Crystallography Open Database
Search results
Result: there are 831 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Chem. Sci.' volume of publication is 6
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1518217 | CIF | C22 H17 Au Cl N | P 1 21/c 1 | 10.34; 18.881; 9.579 90; 110.408; 90 | 1752.7 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518218 | CIF | C20.62 H17.23 Au Cl1.23 N O | P c a 21 | 22.3204; 11.4097; 7.0554 90; 90; 90 | 1796.79 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518232 | CIF | C48 H30 F6 O4 | C 1 2/c 1 | 13.07527; 16.18867; 19.01027 90; 100.1; 90 | 3961.57 | Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci., 2015, 6, 1139 |
| 1518233 | CIF | C47 H28 Cl2 F6 O2 | P -1 | 12.5119; 12.6648; 14.9565 70.805; 66.621; 67.665 | 1967.5 | Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci., 2015, 6, 1139 |
| 1518234 | CIF | C49 H25 Cl3 F12 O2 | P 1 21/c 1 | 12.8182; 35.815; 9.7626 90; 92.841; 90 | 4476.3 | Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci., 2015, 6, 1139 |
| 1518242 | CIF | C81 H86 Cl6 N6 O8 Rh2 | P 21 21 21 | 13.919; 19.144; 28.616 90; 90; 90 | 7625 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518243 | CIF | C39 H40 Cl2 F6 N4 O2 P Rh | P 21 21 21 | 13.1445; 13.6427; 22.5166 90; 90; 90 | 4037.8 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518244 | CIF | C14 H18 N2 O5 | P 21 21 21 | 5.4571; 15.3289; 17.4084 90; 90; 90 | 1456.24 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518245 | CIF | C22 H26 N2 O4 | P 1 21/c 1 | 10.1905; 11.5731; 17.4203 90; 97.5045; 90 | 2036.88 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518246 | CIF | C51 H52 Cl4 F6 N4 O3 P Rh | P n a 21 | 17.7761; 22.9437; 13.1111 90; 90; 90 | 5347.4 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518247 | CIF | C47 H45 Cl2 Ir N4 O3 | C 1 2/c 1 | 38.9286; 13.3583; 17.0015 90; 111.479; 90 | 8227.1 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518248 | CIF | C98 H110 B Cl2 F20 N6 Nb2 | P 1 21/c 1 | 14.224; 21.737; 31.247 90; 90.83; 90 | 9660 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1518249 | CIF | C65 H66 B F20 N3 Nb O2 | P 1 21/c 1 | 18.1669; 17.1279; 19.7092 90; 90.559; 90 | 6132.4 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1518250 | CIF | C95 H110 B Cl9 F20 N6 Nb2 | P 1 21/c 1 | 20.744; 20.888; 22.683 90; 90.709; 90 | 9827.8 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1518251 | CIF | C61 H60 B Cl0 F20 N4 Nb | P 1 n 1 | 15.2666; 16.9177; 25.577 90; 97.658; 90 | 6547 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1518252 | CIF | C24 H28 B2 Cl6 Fe N8 O6 | C 1 2/c 1 | 24.287; 8.1945; 20.396 90; 120.269; 90 | 3505.8 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518253 | CIF | C31 H44 B2 Fe N8 O9 | P -1 | 10.435; 12.522; 14.568 110.05; 98.25; 92.93 | 1759.4 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518254 | CIF | C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 | F 4 3 2 | 77.1812; 77.1812; 77.1812 90; 90; 90 | 459764 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518255 | CIF | C193 H230 B12 Fe6 N59 O53 Pd3 | P -1 | 24.07; 25.09; 26.26 111.25; 101.84; 110.6 | 12790 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518256 | CIF | C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 | P -1 | 37.76; 37.914; 49.64 109.87; 111.57; 90.72 | 61382 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518257 | CIF | C350 H400 B24 Fe12 N105 O99 Pd6 | P -1 | 26.3697; 37.7311; 41.401 113.826; 96.68; 90.021 | 37375 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518278 | CIF | C20 H20 N2 O3 S | C 1 2/c 1 | 11.5572; 15.5085; 20.8957 90; 94.733; 90 | 3732.5 | Zhou, Ai-Hua; He, Qiao; Shu, Chao; Yu, Yong-Fei; Liu, Shuang; Zhao, Tian; Zhang, Wei; Lu, Xin; Ye, Long-Wu Atom-economic generation of gold carbenes: gold-catalyzed formal [3+2] cycloaddition between ynamides and isoxazoles Chem. Sci., 2015, 6, 1265 |
| 1518279 | CIF | C24 H20 N2 O2 | P 21 21 21 | 7.58; 13.2149; 18.5282 90; 90; 90 | 1855.95 | Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides Chem. Sci., 2015, 6, 1252 |
| 1518308 | CIF | C90 H64 F24 N14 P4 Ru2 | P -1 | 13.811; 18.252; 20.803 84.81; 82.76; 72.33 | 4949 | Cui, Bin-Bin; Mao, Zupan; Chen, Yuxia; Zhong, Yu-Wu; Yu, Gui; Zhan, Chuanlang; Yao, Jiannian Tuning of resistive memory switching in electropolymerized metallopolymeric films Chem. Sci., 2015, 6, 1308 |
| 1518338 | CIF | C36 H54 F18 N15 P3 Ru3 S9 | C 1 2 1 | 27.5079; 16.0629; 14.4082 90; 108.033; 90 | 6053.6 | Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A. Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry Chem. Sci., 2015, 6, 1334 |
| 1518339 | CIF | C15 H12 Au N O2 | P -1 | 7.3807; 11.755; 15.94 102.912; 92.025; 100.595 | 1320.8 | Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds Chem. Sci., 2015, 6, 1491 |
| 1518340 | CIF | C15 H12 Au N O2 | P -1 | 6.0552; 7.0297; 15.9689 96.315; 93.979; 90.279 | 673.93 | Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds Chem. Sci., 2015, 6, 1491 |
| 1518342 | CIF | C33 H27 Br N2 O4 | P 1 21 1 | 9.7143; 22.5934; 12.6641 90; 106.703; 90 | 2662.23 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518343 | CIF | C33 H28 N2 O4 | P 21 21 21 | 12.1648; 12.4912; 17.107 90; 90; 90 | 2599.46 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518344 | CIF | C24 H26 N2 O5 | P 1 | 6.25441; 12.592; 13.61853 100.755; 92.7028; 95.0674 | 1047.35 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518345 | CIF | C22 H22 N2 O5 | P 1 21 1 | 12.14306; 6.28576; 13.0165 90; 108.566; 90 | 941.82 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518346 | CIF | C8 H4 Cr2 O8 P2 | C m c a | 12.2545; 11.5949; 9.7196 90; 90; 90 | 1381.06 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518347 | CIF | C8 H4 O8 P2 W2 | C m c a | 12.4977; 12.0462; 10.1185 90; 90; 90 | 1523.3 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518348 | CIF | C7 H7 Cr2 O7 P3 | P -1 | 6.9134; 7.3239; 8.761 111.796; 92.15; 115.204 | 362.43 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518352 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.70071; 11.70071; 11.70071 90; 90; 90 | 1601.9 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 1518353 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.74713; 11.74713; 11.74713 90; 90; 90 | 1621.05 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 1518354 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.78842; 11.78842; 11.78842 90; 90; 90 | 1638.2 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 1518355 | CIF | C32 H44 K N2 O13 Rh | C 1 c 1 | 13.6052; 19.6523; 14.3113 90; 105.559; 90 | 3686.2 | Murphy, Stephen K.; Bruch, Achim; Dong, Vy M. Mechanistic insights into hydroacylation with non-chelating aldehydes Chemical Science, 2015, 6, 174-180 |
