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 |
|---|---|---|---|---|---|---|
| 1540516 | CIF | C24 H18 B Cl3 F6 N2 O5 | P -1 | 10.3672; 15.451; 17.504 84.827; 78.441; 86.992 | 2734.1 | Ishihara, Kazuaki; Lu, Yanhui Boronic acid–DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines Chem. Sci., 2016, 7, 1276 |
| 1540517 | CIF | C45 H26 Cl2 F N5 | P 1 21/c 1 | 11.74; 21.882; 28.231 90; 92.244; 90 | 7247 | Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films Chem. Sci., 2016, 7, 1233 |
| 1540518 | CIF | C38 H35 N O Si | P 21 21 21 | 9.568; 14.645; 21.564 90; 90; 90 | 3021.6 | Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones Chem. Sci., 2016, 7, 1205 |
| 1540519 | CIF | C28 H36 S2 | P -1 | 6.7057; 9.395; 10.2135 75.517; 77.083; 71.249 | 582.7 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540520 | CIF | C28 H36 S2 | P -1 | 6.1837; 9.106; 11.6714 67.24; 76.721; 79.135 | 586.18 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540521 | CIF | C28 H32 O2 S2 | P -1 | 5.4552; 9.113; 24.9685 80.515; 88.025; 77.197 | 1193.85 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540522 | CIF | C28 H32 O2 S2 | P 1 21/n 1 | 11.2121; 10.8647; 19.8947 90; 92.346; 90 | 2421.46 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540523 | CIF | C26 H26 S2 | C 1 2/c 1 | 21.1876; 4.6865; 20.8975 90; 91.004; 90 | 2074.71 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540531 | CIF | C25 H29 Cl N O P Pd | P 1 21/n 1 | 16.151; 9.5824; 16.403 90; 111.38; 90 | 2363.9 | Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst Chem. Sci., 2016, 7, 1383 |
| 1540532 | CIF | C47 H65 N O5 | C 1 2 1 | 35.188; 7.4837; 16.526 90; 98.87; 90 | 4299.9 | Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)–H bonds using a palladium catalyst Chem. Sci., 2016, 7, 1383 |
| 1540538 | CIF | C150.25 H144 Cl4.5 Mn12 N24 O56 | P 1 21/c 1 | 34.19; 32.89; 44.013 90; 110.32; 90 | 46413 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540539 | CIF | C65 H86 Mn6 N10 O26 | C 1 2/c 1 | 16.0232; 41.093; 13.0506 90; 110.908; 90 | 8027.2 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540540 | CIF | C80 H98 Cl10 Mn6 N10 O32 | P -1 | 16.7797; 16.9615; 20.538 93.849; 105.068; 116.263 | 4948.4 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540541 | CIF | C206 H252 Cl44 Mn12 N24 O48 | C 1 2/c 1 | 42.112; 26.498; 30.5334 90; 127.707; 90 | 26956 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540542 | CIF | C58 H94 Au B F4 N2 O3 | P -1 | 12.4983; 12.6057; 18.1384 98.507; 92.517; 95.084 | 2810.4 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540543 | CIF | C60 H98 Au N2 O3.5 | C 1 2/c 1 | 20.0066; 16.2975; 20.6068 90; 119.023; 90 | 5875.3 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540544 | CIF | C50 H74 Au B Cl4 F4 N2 | P 1 21/c 1 | 15.393; 14.569; 24.605 90; 106.993; 90 | 5277 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540545 | CIF | C27 H43 B Cl Mg N6 | P 1 21 1 | 9.726; 17.928; 17.689 90; 90.136; 90 | 3084 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540546 | CIF | C24 H40 B F Mg N6 | P 1 21/n 1 | 9.422; 30.397; 9.544 90; 98.992; 90 | 2699.8 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540547 | CIF | C24 H40 B I Mg N6 | P 1 21/n 1 | 10.469; 16.987; 16.162 90; 91.359; 90 | 2873.4 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540548 | CIF | C27 H43 B Br Mg N6 | P 1 21 1 | 9.724; 18.118; 17.751 90; 90.132; 90 | 3127 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540553 | CIF | C18 H20 N2 O5 S | P 1 21 1 | 6.7708; 15.0499; 18.2635 90; 98.942; 90 | 1838.43 | Oda, Susumu; Franke, Jana; Krische, Michael J. Diene hydroaminomethylation via ruthenium-catalyzed C–C bond forming transfer hydrogenation: beyond carbonylation Chem. Sci., 2016, 7, 136 |
