Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1574330 | CIF | C12 H10 N2 | P 1 21/c 1 | 12.064; 5.5054; 10.545 90; 115.46; 90 | 632.4 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574331 | CIF | C12 H10 N2 | P 1 21/c 1 | 12.013; 5.5124; 10.539 90; 115.68; 90 | 629 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574332 | CIF | C12 H10 N2 | P 1 21/c 1 | 12.24; 5.4747; 10.639 90; 114.84; 90 | 647 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574333 | CIF | C12 H10 N2 | P 1 21/c 1 | 13.162; 5.1734; 10.885 90; 113.15; 90 | 681.5 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574334 | CIF | C12 H10 N2 | P 1 21/c 1 | 14.71; 5.5772; 11.759 90; 112.39; 90 | 892 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574335 | CIF | C12 H10 N2 | P 1 21/c 1 | 12.162; 5.4949; 10.602 90; 115.15; 90 | 641.4 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574336 | CIF | C12 H10 N2 | P 1 21/c 1 | 15.088; 5.7289; 12.059 90; 112.42; 90 | 963.6 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574337 | CIF | C12 H10 N2 | P 1 21/c 1 | 13.22; 5.175; 10.904 90; 113.08; 90 | 686.3 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574338 | CIF | C12 H10 N2 | P 1 21/c 1 | 13.261; 5.1782; 10.915 90; 113.01; 90 | 689.9 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574339 | CIF | C12 H10 N2 | P 1 21/c 1 | 13.08; 5.1368; 10.777 90; 112.98; 90 | 666.6 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574340 | CIF | C12 H10 N2 | P 1 21/c 1 | 14.998; 5.694; 11.992 90; 112.43; 90 | 946.6 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574341 | CIF | C12 H10 N2 | P 1 21/c 1 | 13.111; 5.1676; 10.86 90; 113.15; 90 | 676.5 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574342 | CIF | C12 H10 N2 | P 1 21/c 1 | 14.455; 5.4916; 11.591 90; 112.41; 90 | 850.6 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574343 | CIF | C12 H10 N2 | P 1 21/c 1 | 13.319; 5.18; 10.928 90; 112.91; 90 | 694.5 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574344 | CIF | C12 H10 N2 | P 1 21/c 1 | 12.32; 5.4498; 10.697 90; 114.6; 90 | 653 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574345 | CIF | C12 H10 N2 | P 1 21/c 1 | 12.23; 5.4789; 10.62 90; 114.88; 90 | 645.6 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574346 | CIF | C12 H10 N2 | P 1 21/c 1 | 11.918; 5.5121; 10.502 90; 115.9; 90 | 620.6 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574347 | CIF | C12 H10 N2 | P 1 21/c 1 | 11.882; 5.5101; 10.49 90; 116.01; 90 | 617.2 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574348 | CIF | C12 H10 N2 | P 1 21/c 1 | 11.945; 5.518; 10.526 90; 115.9; 90 | 624.1 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574349 | CIF | C12 H10 N2 | P 1 21/c 1 | 11.814; 5.5065; 10.466 90; 116.17; 90 | 611.1 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574350 | CIF | C12 H10 N2 | P 1 21/c 1 | 11.979; 5.5148; 10.53 90; 115.74; 90 | 626.6 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574351 | CIF | C12 H10 N2 | P 1 21/c 1 | 14.547; 5.5258; 11.659 90; 112.4; 90 | 866.5 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574352 | CIF | C12 H10 N2 | P 1 21/c 1 | 11.834; 5.51; 10.478 90; 116.14; 90 | 613.3 | Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction Chemical Science, 2025, 16, 9240-9254 |
