Crystallography Open Database
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Searching year of publication is 2016
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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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 |
1540558 | CIF | C40.75 H30.5 Au Cl1.5 Cr N O9 P S | P -1 | 13.4225; 14.2249; 24.728 74.619; 89.572; 62.126 | 3986.3 | Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V. First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111). Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1422-1429 |
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 |
1540582 | CIF | C26.75 H24 F3 N O2 | P -1 | 9.6325; 13.413; 18.8693 96.651; 91.573; 109.521 | 2276.6 | Boerth, Jeffrey A.; Ellman, Jonathan A. Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes. Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1474-1479 |
1540583 | CIF | C54 H31 B F20 N O Rh | P -1 | 11.854; 13.0781; 16.154 79.702; 80.128; 73.163 | 2339.2 | Boerth, Jeffrey A.; Ellman, Jonathan A. Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes. Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1474-1479 |
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 |
1540587 | CIF | Co2.581 F6 Mn0.419 O6 Sb4 | I -4 3 m | 8.1809; 8.1809; 8.1809 90; 90; 90 | 547.524 | Svengren, H.; Torapava, N.; Athanassiadis, I.; Ali, S. I.; Johnsson, M. A transition metal oxofluoride offering advantages in electrocatalysis and potential use in applications. Faraday discussions, 2016, 188, 481-498 |
1540650 | CIF | C16 H26 Br2 Fe N4 | P 1 21/c 1 | 7.7264; 17.285; 14.927 90; 94.081; 90 | 1988.5 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
1540651 | CIF | C11 H24 Br2 Fe N4 | P n a 21 | 16.3535; 12.5257; 7.6117 90; 90; 90 | 1559.2 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
1540652 | CIF | C27 H63 Br6 Fe3 N9 | P b c a | 22.0243; 16.0659; 23.6931 90; 90; 90 | 8383.6 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
1540653 | CIF | C30 H47 Cl N2 Pd | P 1 21/n 1 | 15.919; 11.3592; 17.894 90; 114.701; 90 | 2939.7 | Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end Polym. Chem., 2016, 7, 529 |
1540654 | CIF | C64 H62 B F24 N3 O0.5 Pd | P -1 | 12.1356; 13.0597; 22.3007 103.235; 98.496; 101.575 | 3300.29 | Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end Polym. Chem., 2016, 7, 529 |
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 |
1540663 | CIF | C44 H40 N8 O8 Zn2 | C 1 2/c 1 | 12.0935; 34.0051; 31.9458 90; 93.564; 90 | 13112 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
1540664 | CIF | C60 H88 N12 O18 Zn2 | P 1 21/c 1 | 19.5006; 20.5981; 18.7188 90; 116.064; 90 | 6754.2 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
1540665 | CIF | C22 H20 N4 O4 Zn | P b c a | 18.6866; 15.8553; 22.302 90; 90; 90 | 6607.7 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
1540666 | CIF | C37 H35 N4 O4 Zn | P 1 21/c 1 | 9.987; 22.605; 17.815 90; 121.513; 90 | 3429 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
1540667 | CIF | C60 H81 N9 O13 Zn2 | P 1 21/n 1 | 10.3361; 20.4349; 16.2418 90; 91.807; 90 | 3428.8 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
1540668 | CIF | C41 H39 Cr Fe3 O5 P | C 1 2/c 1 | 20.142; 15.184; 25.001 90; 104.581; 90 | 7400 | Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867 |
1540669 | CIF | C41 H39 Fe3 Mo O5 P | C 1 2/c 1 | 20.3; 15.312; 25.118 90; 104.367; 90 | 7563 | Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867 |
1540670 | CIF | C17 H15 Fe O5 P W | P 1 21/c 1 | 20.416; 7.239; 25.066 90; 97.888; 90 | 3669 | Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867 |
1540671 | CIF | C29 H27 Fe2 O5 P W | P 1 21/c 1 | 17.504; 12.9315; 12.708 90; 109.26; 90 | 2715.5 | Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867 |
1540672 | CIF | C41 H39 Fe3 O5 P W | C 1 2/c 1 | 20.307; 15.287; 25.101 90; 104.391; 90 | 7548 | Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867 |
1540673 | CIF | C32 H30 Cu2 N4 O23 P2 W5 | F d d 2 | 19.005; 42.763; 10.6834 90; 90; 90 | 8682.5 | Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1631-1637 |
1540674 | CIF | C60 H74 Cu3 N12 O52 W12 | P 1 21/c 1 | 12.796; 25.625; 16.112 90; 119.955; 90 | 4577 | Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1631-1637 |
1540675 | CIF | C51 H33 Au N6 O2 | P -1 | 8.6926; 15.5671; 15.6537 106.257; 106.034; 95.639 | 1918.7 | Sinha, Woormileela; Sommer, Michael G.; van der Meer, Margarethe; Plebst, Sebastian; Sarkar, Biprajit; Kar, Sanjib Structural, electrochemical and spectroelectrochemical study on the geometric and electronic structures of [(corrolato)Au(III)](n) (n = 0, +1, -1) complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2914-2923 |
1540676 | CIF | O48 Si24 | P 1 21/n 1 | 19.866; 20.099; 13.362 90; 90.6; 90 | 5335 | Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci., 2016, 9, 1050 |
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