Crystallography Open Database
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| 1514731 | CIF | C35 H33 B2 F8 N2 P Pt S2 | P 1 21/c 1 | 10.295; 9.8283; 34.0318 90; 94.67; 90 | 3431.99 | Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A. Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands Chemical Science, 2013, 4, 4193 |
| 1514732 | CIF | C30 H42 N2 Si | P 1 21/a 1 | 15.1354; 9.24; 20.128 90; 101.781; 90 | 2755.63 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
| 1514733 | CIF | C38 H58 Mg N2 O2 Si | P -1 | 11.294; 12.168; 13.604 96.759; 90.61; 90.961 | 1856.13 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
| 1514734 | CIF | C44 H68 Mg N2 O3.5 Si | P 1 21/n 1 | 10.031; 30.017; 16.556 90; 104.903; 90 | 4817.34 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
| 1514735 | CIF | C49 H72 Ca N2 O3 Si | P 1 21/n 1 | 10.2642; 22.7621; 20.7835 90; 98.249; 90 | 4805.5 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
| 1514736 | CIF | C46 H71 N2 O4 Si Sr | P 1 21 1 | 10.37; 18.852; 12.632 90; 113.607; 90 | 2262.83 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
| 1514737 | CIF | C20 H18 F3 N3 O3 | C 1 2/c 1 | 27.371; 7.0453; 18.8951 90; 99.01; 90 | 3598.7 | Lee, Min Hee; Yoon, Byungkwon; Kim, Jong Seung; Sessler, Jonathan L. Naphthalimide trifluoroacetyl acetonate: a hydrazine-selective chemodosimetric sensor Chemical Science, 2013, 4, 4121 |
| 1514738 | CIF | C47 H77 N2 Na O3 Zn | P 21 21 21 | 11.948; 15.878; 24.9404 90; 90; 90 | 4731.5 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
| 1514739 | CIF | C35 H54 N2 Zn | P -1 | 9.7795; 10.1033; 20.1669 90.336; 103.989; 118.932 | 1674.4 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
| 1514740 | CIF | C71 H127 N2 Na O7 Zn2 | P 1 21/c 1 | 12.5177; 33.2445; 18.2146 90; 100.694; 90 | 7448.3 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
| 1514741 | CIF | C39 H63 Li N2 Zn | P b c a | 21.8628; 22.1892; 31.9347 90; 90; 90 | 15492.1 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
| 1514742 | CIF | C45 H50 Au2 Cl N2 P | P -1 | 9.2833; 14.4759; 16.9188 68.109; 81.38; 86.27 | 2085.74 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
| 1514743 | CIF | C18 H12 Br F3 O2 | P 1 21 1 | 11.822; 47.948; 12.119 90; 104.545; 90 | 6649 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
| 1514744 | CIF | C22 H19 F3 O2 | P 1 21 1 | 6.039; 27.449; 11.299 90; 104.404; 90 | 1814 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
| 1514745 | CIF | C19 H20 N2 S | P 21 21 21 | 7.934; 10.719; 18.419 90; 90; 90 | 1566.4 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
| 1514746 | CIF | C18 H17 F3 O2 | C 1 2 1 | 19.358; 9.419; 8.186 90; 90.979; 90 | 1492.4 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
| 1514747 | CIF | C31 H32 Cl2 N2 O4 | P -1 | 8.3666; 10.8236; 17.2119 84.42; 79.713; 75.288 | 1481.1 | Ghorai, Suman; Sumrak, Joseph C.; Hutchins, Kristin M.; Bučar, Dejan-Krešimir; Tivanski, Alexei V.; MacGillivray, Leonard R. From co-crystals to functional thin films: photolithography using [2+2] photodimerization Chemical Science, 2013, 4, 4304 |
| 1514748 | CIF | C160 H178 Cd3 N14 O27 Ti4 | P 6 2 2 | 32.0273; 32.0273; 29.1427 90; 90; 120 | 25888.2 | Xuan, Weimin; Ye, Chengcheng; Zhang, Mengni; Chen, Zhijie; Cui, Yong A chiral porous metallosalan-organic framework containing titanium-oxo clusters for enantioselective catalytic sulfoxidation Chemical Science, 2013, 4, 3154 |
