Crystallography Open Database
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Searching journal of publication like 'Chemical Science' volume of publication is 4
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1514715 | CIF | C16 H12 N O2 S | P 1 | 6.0479; 8.1021; 14.5564 81.543; 83.748; 72.375 | 670.83 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514716 | CIF | C13 H13 F3 N2 O4 S | P -1 | 6.2339; 8.9683; 14.0067 81.624; 89.228; 75.671 | 750.42 | Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents Chemical Science, 2013, 4, 2177 |
1514717 | CIF | C15 H17 F3 N2 O4 S | P 1 21/c 1 | 9.6013; 7.0186; 25.4572 90; 92.806; 90 | 1713.44 | Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents Chemical Science, 2013, 4, 2177 |
1514718 | CIF | C37 H49.95 Ga Mn N2 O2 | P 1 21/n 1 | 10.1814; 20.4882; 16.7346 90; 103.158; 90 | 3399.16 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514719 | CIF | C34 H41 Ga Mo N2 O5 | P 43 21 2 | 9.083; 9.083; 41.8928 90; 90; 90 | 3456.19 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514720 | CIF | C34 H41 Ga N2 O5 W | P b n m | 9.15777; 35.5896; 21.105 90; 90; 90 | 6878.57 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514721 | CIF | C36 H41 Co2 Ga N2 O7 | P -1 | 8.8239; 19.5134; 21.404 90.0148; 89.9906; 90.0029 | 3685.43 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514722 | CIF | C33 H42 Ga Mn N2 O4 | P 1 21/m 1 | 8.86; 21.5544; 9.0818 90; 108.601; 90 | 1643.77 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514723 | CIF | C33 H41 Cl Co Ga N2 O4 | C 1 2/c 1 | 21.4272; 16.8902; 21.5723 90; 108.729; 90 | 7393.79 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514724 | CIF | C37 H48 Ga Mn N2 O2 | P -1 | 8.8327; 18.3781; 20.6752 90.0077; 90.0065; 85.7423 | 3346.91 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514725 | CIF | C65 H53 B Co F24 Ga N2 O4 | P -1 | 12.5663; 13.2686; 20.7262 78.4857; 83.9447; 83.4912 | 3352.25 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514726 | CIF | C16 H16 O4 S | P -1 | 10.8453; 12.173; 12.2364 109.364; 106.53; 98.626 | 1406.8 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514727 | CIF | C16 H14 Cl2 O4 | P -1 | 3.9099; 13.413; 14.207 82.606; 86.888; 82.453 | 731.9 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514728 | CIF | C34 H30 Au O4 P S2 | P c a 21 | 23.574; 11.1504; 23.342 90; 90; 90 | 6135.7 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514729 | CIF | C15.5 H15 Cl3 N2 Pt S | P -1 | 9.6661; 13.0872; 15.6977 111.029; 90.575; 108.683 | 1738.24 | 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 |
1514730 | CIF | C35 H33 B Cl F4 N2 P Pt S2 | P -1 | 9.4153; 12.0408; 16.6958 102.425; 100.136; 104.304 | 1737.82 | 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 |
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 |
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 |
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 |
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 |
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 |
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 |
1514781 | CIF | C54 H61 F18 N19 O19 P2 S8 Sm2 | P 1 21/c 1 | 9.764; 19.857; 22.899 90; 97.37; 90 | 4403.1 | 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 |
1514782 | CIF | C30 H33 F9 N12 O9 P Pu S4 | P -1 | 13.2866; 13.3751; 13.849 83.93; 70.156; 80.123 | 2277.65 | 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 |