| 1574353 | CIF | C27 H25 Er2 N3 O20 | C 1 c 1 | 24.29; 19.873; 7.4327 90; 104.998; 90 | 3465.7 | Maciel, Jhonny W.; Kalinke, Lucas H. G.; Rabelo, Renato; Alvarenga, Meiry E.; Martins, Felipe Terra; Moliner, Nicolás; Cangussu, Danielle Slow Relaxation of Magnetization and Magnetocaloric Effects in One-Dimensional Oxamato-Based Lanthanide(III) Coordination Polymers Magnetochemistry, 2025, 11, 23 |
| 1574354 | CIF | C29 H28 Fe O4 | P -1 | 9.5599; 11.2459; 13.3652 67.299; 87.272; 70.734 | 1246.08 | Forté, Jérémy; Pigeon, Pascal Ethyl 4-Ene-4-ferrocenyl-5,5-bis-(4-hydroxyphenyl)-pentanoate Molbank, 2025, 2025, M1980 |
| 1574355 | CIF | C56 H49 Cl N6 P2 Ru | P 1 21/c 1 | 12.8637; 24.5322; 18.1868 90; 109.991; 90 | 5393.5 | Nath, Shambhu; Singh, Amrendra K. Substrate-assisted product release in hydrogenation of LOHCs facilitated by hemilabile pyridine in Ru(ii)–NNC pincer complexes and enhanced activity of proton-responsive protic-NHC ligands Catalysis Science & Technology, 2025, 15, 2999-3008 |
| 1574356 | CIF | C56 H50 N6 O P2 Ru | P -1 | 13.4509; 14.0264; 14.305 102.178; 107.581; 95.342 | 2479.06 | Nath, Shambhu; Singh, Amrendra K. Substrate-assisted product release in hydrogenation of LOHCs facilitated by hemilabile pyridine in Ru(ii)–NNC pincer complexes and enhanced activity of proton-responsive protic-NHC ligands Catalysis Science & Technology, 2025, 15, 2999-3008 |
| 1574357 | CIF | C3 H I O S2 | P 1 | 4.09358; 5.63601; 6.64675 103.946; 91.017; 91.983 | 148.687 | Shukla, Rahul; Aubert, Emmanuel; Brezgunova, Mariya; Lebègue, Sébastien; Fourmigué, Marc; Espinosa, Enrique The origin of synthons and supramolecular motifs: beyond atoms and functional groups. IUCrJ, 2025, 12 |
| 1574358 | CIF | C56 H102 As8 K N2 O9 Ta2 | P -1 | 15.0711; 15.7076; 17.5064 109.325; 108.365; 101.944 | 3480.31 | Riesinger, Christoph; Scheer, Manfred Redox mediated dimerisation of a cyclo-As8 complex Chemical Science, 2025, 16, 8807-8811 |
| 1574359 | CIF | C88.5 H90 Al As12.5 F49.5 O3 Sb0.5 Ta3 | C 1 2/c 1 | 24.4761; 36.8173; 28.1239 90; 100.641; 90 | 24907.9 | Riesinger, Christoph; Scheer, Manfred Redox mediated dimerisation of a cyclo-As8 complex Chemical Science, 2025, 16, 8807-8811 |
| 1574360 | CIF | C50.5 H52 Al As7.09 F38 O4 Ta2 | P -1 | 11.4386; 18.7072; 19.1356 63.108; 88.564; 76.688 | 3539.01 | Riesinger, Christoph; Scheer, Manfred Redox mediated dimerisation of a cyclo-As8 complex Chemical Science, 2025, 16, 8807-8811 |
| 1574361 | CIF | C118 H104 N6 O14 | P -1 | 14.7673; 16.6167; 20.5716 71.702; 89.043; 88.782 | 4791.3 | D'Addio, Adriano; Kroonen, Camiel C. E.; Fuhr, Olaf; Fenske, Dieter; Häussinger, Daniel; Mayor, Marcel Series of Geländer oligomers with orthogonal rungs Chemical Science, 2025, 16, 8092-8098 |
| 1574362 | CIF | C22 H24 O2 | P 21 21 21 | 7.7868; 10.9259; 21.3967 90; 90; 90 | 1820.38 | Ke, Miaolin; Zheng, Jinying; Zong, Jiayi; Tang, Keshuang; Wang, Jiahao; Zheng, Guohui; Zhang, Boxuan; Cheng, Dang; Ju, Zhiran; Chen, Fener Enantioselective [5 + 1] cycloaddition of sulfur ylides and vinylethylene carbonates via synergistic palladium/chiral phosphonic acid catalysis Chemical Science, 2025, 16, 8108-8113 |
| 1574363 | CIF | C21 H24 O6 | P 1 21/n 1 | 8.7571; 19.7605; 11.2657 90; 105.491; 90 | 1878.65 | Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy Chemical Science, 2025, 16, 8302-8308 |