| 1540554 | CIF | C40 H56 B P | P -1 | 10.311; 18.895; 20.77 69.618; 85.946; 76.898 | 3694.3 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540555 | CIF | C40 H56 B P | P -1 | 10.5582; 19.131; 20.915 68.892; 85.501; 77.175 | 3842.8 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540556 | CIF | C40 H56 B P | P 1 21/n 1 | 12.1401; 36.975; 17.688 90; 102.611; 90 | 7748.2 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540557 | CIF | C40 H56 B P | P -1 | 10.1868; 18.7141; 20.7566 70.748; 86.972; 76.006 | 3623.3 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540560 | CIF | C64.5 H54 Cl8 I3 O2 Os P3 | P 1 21/c 1 | 12.9311; 22.2426; 23.2785 90; 102.771; 90 | 6529.8 | Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion Chem. Sci., 2016, 7, 1815 |
| 1540561 | CIF | C64 H53 Br8 Cl2 O2 Os P3 | P 1 21/c 1 | 13.0217; 22.2992; 23.1406 90; 102.857; 90 | 6551 | Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion Chem. Sci., 2016, 7, 1815 |
| 1540562 | CIF | C42 H53 Dy N2 O P2 Si2 | P 1 21/m 1 | 10.47242; 19.20658; 10.61743 90; 94.0778; 90 | 2130.18 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540563 | CIF | C62 H77 N4 P4 Si4 Y | C 1 2/c 1 | 31.667; 25.7439; 20.938 90; 132.786; 90 | 12527 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540564 | CIF | C62 H77 Dy N4 P4 Si4 | C 1 2/c 1 | 31.7145; 25.723; 20.9468 90; 132.69; 90 | 12560.4 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540565 | CIF | C90 H132 K N4 O10 P4 Si4 Y | P -1 | 15.1169; 15.282; 21.1716 98.667; 94.975; 93.716 | 4801.8 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540566 | CIF | C90 H132 Dy K N4 O10 P4 Si4 | P -1 | 15.1483; 15.3041; 21.1587 98.844; 95.182; 93.576 | 4812.6 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540567 | CIF | C148 H170 Au25 O2 S36 | P -1 | 16.174; 17.746; 17.83 65; 64; 81 | 4166 | Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J. Jahn‒Teller effects in Au25(SR)18 Chem. Sci., 2016, 7, 1882 |
| 1540568 | CIF | C144 H180 Au25 F6 P S18 | P -1 | 16.8533; 17.775; 18.2364 93.765; 114.867; 112.147 | 4424.4 | Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J. Jahn‒Teller effects in Au25(SR)18 Chem. Sci., 2016, 7, 1882 |
| 1540579 | CIF | C26 H29 F3 N2 O5 | P 21 21 21 | 7.9683; 12.0495; 25.4584 90; 90; 90 | 2444.36 | Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu Chemo- and regioselective oxygenation of C(sp3)–H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen Chem. Sci., 2016, 7, 1904 |
| 1540581 | CIF | C23 H34 N2 O | P -1 | 6.1983; 9.7636; 17.0724 75.866; 84.107; 87.755 | 996.5 | Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F. Dichotomous mechanistic behavior in Narasaka–Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals Chem. Sci., 2016, 7, 1508 |
| 1540585 | CIF | C109.5 H36 N3 S5 Sc3 | P -1 | 10.9903; 17.558; 19.758 99.562; 105.779; 107.217 | 3376.1 | Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct Chem. Sci., 2016, 7, 2331 |
| 1540586 | CIF | C11 H7 F3 I N | P 1 21/c 1 | 7.7762; 19.2554; 7.6287 90; 98.728; 90 | 1129.05 | Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex Chem. Sci., 2016, 7, 2030 |
| 1540655 | CIF | C22 H14 Co In O8 | I -4 3 d | 20.447; 20.447; 20.447 90; 90; 90 | 8548.48 | Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J. Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF Chem. Sci., 2016, 7, 2037 |
