13.1945; 27.271 90; 95.507; 90 | 2756 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536882 | CIF | C127.8 H160.2 N3 O12 Zn3 | P -1 | 15.4724; 15.4781; 28.908 78.73; 88.358; 60.122 | 5867.8 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1538431 | CIF | C17 H8 N2 O3 S | P 1 21/c 1 | 15.8828; 6.8328; 13.9502 90; 107.844; 90 | 1441.1 | Tseng, Huan-Wei; Shen, Jiun-Yi; Kuo, Ting-Yi; Tu, Ting-Syun; Chen, Yi-An; Demchenko, Alexander P.; Chou, Pi-Tai Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior Chem. Sci., 2016, 7, 655 |
| 1540023 | CIF | C625 H509 B25 Cd12 F142 N145 O3 P7 Ru4 | P -1 | 30.518; 31.449; 54.722 81.113; 76.27; 68.114 | 47215 | Metherell, Alexander J.; Ward, Michael D. Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component Chem. Sci., 2016, 7, 910 |
| 1540182 | CIF | C28 H20 B2 Cu2 Mn4 O8 | P 1 21/c 1 | 12.657; 17.3227; 13.6878 90; 91.065; 90 | 3000.6 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540183 | CIF | C28 H20 Au2 B2 Mn4 O8 | C 1 2/c 1 | 17.4662; 12.1607; 15.4013 90; 119.822; 90 | 2838.1 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540184 | CIF | C50 H76 B Cu Mn2 O4 P2 Pt | P -1 | 11.174; 11.176; 19.8602 83.931; 83.831; 75.995 | 2384.3 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540185 | CIF | C70 H83 B Cu Mn2 N2 O4 P Pt | P -1 | 12.516; 13.405; 19.099 100.262; 97.963; 95.107 | 3101.4 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540186 | CIF | C138 H112 Cu2 N4 S | C 1 c 1 | 20.1366; 18.5935; 28.856 90; 95.5214; 90 | 10753.8 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540187 | CIF | C70 H59 Cl2 Cu N2 S | P 1 21/c 1 | 12.65; 18.177; 23.842 90; 91.587; 90 | 5480 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540188 | CIF | C27 H37 Cu N2 S | P c c n | 12.6538; 10.6947; 19.3375 90; 90; 90 | 2616.9 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540189 | CIF | C15 H31 B2 N O4 | P -1 | 6.3072; 12.4643; 12.5184 101.141; 100.174; 103.802 | 911.73 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540190 | CIF | C37 H49 Mg N3 O | P 1 21/n 1 | 12.741; 12.948; 20.76 90; 92.575; 90 | 3421.33 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540191 | CIF | C74 H98 Mg2 N6 O2 | P 1 21/n 1 | 22.747; 13.264; 24.917 90; 115.512; 90 | 6784.83 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540192 | CIF | C40 H64 B Mg N3 O | P 1 21/c 1 | 13.7058; 13.1659; 22.9509 90; 96.1775; 90 | 4117.42 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540193 | CIF | C102 H132 B Mg2 N6 O2 | C 1 c 1 | 12.3279; 30.1877; 26.5175 90; 102.622; 90 | 9630 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540390 | CIF | C66 H56 | R -3 :H | 37.115; 37.115; 8.929 90; 90; 120 | 10652 | Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes Chem. Sci., 2016, 7, 650 |
| 1540391 | CIF | C84 H72 O2 | P 1 21/n 1 | 14.623; 14.269; 15.12 90; 109.197; 90 | 2979 | Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes Chem. Sci., 2016, 7, 650 |
| 1540427 | CIF | C78 H96 Cl16 Fe2 N8 O18 | P 1 2/c 1 | 31.467; 9.589; 30.77 90; 91.556; 90 | 9281 | Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci., 2016, 7, 1212 |
| 1540428 | CIF | C76 H92 Cl14 Fe4 N8 | P 1 21/n 1 | 15.165; 18.236; 15.623 90; 103.044; 90 | 4209 | Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci., 2016, 7, 1212 |
| 1540429 | CIF | K2 S7 Sn3 | C m c m | 3.6831; 25.8877; 16.8155 90; 90; 90 | 1603.31 | Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci., 2016, 7, 1121 |