| 1574364 | CIF | C21 H24 O6 | P 1 21/n 1 | 8.707; 19.1093; 11.7941 90; 92.103; 90 | 1961.04 | Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy Chemical Science, 2025, 16, 8302-8308 |
| 1574365 | CIF | C21 H24 O6 | P 1 21/n 1 | 8.9343; 19.9249; 11.1682 90; 106.262; 90 | 1908.57 | Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy Chemical Science, 2025, 16, 8302-8308 |
| 1574366 | CIF | C17 H17 Au2 Fe N7 O | I b c a | 12.6866; 15.4013; 22.1817 90; 90; 90 | 4334.1 | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang Switchable colossal anisotropic thermal expansion in a spin crossover framework Chemical Science, 2025, 16, 8845-8852 |
| 1574367 | CIF | C18 H19 Au2 Fe N7 O | I b c a | 12.1277; 16.8526; 22.9813 90; 90; 90 | 4696.99 | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang Switchable colossal anisotropic thermal expansion in a spin crossover framework Chemical Science, 2025, 16, 8845-8852 |
| 1574368 | CIF | C17 H17 Au2 Fe N7 O | I b c a | 12.7477; 15.3811; 22.2404 90; 90; 90 | 4360.8 | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang Switchable colossal anisotropic thermal expansion in a spin crossover framework Chemical Science, 2025, 16, 8845-8852 |
| 1574369 | CIF | C17 H17 Au2 Fe N7 O | I b c a | 11.5562; 17.2475; 22.9494 90; 90; 90 | 4574.2 | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang Switchable colossal anisotropic thermal expansion in a spin crossover framework Chemical Science, 2025, 16, 8845-8852 |
| 1574370 | CIF | C17 H17 Au2 N7 O Zn | I b c a | 11.96862; 16.947; 22.7781 90; 90; 90 | 4620.13 | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang Switchable colossal anisotropic thermal expansion in a spin crossover framework Chemical Science, 2025, 16, 8845-8852 |
| 1574371 | CIF | C17 H17 Au2 Fe N7 O | I b c a | 11.8527; 17.0385; 22.9573 90; 90; 90 | 4636.3 | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang Switchable colossal anisotropic thermal expansion in a spin crossover framework Chemical Science, 2025, 16, 8845-8852 |
| 1574372 | CIF | C18 H19 Au2 Fe N7 O | I b c a | 12.465; 15.754; 22.263 90; 90; 90 | 4372 | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang Switchable colossal anisotropic thermal expansion in a spin crossover framework Chemical Science, 2025, 16, 8845-8852 |
| 1574373 | CIF | C17 H17 Au2 N7 O Zn | I b c a | 11.2926; 17.4255; 22.7813 90; 90; 90 | 4482.9 | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang Switchable colossal anisotropic thermal expansion in a spin crossover framework Chemical Science, 2025, 16, 8845-8852 |
| 1574374 | CIF | C17 H20 N2 O4 S | P 1 21 1 | 4.9904; 10.6896; 16.6446 90; 94.504; 90 | 885.17 | Guo, Cui-Mei; Zhang, Fang-Yuan; Tian, Yin; Xie, Ming-Sheng; Guo, Hai-Ming Pyridine-N-oxide catalyzed asymmetric N-acylative desymmetrization of sulfonimidamides Chemical Science, 2025, 16, 8812-8819 |
| 1574375 | CIF Paper | C36 H24 Ag F6 N O2 P2 | P 1 21/n 1 | 14.3478; 13.5179; 17.9803 90; 111.215; 90 | 3250.98 | Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout (Nitrito-κ2 O:O′)bis[tris(4-fluorophenyl)phosphine-κP]silver(I) IUCrData, 2025, 10, x250296 |
| 1574376 | CIF | C17 H14 F N3 | P 1 21/c 1 | 13.1473; 6.2052; 18.1878 90; 106.936; 90 | 1419.4 | Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers Chemical Science, 2025, 16, 8561-8568 |