| 1518358 | CIF | C18 H32 N4 Pd | P 1 21/c 1 | 9.5147; 8.7236; 12.2763 90; 96.21; 90 | 1012.98 | Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands Chem. Sci., 2015, 6, 1426 |
| 1518359 | CIF | C28 H50 Cl4 N6 Pd | P -1 | 9.5437; 12.6519; 14.7569 81.229; 83.044; 81.137 | 1731.26 | Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands Chem. Sci., 2015, 6, 1426 |
| 1518360 | CIF | C145 H149 Cl6 Cs3 N8 O14 | P -1 | 11.649; 18.299; 18.362 60.833; 80.132; 86.221 | 3366.6 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518361 | CIF | C74 H78 Cl6 Cs F N4 O8 | P -1 | 12.5824; 16.3849; 18.0859 89.08; 89.123; 70.854 | 3521.7 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518362 | CIF | C82 H92 N4 O12 | P -1 | 16.284; 21.681; 24.254 65.823; 87.933; 77.172 | 7602 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518363 | CIF | C75 H71 Cl3 N4 O12 | P 1 21/c 1 | 18.865; 17.828; 20.315 90; 107.064; 90 | 6532 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518364 | CIF | C81 H94 Cl6 F N5 O6 | P 1 21/n 1 | 18.1082; 20.262; 21.408 90; 105.284; 90 | 7577 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518365 | CIF | C78 H81 N7 O6 | P 1 21/n 1 | 19.8344; 17.7442; 20.5845 90; 109.128; 90 | 6844.6 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518366 | CIF | C74 H77 Cl4 Cs N4 O7 | P 1 2/n 1 | 28.4416; 17.3237; 28.5922 90; 90.135; 90 | 14087.7 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518367 | CIF | C74 H77 Cl3 Cs F N4 O7 | P 1 21/n 1 | 17.1643; 20.272; 20.1109 90; 99.129; 90 | 6909 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518368 | CIF | C163 H193 Cl6 F2 N10 O15 | P -1 | 17.7069; 19.2391; 27.8205 71.903; 75.381; 69.249 | 8315.5 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518371 | CIF | C279.28 H164 N37 O100 | C 1 2/c 1 | 33.067; 14.8252; 17.1809 90; 121.19; 90 | 7205.1 | Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul Solid state organic amine detection in a photochromic porous metal organic framework Chem. Sci., 2015, 6, 1420 |
| 1518372 | CIF | C69 H35 Mg4 N7 O30 | P 1 2/c 1 | 34.3413; 10.0447; 17.7382 90; 96.234; 90 | 6082.6 | Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul Solid state organic amine detection in a photochromic porous metal organic framework Chem. Sci., 2015, 6, 1420 |
| 1518407 | CIF | C74 H86 N6 O3 | P -1 | 9.827; 16.9659; 21.6298 69.273; 81.505; 87.976 | 3335.2 | Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R. Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly Chem. Sci., 2015, 6, 1562 |
| 1518408 | CIF | C86 H92 Cl18 N6 O3 | P -1 | 15.4721; 16.3717; 19.0278 92.068; 110.731; 99.28 | 4426 | Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R. Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly Chem. Sci., 2015, 6, 1562 |
| 1518409 | CIF | C28 H20 N2 | P 21 21 21 | 5.9763; 11.5786; 29.273 90; 90; 90 | 2025.6 | Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci., 2015, 6, 1932 |
| 1518410 | CIF | C40 H28 N2 | P -1 | 10.6571; 11.1264; 13.1685 88; 76.566; 74.575 | 1463.4 | Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci., 2015, 6, 1932 |
| 1518411 | CIF | C42 H32 N2 O2 | P -1 | 11.1806; 11.4458; 12.861 101.527; 91.283; 99.274 | 1589.02 | Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci., 2015, 6, 1932 |
| 1518412 | CIF | C32 H28 N2 O4 | P -1 | 9.768; 12.3063; 12.4687 68.542; 70.492; 88.089 | 1308.1 | Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci., 2015, 6, 1932 |