1514783 | CIF | C17 H20 N4 Ni | P 1 21/c 1 | 14.9461; 7.3243; 15.6793 90; 112.463; 90 | 1586.18 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514784 | CIF | C36 H40 F6 N8 Ni2 O6 S2 | P -1 | 10.076; 10.6657; 19.6623 90.05; 97.94; 105.384 | 2016.3 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514785 | CIF | C25 H36 K N4 Ni O2 | P 1 21/n 1 | 10.5982; 12.3634; 19.8165 90; 95.155; 90 | 2586 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514786 | CIF | C23 H29 F12 N7 Ni P2 | C 1 c 1 | 9.223; 23.7522; 15.2139 90; 107.35; 90 | 3181.2 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514787 | CIF | C35 H56 K N6 Ni O6 | P 1 21/c 1 | 12.7277; 21; 28.837 90; 99.126; 90 | 7610 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514788 | CIF | C70 H106 K2 N12 Ni O12 | C 1 2/c 1 | 34.46; 10.852; 23.144 90; 100.903; 90 | 8499 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514789 | CIF | C31 H22 N2 | P b c a | 9.7242; 17.6641; 25.6425 90; 90; 90 | 4404.59 | Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics Chemical Science, 2013, 4, 3725 |
1514790 | CIF | C17 H15 N O | P 1 21/c 1 | 9.1485; 13.8946; 10.4647 90; 102.948; 90 | 1296.4 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514791 | CIF | C19.5 H18.5 Cl2.5 N O | P 1 21/c 1 | 23.247; 9.9836; 16.0069 90; 90.649; 90 | 3714.8 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514792 | CIF | C16 H14 Cl3 N O2 | P b c a | 9.7761; 14.7382; 24.0669 90; 90; 90 | 3467.6 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514793 | CIF | C17 H15 N O2 | P 21 21 21 | 6.4122; 12.077; 16.676 90; 90; 90 | 1291.4 | Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro One-shot indole-to-carbazole π-extension by a Pd‒Cu‒Ag trimetallic system Chemical Science, 2013, 4, 3416 |
1514794 | CIF | C24.5 H28.5 Cl1.5 N4 O6 Ru | P 1 21/c 1 | 8.906; 17.7086; 17.021 90; 91.073; 90 | 2684 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514795 | CIF | C34 H31 Cl3 N4 O6 Ru | C 1 2/c 1 | 23.297; 12.4626; 25.803 90; 115.977; 90 | 6734.8 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514796 | CIF | C66 H58 Cl4 Co2 N8 O21 | P -1 | 9.1898; 11.3905; 16.2931 78.018; 82.142; 76.846 | 1617.39 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514797 | CIF | C14 H17 Br N2 O4 S | P 21 21 21 | 7.6678; 13.5683; 14.958 90; 90; 90 | 1556.2 | Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes Chemical Science, 2013, 4, 3427 |
1514798 | CIF | C21 H18 Cu N5 O4 | P 1 21/c 1 | 9.876; 9.295; 22.594 90; 106.8; 90 | 1985.5 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514799 | CIF | C20 H16 Cu N5 O4 | P 1 21/c 1 | 9.399; 9.848; 21.834 90; 102.09; 90 | 1976.2 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514800 | CIF | C21 H18 Cu N5 O4 | P 1 21/c 1 | 9.93; 9.3445; 22.717 90; 106.94; 90 | 2016.5 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514801 | CIF | C24 H28 Cl3 N O6 Pd S | P 1 21 1 | 9.3736; 15.178; 10.1053 90; 107.302; 90 | 1372.7 | Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts Chemical Science, 2013, 4, 3753 |
1514802 | CIF | C45 H51 N3 P3 V | P -1 | 10.0198; 11.1462; 19.6789 85.018; 79.607; 74.258 | 2078.99 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514803 | CIF | C48 H57 Fe I N3 O0.75 P3 V | P -1 | 10.7003; 22.3479; 22.519 62.001; 81.313; 88.637 | 4693.3 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514804 | CIF | C48 H60 Fe N3 P4 V | P -3 c 1 | 16.3841; 16.3841; 22.8729 90; 90; 120 | 5317.4 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514805 | CIF | C60 H69 Fe N4 P4 V | P 1 21/c 1 | 13.0944; 14.5742; 28.469 90; 95.9356; 90 | 5403.9 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514806 | CIF | C48 H57 F Fe I N3 O0.75 P3 V | P -1 | 10.7611; 22.0867; 22.4678 63.268; 80.585; 85.642 | 4705.1 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514807 | CIF | C10 H20 Cl2 N4 Ni | P 1 21/n 1 | 8.0672; 13.6398; 12.88 90; 100.756; 