| 1574377 | CIF | C28 H21 F3 O | P 1 21/n 1 | 11.7028; 5.5202; 33.5271 90; 94.414; 90 | 2159.49 | Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers Chemical Science, 2025, 16, 8561-8568 |
| 1574378 | CIF | C12 H17 Cl3 N4 Zn | P 1 21/n 1 | 7.4537; 14.2418; 15.4069 90; 91.025; 90 | 1635.24 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574379 | CIF | C6 H9.01 Cl3 N2 Zn1.01 | C 1 c 1 | 9.909; 63.672; 6.3765 90; 127.717; 90 | 3182.4 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574380 | CIF | C7 H11 Br3 N2 Zn | P 1 21/n 1 | 7.7054; 12.3265; 12.5814 90; 92.11; 90 | 1194.18 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574381 | CIF | C7 H12 Br4 N2 Zn | P 1 21/n 1 | 9.5132; 14.134; 10.4282 90; 104.052; 90 | 1360.21 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574382 | CIF | C12 H18 Br4 N4 Zn | C 1 2/c 1 | 14.4961; 7.8886; 16.379 90; 93.194; 90 | 1870.09 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574383 | CIF | C8 H13 Cl3 N2 Zn | P 1 21/n 1 | 8.0104; 11.5319; 13.8196 90; 105.667; 90 | 1229.16 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574384 | CIF | C7 H12 Cl4 N2 Zn | P 1 21/n 1 | 9.3199; 13.5559; 10.0752 90; 105.093; 90 | 1228.99 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574385 | CIF | C7 H11 Cl3 N2 Zn | P 1 21/n 1 | 7.4173; 12.0708; 12.3184 90; 92.933; 90 | 1101.46 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574386 | CIF | C8 H14 Cl4 N2 Zn | P 1 21/c 1 | 11.5216; 9.1377; 13.3073 90; 101.747; 90 | 1371.66 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574387 | CIF | C8 H14 Br4 N2 Zn | C 1 2/c 1 | 25.8746; 7.9515; 13.9583 90; 93.801; 90 | 2865.49 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574388 | CIF | C8 H13 Br3 N2 Zn | P 1 21/n 1 | 8.2015; 11.6705; 13.9617 90; 104.989; 90 | 1290.88 | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence Chemical Science, 2025, 16, 8291-8301 |
| 1574389 | CIF | C24 H22 Cl2 Fe N10 O8 | P 1 21 1 | 9.057; 9.1234; 18.0236 90; 97.553; 90 | 1476.38 | Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A. The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals Chemical Science, 2025, 16, 9203-9212 |
| 1574390 | CIF | C22 H16 B2 Br2 F8 Fe N10 | P 1 21 1 | 9.5177; 9.3657; 16.524 90; 93.848; 90 | 1469.6 | Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A. The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals Chemical Science, 2025, 16, 9203-9212 |
| 1574391 | CIF | C24 H22 Cl2 Fe N10 O8 | P 1 21 1 | 9.1111; 9.1607; 18.1574 90; 97.194; 90 | 1503.56 | Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A. The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals Chemical Science, 2025, 16, 9203-9212 |
| 1574392 | CIF | C24 H22 Cl2 Fe N10 O8 | P 1 21 1 | 9.0949; 9.0814; 18.745 90; 93.755; 90 | 1544.9 | Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A. The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals Chemical Science, 2025, 16, 9203-9212 |
| 1574393 | CIF | C24 H22 Cl2 Fe N10 O8 | P 1 21 1 | 9.0959; 9.1543; 18.09 90; 97.453; 90 | 1493.57 | Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A. The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals Chemical Science, 2025, 16, 9203-9212 |
| 1574394 | CIF | C14 H13 N O2 | P 1 21/c 1 | 6.6579; 22.13; 7.8468 90; 101.462; 90 | 1133.08 | Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes Catalysis Science & Technology, 2025, 15, 3325-3331 |