| 1518432 | CIF | C6 H12 O6 | P 21 21 21 | 10.336; 14.852; 4.924 90; 90; 90 | 755.9 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518433 | CIF | C6 H12 O6 | P 21 21 21 | 10.26; 14.837; 4.8169 90; 90; 90 | 733.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518434 | CIF | C6 H12 O6 | P 21 21 21 | 10.22; 14.832; 4.7689 90; 90; 90 | 722.9 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518435 | CIF | C6 H12 O6 | P 21 21 21 | 10.218; 14.823; 4.7439 90; 90; 90 | 718.5 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518436 | CIF | C6 H12 O6 | P 21 21 21 | 10.181; 14.808; 4.693 90; 90; 90 | 707.5 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518437 | CIF | C6 H12 O6 | P 21 21 21 | 10.11; 14.808; 4.5801 90; 90; 90 | 685.7 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518438 | CIF | C6 H12 O6 | P 21 21 21 | 10.06; 14.798; 4.537 90; 90; 90 | 675.4 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518439 | CIF | C6 H12 O6 | P 21 21 21 | 10.05; 14.807; 4.4206 90; 90; 90 | 657.8 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518440 | CIF | C6 H12 O6 | P 21 21 21 | 10.04; 14.796; 4.3879 90; 90; 90 | 651.8 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518441 | CIF | C6 H12 O6 | P 21 21 21 | 10.056; 14.779; 4.275 90; 90; 90 | 635.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518442 | CIF | C6 H12 O6 | P 21 21 21 | 10.059; 14.776; 4.261 90; 90; 90 | 633.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518443 | CIF | C6 H12 O6 | P 21 21 21 | 10.063; 14.787; 4.256 90; 90; 90 | 633.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518444 | CIF | C6 H12 O6 | P 21 21 21 | 9.714; 14.99; 4.262 90; 90; 90 | 621 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518445 | CIF | C6 H12 O6 | P 21 21 21 | 9.73; 14.987; 4.234 90; 90; 90 | 617.4 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518446 | CIF | C6 H12 O6 | P 21 21 21 | 9.694; 14.931; 4.2234 90; 90; 90 | 611.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518447 | CIF | C67 F6 | P b c a | 9.9998; 20.6538; 31.3512 90; 90; 90 | 6475.1 | San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H. A faux hawk fullerene with PCBM-like properties Chem. Sci., 2015, 6, 1801 |
| 1518448 | CIF | C60 H60 Li4 O5 Rb4 | C m c m | 14.166; 13.519; 25.901 90; 90; 90 | 4960 | Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A. Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts Chem. Sci., 2015, 6, 1959 |
| 1518449 | CIF | C66 H80 Li3 O12.5 Rb5 | P -1 | 10.064; 15.27; 22.129 90.416; 93.102; 94.532 | 3384.9 | Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A. Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts Chem. Sci., 2015, 6, 1959 |
| 1518450 | CIF | C28 H46 N4 O19 Tm | C 1 c 1 | 23.1686; 9.677; 16.8001 90; 118.272; 90 | 3317.3 | Funk, Alexander M.; Finney, Katie-Louise N. A.; Harvey, Peter; Kenwright, Alan M.; Neil, Emily R.; Rogers, Nicola J.; Kanthi Senanayake, P.; Parker, David Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes Chem. Sci., 2015, 6, 1655 |
| 1518469 | CIF | C21 H10 Au B Cl10 N6 Pb | P -1 | 8.5794; 13.7444; 13.7913 110.805; 93.371; 101.13 | 1477.17 | Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena The gold(i)⋯lead(ii) interaction: a relativistic connection Chem. Sci., 2015, 6, 2022 |