| 1540656 | CIF | C12 H4 Co0.28 In O8 | I -4 3 d | 20.4031; 20.4031; 20.4031 90; 90; 90 | 8493.53 | Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J. Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF Chem. Sci., 2016, 7, 2037 |
| 1540657 | CIF | C17 H23 F2 N O5 S | C 1 2/c 1 | 38.0429; 5.96446; 19.5829 90; 120.924; 90 | 3811.83 | Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization Chem. Sci., 2016, 7, 2106 |
| 1540658 | CIF | C14 H14 F4 O5 S | P 1 21/n 1 | 8.1328; 19.0087; 10.727 90; 104.653; 90 | 1604.39 | Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio Successive C–C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization Chem. Sci., 2016, 7, 2106 |
| 1540659 | CIF | C104.2 H58 F20 N8 O1.45 S4 | C 1 2/c 1 | 56.36; 9.525; 42.145 90; 119.716; 90 | 19649 | Oh, Juwon; Mori, Hirotaka; Sung, Young Mo; Kim, Woojae; Osuka, Atsuhiro; Kim, Dongho Switchable π-electronic network of bis(α-oligothienyl)-substituted hexaphyrins between helical versus rectangular circuit Chem. Sci., 2016, 7, 2239 |
| 1540660 | CIF | C32 H44 N2 Ni O2 | P 1 21/c 1 | 10.2568; 19.4457; 15.3511 90; 107.575; 90 | 2918.9 | Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci., 2016, 7, 1807 |
| 1540661 | CIF | C56 H73 N3 Ni O | P 21 21 21 | 15.7714; 17.0164; 18.6084 90; 90; 90 | 4994 | Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci., 2016, 7, 1807 |
| 1540662 | CIF | C54 H65 N3 Ni O2 | P 1 21/c 1 | 10.3735; 18.252; 24.6774 90; 97.1921; 90 | 4635.6 | Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci., 2016, 7, 1807 |
| 1540680 | CIF | C84 H52 Cl14 Co N6 S2 | P -1 | 13.593; 17.194; 18.45 99.319; 100.076; 107.842 | 3933 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540681 | CIF | C84 H52 Cl14 Co N6 S2 | P -1 | 13.593; 17.194; 18.45 99.319; 100.076; 107.842 | 3933 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540682 | CIF | C94 H72 Co N6 O4 S10 | C 1 2/m 1 | 13.8432; 20.8218; 14.0803 90; 96.987; 90 | 4028.4 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540683 | CIF | C94 H72 Co N6 O4 S10 | C 1 2/m 1 | 13.8432; 20.8218; 14.0803 90; 96.987; 90 | 4028.4 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540684 | CIF | C84 H72 Co N6 S2 | C 1 2/c 1 | 31.601; 21.039; 27.275 90; 121.629; 90 | 15440 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540685 | CIF | C84 H72 Co N6 S2 | C 1 2/c 1 | 31.601; 21.039; 27.275 90; 121.629; 90 | 15440 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540686 | CIF | C74 H64 Co N14 S2 | P -1 | 11.653; 13.567; 13.662 94.5; 94.78; 111.12 | 1994.1 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540695 | CIF | C21 H16 F N O6 S2 | P 1 21/n 1 | 11.045; 12.916; 14.84 90; 111.48; 90 | 1970 | Chen, Gui; Song, Jinshuai; Yu, Yinghua; Luo, Xuesong; Li, Chunsen; Huang, Xueliang Aminofluorination: transition-metal-free N–F bond insertion into diazocarbonyl compounds Chem. Sci., 2016, 7, 1786 |
| 1540697 | CIF | C27 H34 As Dy | P 1 21/n 1 | 8.1717; 24.8088; 11.6477 90; 94.354; 90 | 2354.52 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540698 | CIF | C70 H83 As3 Dy3 | C 1 c 1 | 14.9242; 18.6105; 23.7155 90; 103.461; 90 | 6406 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540699 | CIF | C99 H147 As3 Dy3 Li3 O9 | P 1 21/c 1 | 22.451; 15.8357; 28.0477 90; 95.47; 90 | 9926.3 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540700 | CIF | C70 H83 Dy3 Se3 | C 1 c 1 | 14.8845; 18.4953; 23.4214 90; 103.098; 90 | 6280 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540701 | CIF | C70 H83 Se3 Y3 | C 1 c 1 | 14.9029; 18.4253; 23.423 90; 103.035; 90 | 6266 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540707 | CIF | C21 H16 F2 N4 O4 | P b c a | 24.4634; 6.1982; 25.443 90; 90; 90 | 3857.9 | Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko Catalytic activation of a single C–F bond in trifluoromethyl arenes Chem. Sci., 2016, 7, 505 |