| 1574395 | CIF | C16 H22 N2 O | P -1 | 6.6423; 13.8452; 16.6714 79.252; 85.493; 83.62 | 1494.31 | Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes Catalysis Science & Technology, 2025, 15, 3325-3331 |
| 1574396 | CIF | C29 H22.33333 Cl Cu N2 O3.66667 | P -1 | 11.9198; 13.4831; 22.5889 84.99; 84.584; 82.389 | 3572.03 | Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes Catalysis Science & Technology, 2025, 15, 3325-3331 |
| 1574397 | CIF | C58 H54 Cl6 | P 1 21/c 1 | 20.8136; 6.0124; 21.4653 90; 116.226; 90 | 2409.6 | Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization Chemical Science, 2025, 16, 8262-8267 |
| 1574398 | CIF | C23 H17 B Cl2 F4 S2 | P -1 | 10.3623; 10.749; 11.4494 65.158; 86.14; 73.882 | 1110.01 | Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization Chemical Science, 2025, 16, 8262-8267 |
| 1574399 | CIF | C28 H19 B F4 S2 | C 1 2/c 1 | 15.1406; 10.3948; 32.4934 90; 100.849; 90 | 5022.5 | Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization Chemical Science, 2025, 16, 8262-8267 |
| 1574400 | CIF | C22 H15 B F4 S2 | P 1 21/n 1 | 10.6757; 15.4534; 11.9779 90; 109.437; 90 | 1863.44 | Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization Chemical Science, 2025, 16, 8262-8267 |
| 1574401 | CIF | C17 H20 N2 O4 S | P 21 21 21 | 8.083; 11.2048; 18.8269 90; 90; 90 | 1705.12 | Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures Chemical Science, 2025, 16, 8435-8442 |
| 1574402 | CIF | C23 H24 N2 O5 S2 | P 21 21 21 | 8.4134; 14.6866; 18.7432 90; 90; 90 | 2316 | Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures Chemical Science, 2025, 16, 8435-8442 |
| 1574403 | CIF | C17 H15 N O | P 21 21 21 | 6.1916; 7.5616; 27.676 90; 90; 90 | 1295.7 | Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover Chemical Science, 2025, 16, 7191-7202 |
| 1574404 | CIF | C10 H8 N2 O2 | P 1 21 1 | 9.2102; 6.6977; 14.702 90; 98.797; 90 | 896.3 | Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover Chemical Science, 2025, 16, 7191-7202 |
| 1574405 | CIF | C11 H8 F3 N | P 21 21 21 | 7.186; 10.3981; 12.9161 90; 90; 90 | 965.1 | Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover Chemical Science, 2025, 16, 7191-7202 |
| 1574406 | CIF | C14 H13 Fe N | P 1 21 1 | 10.4077; 7.4147; 14.8363 90; 92.504; 90 | 1143.8 | Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover Chemical Science, 2025, 16, 7191-7202 |
| 1574407 | CIF | C10 H8 Br N | P 21 21 21 | 7.0173; 9.839; 12.9563 90; 90; 90 | 894.54 | Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover Chemical Science, 2025, 16, 7191-7202 |
| 1574408 | CIF | C25.5 H32 As B N2 O | P 1 21/n 1 | 7.5069; 18.7077; 17.6728 90; 90.683; 90 | 2481.7 | Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene Chemical Science, 2025, 16, 8870-8877 |
| 1574409 | CIF | C31 H37 B F3 N2 O3 S | C 1 2 1 | 16.551; 8.9942; 20.2775 90; 93.55; 90 | 3012.78 | Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene Chemical Science, 2025, 16, 8870-8877 |
| 1574410 | CIF | C25 H31 B N2 P S | P 1 21/n 1 | 7.5149; 19.1431; 17.1323 90; 90.562; 90 | 2464.51 | Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene Chemical Science, 2025, 16, 8870-8877 |
| 1574411 | CIF | C37 H49 B12 N2 P S | P 1 21/c 1 | 20.8665; 8.2701; 23.3283 90; 90.258; 90 | 4025.68 | Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene Chemical Science, 2025, 16, 8870-8877 |
