Crystallography Open Database
Search results
Result: there are 1914 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 'Chemical Science' volume of publication is 16
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 1573189 | CIF | C22 H40 Al2 Br5 N | P 1 21 1 | 9.4049; 16.9807; 10.3837 90; 108.989; 90 | 1568.05 | Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science, 2024, 16, 147-155 |
| 1573190 | CIF | C22 H30 Al2 O2 | P 1 21/n 1 | 9.9086; 13.8047; 16.1315 90; 95.104; 90 | 2197.8 | Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science, 2024, 16, 147-155 |
| 1573214 | CIF | C14 H13 Br O3 | P 1 21/c 1 | 6.5459; 7.4134; 27.118 90; 96.115; 90 | 1308.5 | Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes. Chemical science, 2024, 16, 205-210 |
| 1573215 | CIF | C16 H14 O5 | P 1 21 1 | 6.7856; 6.0442; 16.6292 90; 92.683; 90 | 681.27 | Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes. Chemical science, 2024, 16, 205-210 |
| 1573216 | CIF | C17 H24 Cu2 I3 N5 O | P 1 21/c 1 | 10.8995; 16.7093; 13.8142 90; 108.662; 90 | 2383.61 | Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains. Chemical science, 2025, 16, 1106-1114 |
| 1573217 | CIF | C18 H26 Cu2 I3 N5 O | P 1 21/c 1 | 11.453; 17.025; 12.8883 90; 94.855; 90 | 2504 | Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains. Chemical science, 2025, 16, 1106-1114 |
| 1573218 | CIF | C34 H47 Cu4 I6 N9 O2 | P -1 | 10.1107; 11.2297; 11.9172 73.93; 67.168; 71.862 | 1166.1 | Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains. Chemical science, 2025, 16, 1106-1114 |
| 1573219 | CIF | C15 H19 Cu2 I3 N4 O2 | P 1 21/n 1 | 11.4886; 13.4361; 15.0603 90; 98.972; 90 | 2296.3 | Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains. Chemical science, 2025, 16, 1106-1114 |
| 1573220 | CIF | C26 H58 B F4 N P2 Pt | P 1 21/n 1 | 8.585; 12.11; 29.773 90; 90.461; 90 | 3095.2 | Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J. Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations. Chemical science, 2025, 16, 1271-1287 |
| 1573221 | CIF | C24 H57 B F4 O P2 Pt | P 1 21/c 1 | 11.5231; 16.5896; 16.5713 90; 106.8; 90 | 3032.63 | Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J. Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations. Chemical science, 2025, 16, 1271-1287 |
| 1573222 | CIF | C26 H59 B Cl4 F4 P2 Pt | C 1 c 1 | 11.1587; 19.7667; 16.9439 90; 96.666; 90 | 3712.06 | Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J. Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations. Chemical science, 2025, 16, 1271-1287 |
| 1573223 | CIF | C70 H92 Cl2 N6 O26 Zr6 | P n m a | 14.0277; 31.9593; 20.8847 90; 90; 90 | 9362.9 | Morey, Merissa N.; Montone, Christine M.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D. Tunable synthesis of heteroleptic zirconium-based porous coordination cages. Chemical science, 2025, 16, 816-823 |
| 1573224 | CIF | C9 H5 As S2 | P 1 21/n 1 | 10.5045; 6.2032; 13.9819 90; 102.093; 90 | 890.86 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573225 | CIF | C17 H9 As S2 | C 1 2/c 1 | 13.4892; 8.5408; 23.219 90; 97.422; 90 | 2652.6 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573226 | CIF | C17 H9 As S2 | P 1 21/c 1 | 13.1348; 8.5422; 12.1986 90; 93.983; 90 | 1365.38 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573227 | CIF | C17 H9 P S2 | C 1 2/c 1 | 13.2423; 8.4253; 23.582 90; 97.092; 90 | 2610.9 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573228 | CIF | C34 H20 O3 P2 S4 | P -1 | 7.4187; 13.2453; 17.9755 77.315; 81.898; 76.885 | 1670.53 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573229 | CIF | C34 H16 As2 S4 | P -1 | 8.0954; 11.366; 15.4655 87.822; 85.309; 80.114 | 1396.77 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573230 | CIF | C17 H9 As S2 | P 1 21/c 1 | 14.5703; 3.9421; 23.8017 90; 99.317; 90 | 1349.08 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573231 | CIF | C15 H11 As O4 S2 | P 1 21/c 1 | 10.403; 14.0494; 10.7101 90; 99.246; 90 | 1545.01 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573232 | CIF | C9 H5 As S2 | P 1 n 1 | 6.1248; 11.3296; 12.9122 90; 95.535; 90 | 891.82 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573233 | CIF | C14 H5 As O5 S2 W | P -1 | 7.312; 10.1653; 11.2954 92.355; 106.909; 100.48 | 785.92 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573234 | CIF | C23 H13 As S2 | I 1 2/a 1 | 16.1897; 7.1373; 31.4478 90; 90.732; 90 | 3633.5 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573235 | CIF | C23 H15 As O4 S2 | P n a 21 | 17.8326; 7.736; 30.234 90; 90; 90 | 4170.9 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573236 | CIF | C37 H24 N2 O | P -1 | 6.499; 11.218; 17.798 97.448; 93.423; 90.73 | 1284.1 | Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30. Chemical science, 2024, 16, 156-162 |