| 1540430 | CIF | K1.92 S7.04 Sn3.04 | P 1 21/c 1 | 13.092; 16.882; 7.3748 90; 98.1; 90 | 1613.7 | Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci., 2016, 7, 1121 |
| 1540431 | CIF | C72 H74 As N4 | P -1 | 10.8398; 16.34; 17.69 85.439; 75.15; 82.111 | 2996.8 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540432 | CIF | C60 H62 As N3 P | P -1 | 10.6316; 12.8458; 20.4651 85.732; 82.704; 66.749 | 2546.3 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540433 | CIF | C60 H62 As N3 P | P -1 | 10.6707; 12.7933; 20.5386 85.861; 82.563; 67.099 | 2560.3 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540434 | CIF | C65.25 H71.25 As N3 P2 | P 1 21/c 1 | 24.123; 12.4043; 39.14 90; 106.871; 90 | 11207.8 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540435 | CIF | C29 H37 Ir O P2 S2 | P 1 21/c 1 | 13.5212; 15.0131; 16.025 90; 116.716; 90 | 2905.73 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540436 | CIF | C32.5 H40 Ir O2 P2 S2 | P -1 | 12.8155; 14.1374; 19.4358 105.409; 103.594; 93.729 | 3269 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540437 | CIF | C36 H44 Br Ir O P2 S2 | P 1 21/n 1 | 14.5417; 11.2071; 22.7055 90; 106.959; 90 | 3539.41 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540438 | CIF | C36 H44 Cl3 Ir P2 S2 | P 1 21/c 1 | 12.4862; 13.6671; 23.602 90; 118.383; 90 | 3543.52 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540439 | CIF | C31 H36 Cl F6 Ir O6 P2 S4 | C 1 2/c 1 | 29.3975; 17.9182; 23.5916 90; 122.649; 90 | 10463.3 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540440 | CIF | C31 H38 Cl F6 Ir O7 P2 S4 | C 1 2/c 1 | 27.4764; 20.4688; 18.4422 90; 112.874; 90 | 9556.4 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540441 | CIF | C15.19 H10.98 Ca O6 S | P 1 21/n 1 | 11.8013; 5.5827; 22.723 90; 100.092; 90 | 1473.9 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540442 | CIF | C14.6 H9.36 Ca O6 S | P 1 21/n 1 | 11.7292; 5.5685; 22.792 90; 100.493; 90 | 1463.7 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540443 | CIF | C14.63 H9.47 Ca O6 S | P 1 21/n 1 | 11.715; 5.5679; 22.8208 90; 100.532; 90 | 1463.48 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540444 | CIF | C15.58 H11.8 Ca O6 S | P 1 21/n 1 | 11.8767; 5.5769; 22.486 90; 99.893; 90 | 1467.2 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540445 | CIF | C14.5 H9.34 Ca O6 S | P 1 21/n 1 | 11.7073; 5.5647; 22.83 90; 100.586; 90 | 1462 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540446 | CIF | C15.31 H11.5 Ca O6 S | P 1 21/n 1 | 11.6426; 5.5574; 22.8446 90; 100.681; 90 | 1452.5 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540447 | CIF | C14.72 H9.79 Ca O6 S | P 1 21/n 1 | 11.6884; 5.5643; 22.8159 90; 100.691; 90 | 1458.14 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540457 | CIF | C31 H56 Cl2 N10 | P 1 21/m 1 | 5.8762; 23.96; 12.4969 90; 91.956; 90 | 1758.5 | Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L. s-Heptazine oligomers: promising structural models for graphitic carbon nitride Chem. Sci., 2016, 7, 945 |
| 1540458 | CIF | C60 H91 N21 O4 | P 1 21/c 1 | 21.414; 11.9388; 25.308 90; 96.333; 90 | 6430.7 | Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L. s-Heptazine oligomers: promising structural models for graphitic carbon nitride Chem. Sci., 2016, 7, 945 |