| 1514749 | CIF | C24 H16 B2 O3 | P 1 21/n 1 | 9.4797; 45.49; 21.7415 90; 92.764; 90 | 9364.7 | Dimitrijević, Elena; Taylor, Mark S. 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols Chemical Science, 2013, 4, 3298 |
| 1514750 | CIF | C26 H22 B2 N2 O | P b c a | 10.6981; 14.3379; 26.3743 90; 90; 90 | 4045.5 | Dimitrijević, Elena; Taylor, Mark S. 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols Chemical Science, 2013, 4, 3298 |
| 1514751 | CIF | C39 H41 F12 N7 O0 P2 | P 1 21/n 1 | 12.9199; 15.8918; 20.2181 90; 95.307; 90 | 4133.4 | Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes. Metallomics : integrated biometal science, 2014, 6, 1460-1468 |
| 1514752 | CIF | C47 H97 N O6 S Si9 | P -1 | 13.583; 15.995; 16.961 110.618; 111.892; 93.2 | 3125.1 | Brady, Patrick B.; Albert, Brian J.; Akakura, Matsujiro; Yamamoto, Hisashi Controlling stereochemistry in polyketide synthesis: 1,3- vs. 1,2-asymmetric induction in methyl ketone aldol additions to β-super siloxy aldehydes Chemical Science, 2013, 4, 3223 |
| 1514753 | CIF | C30 H34 Ag F6 N5 P | I b a m | 17.9559; 18.8882; 17.9394 90; 90; 90 | 6084.2 | Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes. Metallomics : integrated biometal science, 2014, 6, 1460-1468 |
| 1514754 | CIF | C79.5 H115.5 Co3 N8.5 O34.5 | P n m a | 17.564; 25.629; 20.8 90; 90; 90 | 9363 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
| 1514755 | CIF | C79.5 H109.5 Co3 N8.5 O31.5 | P n m a | 17.5608; 25.3474; 20.8804 90; 90; 90 | 9294.3 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
| 1514756 | CIF | C78 H106 Co3 N8 O31 | P n m a | 17.446; 27.758; 18.762 90; 90; 90 | 9086 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
| 1514757 | CIF | C122 H178 Co6 N14 O46 | I m -3 | 27.2496; 27.2496; 27.2496 90; 90; 90 | 20233.9 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
| 1514758 | CIF | C30 H35 Au F6 N5 O0 P | I b a m | 18.7883; 17.8671; 18.1775 90; 90; 90 | 6102 | Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes. Metallomics : integrated biometal science, 2014, 6, 1460-1468 |
| 1514759 | CIF | C18 H18 I2 O2 | P 21 21 21 | 7.7537; 8.7833; 28.0793 90; 90; 90 | 1912.29 | Gómez-Bengoa, Enrique; García, Jesús M.; Jiménez, Sandra; Lapuerta, Irati; Mielgo, Antonia; Odriozola, José M.; Otazo, Itziar; Razkin, Jesús; Urruzuno, Iñaki; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio Asymmetric synthesis of propargylic alcohols via aldol reaction of aldehydes with ynals promoted by prolinol ether–transition metal–Brønsted acid cooperative catalysis Chemical Science, 2013, 4, 3198 |
| 1514760 | CIF | C28 H34 F12 N4 P2 | P 1 21/c 1 | 8.66; 19.8775; 11.7276 90; 130.999; 90 | 1523.62 | Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes. Metallomics : integrated biometal science, 2014, 6, 1460-1468 |
| 1514761 | CIF | C13 H14 O3 | P b c a | 10.2738; 11.207; 19.0373 90; 90; 90 | 2191.93 | Farmer, Rebecca L.; Scheidt, Karl A. A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3304-3309 |
| 1514762 | CIF | C95 H74 B Cl6 O4 P2 Rh | P 1 21/c 1 | 19.3718; 20.1092; 21.506 90; 93.7932; 90 | 8359.34 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
| 1514763 | CIF | C98 H80 B Cl6 O5 P2 Rh | P 21 21 21 | 15.7224; 20.2138; 25.7426 90; 90; 90 | 8181.2 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