90 | 1392.4 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514808 | CIF | C6 H13 Cl2 N2 P | P b c a | 7.768; 12.985; 19.423 90; 90; 90 | 1959.1 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514809 | CIF | C11 H15 Cl2 N2 P | C 1 2/c 1 | 19.24; 11.531; 15.038 90; 128.66; 90 | 2605.2 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514810 | CIF | C5 H10 Cl3 N2 P | P 1 21/c 1 | 11.4381; 7.717; 12.979 90; 122.697; 90 | 964.09 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514811 | CIF | C10 H20 Cl2 N4 Pd | P 1 21/n 1 | 8.9858; 12.0174; 13.4315 90; 104.706; 90 | 1402.9 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514812 | CIF | C5 H11 F4 N2 P | P -1 | 7.375; 7.56; 8.6846 74.688; 76.04; 62.6 | 410.6 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514813 | CIF | C5 H10 Cl4 N2 Si | P b c a | 12.8424; 12.65; 13.2356 90; 90; 90 | 2150.21 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514814 | CIF | C26 H18 Fe | P -1 | 7.1257; 9.7812; 14.6087 74.587; 81.231; 70.49 | 922.94 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514815 | CIF | C25 H21 Fe N3 | P 1 21 1 | 11.3194; 5.7682; 14.8959 90; 94.364; 90 | 969.77 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514816 | CIF | C24 H18 Fe | P 1 21/c 1 | 21.166; 9.936; 8.1878 90; 92.968; 90 | 1719.6 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514817 | CIF | C18 H12 O2 | C 1 c 1 | 20.7703; 20.6316; 23.952 90; 102.233; 90 | 10031 | Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones Chemical Science, 2013, 4, 526 |
1514818 | CIF | C10 H17 Cl N4 Ni O6 | P 1 21/n 1 | 7.3309; 16.9368; 12.1796 90; 95.441; 90 | 1505.43 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514819 | CIF | C22 H40 Cl2 N8.5 Ni O10 Zn | P 1 21/n 1 | 11.5005; 20.8961; 14.2514 90; 109.637; 90 | 3225.65 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514820 | CIF | C22 H42 Cl2 N8 Ni O10 Zn | P 1 21/n 1 | 11.5533; 22.0368; 12.9726 90; 104.81; 90 | 3193.1 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514821 | CIF | C21 H40 Cl N7 Ni O8 Zn | C 1 2/c 1 | 18.853; 18.337; 16.409 90; 90.05; 90 | 5673 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514822 | CIF | C19 H37 Cl N8 Ni O8 Zn | P 1 | 8.5274; 12.4106; 13.0776 98.754; 96.004; 90.074 | 1360.17 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514823 | CIF | C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 | P -1 | 11.7327; 15.5512; 17.9328 67.784; 71.146; 77.96 | 2852.6 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514824 | CIF | C61 H89 B N7 Ni O6.5 Zn | P -1 | 11.9784; 19.7901; 26.294 104.912; 91.396; 98.3 | 5947.7 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514825 | CIF | C77 H100 B N7 Ni O6 P Zn | P 1 21/c 1 | 21.7065; 13.6234; 24.045 90; 90.533; 90 | 7110.2 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514826 | CIF | C55 H74 B N7 Ni O5 Zn | P 1 21/c 1 | 17.2117; 12.9449; 24.7109 90; 101.43; 90 | 5396.5 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514827 | CIF | C57 H72 N14 O15 | P -1 | 14.1445; 14.338; 16.719 86.271; 81.687; 61.358 | 2944.5 | Moore, Stephen J.; Haynes, Cally J. E.; González, Jorge; Sutton, Jennifer L.; Brooks, Simon J.; Light, Mark E.; Herniman, Julie; Langley, G. John; Soto-Cerrato, Vanessa; Pérez-Tomás, Ricardo; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas Chemical Science, 2013, 4, 103 |
1514828 | CIF | C38 H33 Co F9 N8 O6 S2 | C 1 2/c 1 | 23.898; 15.593; 23.95 90; 109.468; 90 | 8414.5 | Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J. Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers Chemical Science, 2013, 4, 118 |