| 1540459 | CIF | C23 H41 Cl Ni O3 P2 | P 1 21/c 1 | 14.485; 7.985; 23.646 90; 106.418; 90 | 2623.4 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540460 | CIF | C23 H41 Cl Ni O2 P2 | P 1 21/n 1 | 9.8433; 19.618; 13.982 90; 105.052; 90 | 2607.4 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540461 | CIF | C23 H42 Ni O3 P2 | P 1 21/n 1 | 9.756; 19.408; 14.026 90; 104.528; 90 | 2570.8 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540462 | CIF | C23 H42 Ni O2 P2 | P 1 21/n 1 | 9.528; 20.201; 13.434 90; 100.908; 90 | 2539 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540463 | CIF | C30 H56 Ni O2 P2 | P 1 21/n 1 | 15.131; 12.589; 17.529 90; 106.717; 90 | 3197.9 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540464 | CIF | C25 H44 B F4 N Ni O2 P2 | P 1 21/m 1 | 7.6473; 12.5571; 15.1719 90; 92.552; 90 | 1455.5 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540467 | CIF | C17 H11 N3 O6 | P 1 21/c 1 | 9.9877; 15.1541; 10.2131 90; 103.161; 90 | 1505.2 | Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon Synergistic catalysis: cis-cyclopropanation of benzoxazoles Chem. Sci., 2016, 7, 984 |
| 1540485 | CIF | C29 H39 Cl O3 P2 Pd | P 21 21 21 | 10.278; 15.524; 18.474 90; 90; 90 | 2947.6 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540486 | CIF | C25 H45 F6 O3 P3 Pd | P -1 | 8.338; 13.576; 14.319 81.992; 83.829; 75.466 | 1549.2 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540487 | CIF | C31 H51 Cl2 F6 N O3 P3 Pd | C 1 c 1 | 8.2128; 22.725; 20.504 90; 100.299; 90 | 3765.1 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540488 | CIF | C35 H47 Cl5 F6 O5 P3 Pd | P 1 21/c 1 | 11.521; 16.475; 22.564 90; 99.836; 90 | 4219.9 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540489 | CIF | C38 H44 F12 N O3 P3 Pd | P b c a | 14.361; 22.678; 25.532 90; 90; 90 | 8315 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540492 | CIF | C10 H26 Fe2 N2 O18 | P 1 21/n 1 | 8.2586; 15.8638; 9.4209 90; 113.19; 90 | 1134.5 | Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework Chem. Sci., 2016, 7, 1349 |
| 1540493 | CIF | C10 H26 Mg2 N2 O18 | P 1 21/n 1 | 8.292; 15.688; 9.38 90; 114.8; 90 | 1107.7 | Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework Chem. Sci., 2016, 7, 1349 |
| 1540494 | CIF | C35 H30 | P 1 21/n 1 | 7.3879; 15.852; 41.261 90; 90.675; 90 | 4831.9 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540495 | CIF | C44 H39 N | R -3 :H | 18.861; 18.861; 7.446 90; 90; 120 | 2294 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540496 | CIF | C49 H42 | C 1 2/c 1 | 29.026; 7.501; 33.242 90; 104.96; 90 | 6992 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540497 | CIF | C62.9 H62.9 Cl2.71 | P b c a | 14.3269; 17.0916; 42.481 90; 90; 90 | 10402.3 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540498 | CIF | C63 H54 | P 1 21/n 1 | 22.263; 7.4477; 28.978 90; 109.502; 90 | 4529.1 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540499 | CIF | C39 H30 | P b c a | 16.2912; 15.2859; 43.96 90; 90; 90 | 10947.2 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540500 | CIF | C15 H14 N2 O3 S | P 21 21 21 | 6.182; 8.842; 26.31 90; 90; 90 | 1438 | Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro Chiral Brønsted acid-catalyzed enantioselective Friedel‒Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ Chem. Sci., 2016, 7, 1057 |
| 1540515 | CIF | C47 H55 N | P -1 | 14.501; 20.18; 22.027 62.892; 84.149; 77.27 | 5597 | Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei Thermodynamic synthesis of solution processable ladder polymers Chem. Sci., 2016, 7, 881 |
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