Crystallography Open Database
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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 |
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