| 1573237 | CIF | C37 H22 N2 O2 | P -1 | 5.7116; 12.3669; 18.667 102.633; 91.04; 92.503 | 1284.87 | Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30. Chemical science, 2024, 16, 156-162 |
| 1573254 | CIF | C11 H15 Ag F6 N5 P | P -1 | 8.9329; 9.2591; 11.0005 97.817; 98.36; 109.228 | 833.34 | Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions. Chemical science, 2024, 16, 163-170 |
| 1573255 | CIF | C10 H16 Ag F6 N4 P | C 1 2/c 1 | 11.2729; 21.486; 6.9612 90; 111.597; 90 | 1567.7 | Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions. Chemical science, 2024, 16, 163-170 |
| 1573256 | CIF | C760 H564 Cd16 N96 O16 | C c c a :2 | 28.333; 43.635; 40.669 90; 90; 90 | 50280 | Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yu-Ming; Zhang, Zhe; Wu, Tun; Wang, Pingshan Dynamic selection in metallo-organic cube Cd<sup>II</sup> <sub>8</sub>L<sub>4</sub> conformations induced by perfluorooctanoate encapsulation. Chemical science, 2024, 16, 364-370 |
| 1573269 | CIF | C166 H123 | C 1 2/c 1 | 43.6143; 10.572; 25.1335 90; 98.309; 90 | 11467.2 | Sanderson, Hugh J.; Helbig, Andreas; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich Reversible formation of tetraphenylpentalene, a room temperature stable antiaromatic hydrocarbon. Chemical science, 2025, 16, 952-961 |
| 1573270 | CIF | C40 H56 Fe P2 | P 1 21/n 1 | 6.0446; 34.1672; 17.5241 90; 96.228; 90 | 3597.8 | Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf P<sup>+</sup> addition and transfer involving a tetraphosphenium ion. Chemical science, 2024, 16, 139-146 |
| 1573271 | CIF | C18 H28 B F4 Fe P3 | P 1 21/n 1 | 10.9377; 15.3369; 13.4763 90; 107.121; 90 | 2160.47 | Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf P<sup>+</sup> addition and transfer involving a tetraphosphenium ion. Chemical science, 2024, 16, 139-146 |
| 1573272 | CIF | C42 H58 Al2 Cl12 Fe P4 | P -1 | 9.2572; 16.6386; 18.679 96.852; 99.363; 94.47 | 2804.5 | Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf P<sup>+</sup> addition and transfer involving a tetraphosphenium ion. Chemical science, 2024, 16, 139-146 |
| 1573273 | CIF | C20 H51 O4 Si3 Y | P 1 21/n 1 | 9.9283; 32.1189; 10.3633 90; 112.542; 90 | 3052.23 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573274 | CIF | C20 H51 Lu O4 Si3 | P 1 21/c 1 | 10.6318; 9.5844; 29.2885 90; 90.415; 90 | 2984.4 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573275 | CIF | C18 H47 Lu O3 Si3 | P 1 21/n 1 | 19.0642; 15.9861; 19.1033 90; 107.166; 90 | 5562.62 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573276 | CIF | C18 H49 N2 Sc Si3 | P 21 21 21 | 10.2696; 15.0304; 17.6083 90; 90; 90 | 2717.95 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573277 | CIF | C18 H49 Lu N2 Si3 | P 21 21 21 | 9.7614; 16.1956; 17.1923 90; 90; 90 | 2717.96 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573278 | CIF | C18 H47 O3 Sc Si3 | P 1 21/n 1 | 9.4868; 15.7772; 18.6972 90; 101.956; 90 | 2737.8 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573279 | CIF | C18 H49 N2 Si3 Sm | P 21 21 21 | 9.8737; 16.2253; 17.3545 90; 90; 90 | 2780.26 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573280 | CIF | C18 H49 P2 Sc Si3 | P n a 21 | 16.9327; 9.5169; 18.2023 90; 90; 90 | 2933.24 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573281 | CIF | C18 H47 O3 Si3 Y | P 1 21/n 1 | 11.1358; 18.3119; 13.4974 90; 92.304; 90 | 2750.13 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573282 | CIF | C22 H57 Lu O P2 Si3 | P 21 21 21 | 10.4969; 18.0432; 18.0533 90; 90; 90 | 3419.25 | Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science, 2024, 16, 280-287 |
| 1573286 | CIF | C35 H28 Cl4 P2 Pt | P 1 21/n 1 | 8.9321; 25.8402; 16.2519 90; 95.622; 90 | 3733 | Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science, 2024, 16, 255-279 |
| 1573287 | CIF | C43 H42 Cl2 O2 P2 | P 1 21/c 1 | 8.7241; 18.1674; 24.8336 90; 90.885; 90 | 3935.5 | Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science, 2024, 16, 255-279 |
| 1573288 | CIF | C47 H28 F24 O2 P2 | P 1 21/c 1 | 10.2044; 19.1296; 24.2065 90; 90.207; 90 | 4725.2 | Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science, 2024, 16, 255-279 |
| 1573289 | CIF | C42 H18 Cl2 F24 P2 Pt | P 1 21/c 1 | 13.4013; 23.743; 14.4223 90; 99.623; 90 | 4524.4 | Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science, 2024, 16, 255-279 |
| 1573290 | CIF | C42 H40 P2 | P -1 | 9.1022; 9.6658; 20.7479 91.7747; 92.4701; 102.405 | 1779.6 | Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science, 2024, 16, 255-279 |
| 1573291 | CIF | C42 H42 Cl2 P2 Pt | P n m a | 16.5978; 19.5096; 18.9329 90; 90; 90 | 6130.8 | Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science, 2024, 16, 255-279 |
| 1573292 | CIF | C22 H34 Cl2 P2 Pt | P 1 21/n 1 | 7.5197; 17.6155; 17.7459 90; 95.268; 90 | 2340.8 | Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science, 2024, 16, 255-279 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!