| 1518476 | CIF | C14 H23 F6 O6 Pd Sb | P -1 | 9.539; 10.408; 11.253 115.767; 97.422; 91.945 | 992.6 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518477 | CIF | C15 H22 F6 N O6 Pd Sb | P n m a | 18.89; 16.805; 13.196 90; 90; 90 | 4189 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518478 | CIF | C22 H35 F6 O6 Pd Sb | P n a 21 | 16.758; 16.947; 9.5046 90; 90; 90 | 2699.3 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518479 | CIF | C17 H28 F6 N3 O10 Pd Sb | P 1 21/c 1 | 10.0271; 19.0026; 14.5138 90; 92.747; 90 | 2762.3 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518480 | CIF | C66 H86 Cl20 F24 O16 Pd4 Sb4 | P -1 | 16.4284; 19.3745; 21.4447 66.181; 88.434; 72.775 | 5930.9 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518496 | CIF | C34 H58 As4 Co2 | P 1 21/n 1 | 8.4386; 13.7676; 16.0276 90; 100.27; 90 | 1832.24 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518497 | CIF | C35 H60 As4 Cl2 Co2 | C 1 2/c 1 | 17.893; 19.9249; 11.6299 90; 107.903; 90 | 3945.5 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518498 | CIF | C68 H116 As10 Co4 | P -1 | 10.3921; 14.3707; 14.8262 62.53; 76.535; 79.819 | 1904.35 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518499 | CIF | C72 H124 As10 Cl8 Co4 | P -1 | 13.7956; 14.0892; 15.0382 62.971; 69.895; 61.292 | 2254 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518500 | CIF | C51 H87 As12 Co3 | C 1 2/c 1 | 28.9202; 15.7899; 29.9375 90; 112.752; 90 | 12607.1 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518501 | CIF | C23 H32 N2 Se | P n a 21 | 23.3; 7.0807; 11.6415 90; 90; 90 | 1920.6 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518502 | CIF | C15 H24 N2 Se | P 1 21/c 1 | 11.8147; 11.1443; 12.2088 90; 108.21; 90 | 1527 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518503 | CIF | C27 H48 N2 Se | P 1 21/n 1 | 14.4058; 7.4133; 25.023 90; 97.856; 90 | 2647.2 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518504 | CIF | C19 H20 N2 Se | P 1 2/n 1 | 8.3318; 7.4265; 13.6459 90; 98.798; 90 | 834.42 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518505 | CIF | C21 H24 N2 Se | P b c n | 16.043; 7.3937; 16.055 90; 90; 90 | 1904.4 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518506 | CIF | C35 H52 N2 Se | P 1 21/c 1 | 20.433; 7.6327; 21.563 90; 106.66; 90 | 3221.8 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518507 | CIF | C27 H34 Cl2 N2 Se | I 1 2/a 1 | 17.366; 9.4565; 21.295 90; 109.08; 90 | 3305 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518508 | CIF | C21 H26 N2 Se | P b c n | 15.9194; 7.4418; 16.1915 90; 90; 90 | 1918.2 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518509 | CIF | C11 H6 F5 N3 Se | P 1 21/c 1 | 9.3746; 15.527; 8.3524 90; 90.357; 90 | 1215.7 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518510 | CIF | C11 H11 N3 O Se | P -1 | 7.8283; 7.9731; 18.447 97.93; 94.637; 90.042 | 1136.6 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518511 | CIF | C21 H21 N3 O Se | P -1 | 8.5326; 10.637; 11.589 107.558; 101.546; 107.498 | 906.2 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518512 | CIF | C30 H35 N3 O Se Si | P b c a | 13.2692; 19.8926; 20.979 90; 90; 90 | 5537.6 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518526 | CIF | C12 H11 N O2 | P -1 | 4.00444; 11.1381; 12.202 71.955; 89.514; 80.992 | 510.62 | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci., 2015, 6, 1905 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!