1514830 | CIF | C20 H18 Fe O4 Si | P 1 21 1 | 7.151; 29.386; 9.6851 90; 100.773; 90 | 1999.4 | Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle Chemical Science, 2013, 4, 238 |
1514831 | CIF | C25 H38 O2 Si2 | P 1 21/n 1 | 12.129; 8.192; 26.318 90; 102.587; 90 | 2552.1 | Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle Chemical Science, 2013, 4, 238 |
1514832 | CIF | C30 H52 Fe N2 Si2 | P -1 | 8.8101; 9.1759; 11.1624 102.467; 92.503; 113.932 | 796.59 | Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R. Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes Chemical Science, 2013, 4, 125 |
1514833 | CIF | C60 H76 Fe0.93 N2 | P 1 21/n 1 | 10.8937; 20.234; 11.2231 90; 90.829; 90 | 2473.6 | Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R. Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes Chemical Science, 2013, 4, 125 |
1514834 | CIF | C18.87 H19.16 N2 O2 Zn | I b c a | 13.9562; 23.5904; 23.5858 90; 90; 90 | 7765.2 | He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds Chemical Science, 2013, 4, 351 |
1514835 | CIF | C12 H10 N2 O2 Zn | I b c a | 13.9249; 23.653; 23.637 90; 90; 90 | 7785.2 | He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds Chemical Science, 2013, 4, 351 |
1514836 | CIF | C58 H60 Au2 I2 O2 P4 | P -1 | 11.83; 11.9725; 12.3591 65.098; 69.838; 65.309 | 1411.99 | Lim, Sang Ho; Olmstead, Marilyn M.; Balch, Alan L. Inorganic topochemistry. Vapor-induced solid state transformations of luminescent, three-coordinate gold(i) complexes Chemical Science, 2013, 4, 311 |
1514837 | CIF | C51 H62 N3 Ni | P 1 21/n 1 | 12.2859; 20.3988; 17.3454 90; 99.232; 90 | 4290.8 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514838 | CIF | C59 H78 Cl4 N3 Ni | P 1 21/c 1 | 21.2763; 10.7269; 24.4104 90; 97.053; 90 | 5529 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514839 | CIF | C87 H84 B F24 N3 Ni O | P 1 21/n 1 | 12.9077; 34.624; 19.65 90; 107.756; 90 | 8363.6 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514840 | CIF | C197 H204 B2 F48 N6 Ni2 O4 | P -1 | 14.7621; 16.7885; 21.465 102.291; 106.901; 105.812 | 4644.3 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514841 | CIF | C93 H96 B F24 N3 Ni O | P 1 21/c 1 | 12.7476; 20.1891; 33.921 90; 90.696; 90 | 8729.4 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514842 | CIF | C30 H27 B F15 O2 P S | P 1 21/c 1 | 9.4942; 29.0008; 11.5368 90; 90.018; 90 | 3176.5 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514843 | CIF | C33 H28 B F10 O2 P S | P -1 | 13.2898; 13.3521; 22.579 73.392; 73.073; 83.328 | 3670.7 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514844 | CIF | C36 H32 B F10 O2 P S | P -1 | 10.5993; 11.865; 14.4165 92.7; 95.322; 111.03 | 1678.66 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514845 | CIF | C76 H162 Cu6 N12 O88.66 V30 | P 31 2 1 | 20.411; 20.411; 40.34 90; 90; 120 | 14554 | Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters Chemical Science, 2013, 4, 418 |
1514846 | CIF | C10 H30 N2 O12 S5 V | P -1 | 9.4145; 11.119; 13.183 67.27; 77.71; 89.25 | 1240 | Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters Chemical Science, 2013, 4, 418 |
1514849 | CIF | C24.5 H33 Cl N4 O8 Pd2 S2 | P 21 21 21 | 8.4525; 15.486; 46.184 90; 90; 90 | 6045.3 | Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C. Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives Chemical Science, 2013, 4, 175 |
1514850 | CIF | C19 H24 N2 O6 S | P 21 21 21 | 9.8306; 17.0929; 24.3215 90; 90; 90 | 4086.8 | Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C. Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives Chemical Science, 2013, 4, 175 |