| 1574412 | CIF | C55 H53 As B2 N2 | P -1 | 13.8895; 14.0251; 14.5748 61.329; 73.845; 64.999 | 2247.48 | Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene Chemical Science, 2025, 16, 8870-8877 |
| 1574413 | CIF | C41 H44 B F3 N5 P S | P 1 21 1 | 19.026; 24.2587; 9.7105 90; 121.337; 90 | 3828.05 | Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene Chemical Science, 2025, 16, 8870-8877 |
| 1574414 | CIF | C63 H61 B2 N2 P S | P 21 21 21 | 9.4437; 20.1987; 26.6309 90; 90; 90 | 5079.86 | Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene Chemical Science, 2025, 16, 8870-8877 |
| 1574415 | CIF Paper | Mg9 Ru2 | C 1 2/c 1 | 9.8976; 22.3449; 8.6049 90; 105.549; 90 | 1833.42 | Li, Junhui; Liu, Huizi; Liu, Yibo; Wen, Bin; Zhang, Lifeng; Fan, Changzeng Nonamagnesium diruthenium, Mg9Ru2 IUCrData, 2025, 10, x250305 |
| 1574416 | CIF | C14 H15 N O4 | P 1 21 1 | 7.41048; 6.29241; 28.7488 90; 94.1631; 90 | 1337.01 | Dai, Ling; Chen, Ying-Ying; Wang, Jing-Jun; Chen, Jun-Jia; Zhou, Qi-Lin Photoinduced copper-catalysed enantioselective amination of allylic and propargylic C–H bonds Chemical Science, 2025, 16, 9213-9219 |
| 1574417 | CIF | C24 H26 | P -1 | 8.7615; 10.5013; 17.8315 84.768; 83.36; 85.557 | 1619.11 | Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds Chemical Science, 2025, 16, 9117-9124 |
| 1574418 | CIF | C42 H36 | C c c a :2 | 25.7173; 13.4757; 8.5134 90; 90; 90 | 2950.4 | Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds Chemical Science, 2025, 16, 9117-9124 |
| 1574419 | CIF | C22 H32 | C 1 2/c 1 | 9.5878; 17.3304; 20.2331 90; 102.886; 90 | 3277.3 | Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds Chemical Science, 2025, 16, 9117-9124 |
| 1574420 | CIF | C325 H377 Ag4 Cl32 Cu28 P8 S16 | I 4/m | 26.5679; 26.5679; 23.7512 90; 90; 90 | 16764.9 | Nag, Abhijit; Butt, Abdul Mannan; Yang, Moon Young; Managutti, Praveen B.; Pirzada, Bilal Masood; H Mohideen, M Infas; Abdelhady, Ahmed L.; Abu Haija, Mohamed; Mohamed, Sharmarke; Merinov, Boris V.; GoddardIII, William A; Qurashi, Ahsanulhaq An atomically precise alloy AgCu cuboid nanocluster with a cubic core: gram scale synthesis, total structure, electronic structure, and catalytic performance. Materials horizons, 2025, 12, 5252-5258 |
| 1574421 | CIF Paper | Ca Cu1.42 Fe0.58 Si2 | I 4/m m m | 4.041; 4.041; 10.01 90; 90; 90 | 163.5 | Dai, Yangkun; Liu, Yibo; Mihalkovic, Marek; Wen, Bin; Zhang, Lifeng; Fan, Changzeng CaCu1.424Fe0.576Si2 IUCrData, 2025, 10, x250325 |
| 1574422 | CIF | C168 H132 N4 O8 P4 | P -1 | 17.3151; 19.776; 24.0152 104.281; 99.666; 110.711 | 7152.9 | Yang, Bo; Yan, Suqiong; Ban, Shirong; Ma, Hui; Zhang, Yuan; Feng, Fanda; Huang, Wei Customizing circularly polarized afterglow by stepwise chiral amplification in BINAPs/BINAPOs Chemical Science, 2025, 16, 9393-9405 |
| 1574423 | CIF | C12 H8 S2 | P 1 21/c 1 | 11.8295; 6.0362; 14.3214 90; 109.685; 90 | 962.86 | Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence Chemical Science, 2025, 16, 9169-9177 |
| 1574424 | CIF | C26 H16 S2 | P -1 | 7.8218; 8.1282; 16.4591 84.174; 77.024; 63.829 | 915.16 | Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence Chemical Science, 2025, 16, 9169-9177 |
| 1574425 | CIF | C18 H12 S2 | P 1 21/n 1 | 11.4034; 11.4007; 21.3464 90; 97.826; 90 | 2749.33 | Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence Chemical Science, 2025, 16, 9169-9177 |