| 1540708 | CIF | C32 H38 Cs3 O6 | C 1 2/c 1 | 23.597; 14.073; 19.874 90; 93.283; 90 | 6588.9 | Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Supramolecular trap for a transient corannulene trianion Chem. Sci., 2016, 7, 1954 |
| 1540715 | CIF | C44 H44 N4 O23 Sr2 | I 41/a | 28.4784; 28.4784; 13.6334 90; 90; 90 | 11057 | Garai, Bikash; Mallick, Arijit; Banerjee, Rahul Photochromic metal‒organic frameworks for inkless and erasable printing Chem. Sci., 2016, 7, 2195 |
| 1540716 | CIF | C17 H19 F6 N2 O P S2 | P -1 | 7.645; 11.246; 12.326 95.39; 105.282; 93.459 | 1013.7 | Li, Dandan; Tian, Xiaohe; Wang, Aidong; Guan, Lijuan; Zheng, Jun; Li, Fei; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Nucleic acid-selective light-up fluorescent biosensors for ratiometric two-photon imaging of the viscosity of live cells and tissues Chem. Sci., 2016, 7, 2257 |
| 1540719 | CIF | C61 H44 Cl3 N7 O11 | P 21 21 21 | 9.617; 16.2; 37.85 90; 90; 90 | 5897 | Akdeniz, Ali; Minami, Tsuyoshi; Watanabe, Sagiri; Yokoyama, Maki; Ema, Tadashi; Anzenbacher, Pavel Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors Chem. Sci., 2016, 7, 2016 |
| 1540747 | CIF | C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2 | P 1 21/c 1 | 15.0884; 31.4527; 18.2241 90; 104.352; 90 | 8378.7 | Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin Cationic nickel porphyrinoids with unexpected reactivity Chem. Sci., 2016, 7, 583 |
| 1540748 | CIF | C42 H72 Fe K2 O15 S10 | P 1 n 1 | 9.666; 17.7362; 17.9259 90; 104.302; 90 | 2977.9 | Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci., 2016, 7, 416 |
| 1540749 | CIF | C56 H43 Fe N P2 S10 | P -1 | 9.5532; 16.9392; 19.2199 64.7735; 78.6184; 78.0782 | 2731.85 | Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci., 2016, 7, 416 |
| 1540750 | CIF | C38 H72 Fe N2 S10 | P 1 21/c 1 | 8.573; 32.0602; 17.6411 90; 98.509; 90 | 4795.3 | Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci., 2016, 7, 416 |
| 1541883 | CIF | C14 H22 O4 | P 21 21 21 | 7.2942; 12.3961; 13.909 90; 90; 90 | 1257.6 | Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene Chem. Sci., 2016, 7, 2717 |
| 1541884 | CIF | C24 H28 I N O9 | P 43 21 2 | 10.52245; 10.52245; 48.9522 90; 90; 90 | 5420.1 | Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene Chem. Sci., 2016, 7, 2717 |
| 1541885 | CIF | C23 H35 Au N O P | P 1 21/n 1 | 9.3038; 14.9607; 16.6489 90; 91.195; 90 | 2316.9 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541886 | CIF | C28 H43 Au N O P | P 21 21 21 | 10.7215; 13.536; 19.0499 90; 90; 90 | 2764.6 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541887 | CIF | C23 H35 Cu N O P | P 1 21/n 1 | 9.1985; 15.0111; 16.6696 90; 90.736; 90 | 2301.5 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541888 | CIF | C81 H129 Au3 N3 P | R 3 2 :H | 23.2392; 23.2392; 27.9791 90; 90; 120 | 13086 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541889 | CIF | C49 H79 Cu N5 O P | P 1 21/n 1 | 12.6627; 16.2794; 23.264 90; 98.409; 90 | 4744.1 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541890 | CIF | C46 H70 Cu N2 O2 P | P 1 21/n 1 | 9.4619; 13.4134; 16.9001 90; 101.411; 90 | 2102.5 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir–η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541891 | CIF | C46 H43 Au B F15 N O P | P 43 21 2 | 14.7478; 14.7478; 40.2121 90; 90; 90 | 8746 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541892 | CIF | C96 