| 1514764 | CIF | C96 H76 B Cl8 O4 P2 Rh | P 1 21 1 | 11.8286; 25.5279; 14.3047 90; 111.974; 90 | 4005.65 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
| 1514765 | CIF | C200 H256 Si8 | P 1 2/n 1 | 16.179; 17.461; 32.012 90; 95.835; 90 | 8997 | Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki Bottom-up synthesis and structures of π-lengthened tubular macrocycles Chemical Science, 2013, 4, 3179 |
| 1514766 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 22.0395; 16.0165; 39.3819 90; 90; 90 | 13901.6 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
| 1514767 | CIF | C54 H62 Br6 Dy N9 O10 Zn2 | P b c a | 20.5186; 16.4699; 37.585 90; 90; 90 | 12701.4 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
| 1514768 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 21.893; 15.9613; 39.306 90; 90; 90 | 13735.1 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
| 1514769 | CIF | C67 H101 Ag2 F3 N4 O6 S | P -1 | 10.5882; 16.8592; 20.8 74.883; 79.955; 76.103 | 3454.7 | Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P. A dinuclear silver hydride and an umpolung reaction of CO2 Chemical Science, 2013, 4, 3068 |
| 1514770 | CIF | C63 H93 Ag2 F3 N4 O5 S | P 1 21/n 1 | 14.8245; 23.508; 19.9054 90; 110.118; 90 | 6513.7 | Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P. A dinuclear silver hydride and an umpolung reaction of CO2 Chemical Science, 2013, 4, 3068 |
| 1514771 | CIF | C44 H38 F6 N4 O8 S2 | P -1 | 11.445; 12.104; 17.978 77.35; 76.4; 65.63 | 2184 | Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core Chemical Science, 2013, 4, 3288 |
| 1514772 | CIF | C40 H28 N4 S2 | P 1 21/c 1 | 9.6569; 10.14; 18.898 90; 118.42; 90 | 1627.5 | Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core Chemical Science, 2013, 4, 3288 |
| 1514773 | CIF | C24 H14 | P 1 21/c 1 | 11.6522; 5.4552; 11.4821 90; 90.607; 90 | 729.82 | Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian Revisiting zethrene: synthesis, reactivity and semiconductor properties Chemical Science, 2013, 4, 3294 |
| 1514774 | CIF | C216 H289 Cl2 Gd36 N51 O193 | P -1 | 21.545; 23.046; 23.372 94.535; 115.193; 115.679 | 8956 | Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun Two polymeric 36-metal pure lanthanide nanosize clusters Chemical Science, 2013, 4, 3104 |
| 1514775 | CIF | C216 H289 Cl2 Dy36 N51 O193 | P -1 | 21.545; 22.886; 23.17 94.32; 115.373; 115.639 | 8817 | Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun Two polymeric 36-metal pure lanthanide nanosize clusters Chemical Science, 2013, 4, 3104 |
| 1514776 | CIF | C38 H42 Cl2 N4 O7 S Si | P 21 21 21 | 9.7839; 16.5231; 24.2524 90; 90; 90 | 3920.7 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
| 1514777 | CIF | C32.33 H36.66 Cl0.66 N4 O10 S Si | P 1 | 13.7346; 16.0038; 17.3585 100.01; 92.214; 108.59 | 3543.2 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
| 1514778 | CIF | C45 H50 N4 O14 S | P 1 21 1 | 12.8803; 10.3954; 16.5478 90; 90.063; 90 | 2215.7 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
| 1514779 | CIF | C29 H21 N5 O6 S2 | P 1 21 1 | 11.6928; 11.2669; 20.6483 90; 96.676; 90 | 2701.8 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
| 1514780 | CIF | C28 H32 F9 La N9 O10 P S4 | P 1 21/n 1 | 11.106; 16.93; 22 90; 91.61; 90 | 4134.9 | Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes Chemical Science, 2013, 4, 3717 |
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