1514851 | CIF | C106 H115 Cl N8 O11 | P -1 | 13.258; 20.3837; 26.4826 85.599; 81.344; 81.232 | 6982 | Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel Lanthanide appended rotaxanes respond to changing chloride concentration Chemical Science, 2013, 4, 489 |
1514852 | CIF | C70 H126 Lu4 N16 Na4 O43 | P 1 2/c 1 | 18.0616; 14.969; 18.2262 90; 108.69; 90 | 4667.84 | Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel Lanthanide appended rotaxanes respond to changing chloride concentration Chemical Science, 2013, 4, 489 |
1514853 | CIF | C26 H16 O5 S8 | P -1 | 6.06; 12.255; 19.535 79.509; 81.926; 76.549 | 1380.07 | Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Duarte, M. Teresa; Veciana, Jaume; Rovira, Concepció Intramolecular electron transfer in the photodimerisation product of a tetrathiafulvalene derivative in solution and on a surface Chemical Science, 2013, 4, 307 |
1515358 | CIF | C10 H14 Cl2 Ru S | P 1 21/n 1 | 7.0069; 12.8404; 12.4298 90; 92.9276; 90 | 1116.87 | Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin Direct observation of a cationic ruthenium complex for ethylene insertion polymerization Chemical Science, 2013, 4, 2902 |
1515359 | CIF | C12 H20 Ru S | P 1 21/n 1 | 6.8375; 13.5463; 12.8712 90; 93.878; 90 | 1189.44 | Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin Direct observation of a cationic ruthenium complex for ethylene insertion polymerization Chemical Science, 2013, 4, 2902 |
1515360 | CIF | C13 H19 Cl N2 S | P b c n | 13.987; 8.17; 24.959 90; 90; 90 | 2852 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515361 | CIF | C13 H19 N3 O2 S | P -1 | 5.2833; 14.9019; 18.0119 91.957; 95.987; 92.116 | 1408.4 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515362 | CIF | C14 H19 N3 S | P -1 | 7.466; 8.049; 13.472 82.276; 82.154; 63.734 | 716.7 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515363 | CIF | C14 H22 N2 S | P 1 21/n 1 | 10.731; 8.475; 16.092 90; 102.01; 90 | 1431.5 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515364 | CIF | C15 H22 N2 O2 S | P 1 21/c 1 | 11.0875; 7.4703; 37.579 90; 100.356; 90 | 3061.8 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515365 | CIF | C14 H19 F3 N2 S | P 1 21/c 1 | 13.298; 13.278; 8.673 90; 91.912; 90 | 1530.5 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515366 | CIF | C13 H19 Br N2 S | P 1 21/c 1 | 17.3563; 7.8428; 21.0265 90; 97.599; 90 | 2837 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515367 | CIF | C13 H19 F N2 S | P c a 21 | 17.405; 8.732; 17.612 90; 90; 90 | 2677 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515368 | CIF | C15 H22 N2 O2 S | P 1 21/n 1 | 5.553; 9.157; 30.91 90; 93.215; 90 | 1569 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515369 | CIF | C15 H24 N2 O S | P -1 | 8.39; 9.689; 19.62 93.19; 101.167; 90.09 | 1562 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515370 | CIF | C13 H19 I N2 S | P 1 21/n 1 | 11.4798; 8.4051; 15.6294 90; 102.55; 90 | 1472.03 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515371 | CIF | C15 H19 F3 N2 O S | P -1 | 5.2392; 11.02; 14.5788 75.946; 79.884; 79.501 | 795.2 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515372 | CIF | C14 H22 N2 O S | P 1 21/c 1 | 36.04; 4.347; 9.59 90; 95.3; 90 | 1496 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515373 | CIF | C15 H24 N2 S | P 1 21/c 1 | 13.07; 13.28; 8.885 90; 93.56; 90 | 1539 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515374 | CIF | C16 H26 N2 S | P 1 21/c 1 | 22.536; 7.7393; 9.223 90; 98.488; 90 | 1591 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515375 | CIF | C15 H22 N2 O S | P b c a | 7.756; 10.12; 37.38 90; 90; 90 | 2934 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
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