H86 B2 Cu2 F30 N2 O2 P2 | C 1 2/c 1 | 26.7657; 16.5433; 21.479 90; 107.104; 90 | 9090.1 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541893 | CIF | C42 H59 Co N3 O3 P | P -1 | 10.1044; 14.1614; 15.802 111.476; 93.948; 104.766 | 2001.36 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541894 | CIF | C30 H35 Ir N3 O2 P | P 1 21/n 1 | 13.7808; 12.3485; 16.5685 90; 96.53; 90 | 2801.2 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541896 | CIF | C40.05 H38.1 Cl2 Fe N10 O11.35 | P 1 21/n 1 | 14.1613; 21.6112; 15.3855 90; 114.339; 90 | 4290.1 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541897 | CIF | C36 H30 Cl2 Fe N10 O10 | P 1 21/c 1 | 15.717; 20.127; 24.672 90; 90.353; 90 | 7804 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541898 | CIF | C39.75 H37.5 Cl2 Fe N10 O11.25 | P 1 21/n 1 | 14.165; 21.596; 15.414 90; 114.29; 90 | 4298 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541899 | CIF | C36 H30 Cl2 Fe N10 O10 | P 1 21/c 1 | 15.679; 20.102; 24.601 90; 90.221; 90 | 7754 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541900 | CIF | C39 H36 Cl2 Fe N10 O11 | P -1 | 13.073; 13.356; 14.075 71.88; 69.89; 70.65 | 2122.8 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541901 | CIF | C36 H30 Cl2 Fe N10 O10 | P 1 21/c 1 | 15.7; 20.035; 24.638 90; 90.45; 90 | 7750 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541902 | CIF | C39 H36 Cl2 Fe N10 O11 | P -1 | 13.0297; 13.2995; 14.0177 71.801; 69.822; 70.752 | 2097.8 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541903 | CIF | C39 H36 Cl2 Fe N10 O11 | P -1 | 12.906; 13.199; 14.759 71.402; 68.242; 67.214 | 2107 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541904 | CIF | C39 H36 Cl2 Fe N10 O11 | P -1 | 13.085; 13.381; 14.139 72.092; 69.882; 70.219 | 2135.6 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541905 | CIF | C59 H60 Al F6 N3 O2 | P -1 | 10.2264; 15.4589; 17.0819 73.0848; 88.2081; 86.3652 | 2578.2 | Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci., 2016, 7, 2728 |
| 1541906 | CIF | C51 H55 Al F3 N3 O | P -1 | 11.2001; 12.4244; 18.0337 101.41; 98.4568; 114.494 | 2163.42 | Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci., 2016, 7, 2728 |
| 1541915 | CIF | C80 H56 Co N2 O4 | P 1 21/c 1 | 11.4437; 8.9623; 29.228 90; 94.705; 90 | 2987.6 | Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands Chem. Sci., 2016, 7, 2793 |
| 1541916 | CIF | C81 H55 Cl3 Co N2 O4 | P 1 21/n 1 | 17.249; 16.9; 22.44 90; 108.612; 90 | 6199.3 | Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands Chem. Sci., 2016, 7, 2793 |
| 1541917 | CIF | C92 H89 N O20 Zn2 | I 1 2 1 | 18.9677; 19.9186; 31.739 90; 95.287; 90 | 11940.3 | Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid Chem. Sci., 2016, 7, 3085 |
| 1541930 | CIF | C18 H92 N18 Ni3 O52 Sb6 V15 | C 1 2 1 | 18.2404; 22.7636; 14.3542 90; 126.449; 90 | 4794.2 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541931 | CIF | C18 H90 Co3 N18 O51 Sb6 V15 | C 1 2 1 | 18.2302; 22.6142; 14.4067 90; 126.36; 90 | 4783 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541932 | CIF | C18 H90 Fe3 N18 O51 Sb6 V15 | C 1 2 1 | 18.1991; 22.626; 14.3614 90; 126.193; 90 | 4772.5 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541933 | CIF | C18 H72 N18 Ni3 O42 Sb6 V15 | P 3 2 1 | 23.7437; 23.7437; 14.9586 90; 90; 120 | 7303.3 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1542253 | CIF | C90.09 H108.55 Cl24.19 N12 O6.18 Pd6 | I 21 3 | 31.4049; 31.4049; 31.4049 90; 90; 90 | 30973.6 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
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