| 1574426 | CIF | C22 H14 S2 | P 1 21/n 1 | 20.081; 11.1282; 29.075 90; 91.588; 90 | 6494.8 | Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence Chemical Science, 2025, 16, 9169-9177 |
| 1574427 | CIF | C54 H66 Cl2 P2 Pd | P 1 21/c 1 | 23.9383; 10.5614; 31.7091 90; 111.457; 90 | 7461.1 | Qadir, Muhammad I.; Chacón-Rosales, Gustavo; Ebersol, Camila P.; Abarca, Gabriel; Matias, Pedro H. F.; de Oliveira, Heibbe Cristhian B.; Pontes, Renato B.; Stieler, Rafael; Dupont, Jairton Surface palladium nanoparticles in ionic liquids modified with phosphorus ligands for enhanced catalytic semi-hydrogenation. Nanoscale, 2025, 17, 16705-16712 |
| 1574428 | CIF | Cl In14 K5 Se23 | P 1 | 9.0671; 12.1162; 12.1238 93.193; 94.436; 98.838 | 1309.06 | Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong Non-centrosymmetric structures designed rationally <i>via</i> a "dimensionality addition" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br). Materials horizons, 2025, 12, 5204-5210 |
| 1574429 | CIF | Ba Cl In18 Rb5 Se30 | P 63 c m | 14.0681; 14.0681; 19.7774 90; 90; 120 | 3389.77 | Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong Non-centrosymmetric structures designed rationally <i>via</i> a "dimensionality addition" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br). Materials horizons, 2025, 12, 5204-5210 |
| 1574430 | CIF | Ba Cl5 In22 K13 Se38 | C 1 2 1 | 25.552; 11.5176; 20.3164 90; 125.12; 90 | 4890.6 | Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong Non-centrosymmetric structures designed rationally <i>via</i> a "dimensionality addition" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br). Materials horizons, 2025, 12, 5204-5210 |
| 1574431 | CIF | Ba Cl In18 K5 Se30 | P 63 c m | 14.0037; 14.0037; 19.6844 90; 90; 120 | 3343.02 | Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong Non-centrosymmetric structures designed rationally <i>via</i> a "dimensionality addition" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br). Materials horizons, 2025, 12, 5204-5210 |
| 1574432 | CIF | Cl5 In22 K14 Li Se38 | C 1 2 1 | 25.4344; 11.4919; 20.2696 90; 125.124; 90 | 4845.8 | Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong Non-centrosymmetric structures designed rationally <i>via</i> a "dimensionality addition" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br). Materials horizons, 2025, 12, 5204-5210 |
| 1574433 | CIF | Cl In14 Rb5 Se23 | P 1 | 9.1426; 12.176; 12.2109 93.231; 94.496; 98.854 | 1335.76 | Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong Non-centrosymmetric structures designed rationally <i>via</i> a "dimensionality addition" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br). Materials horizons, 2025, 12, 5204-5210 |
| 1574434 | CIF | C17 H14 N2 O4 | C 1 2/c 1 | 25.4599; 4.8787; 23.7344 90; 107.608; 90 | 2810 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574435 | CIF | C48 H50 N8 O16 | P 1 21 1 | 9.6893; 16.7367; 15.0094 90; 99.937; 90 | 2397.51 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574436 | CIF | C14 H14 N2 O6 | P -1 | 5.198; 7.7142; 16.8659 85.429; 88.957; 83.901 | 670.3 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574437 | CIF | C17 H19 N4 O5 | P -1 | 8.2386; 9.1933; 12.2557 109.346; 104.319; 92.86 | 839.76 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574438 | CIF | C13 H12 N2 O5 | P -1 | 5.7882; 8.051; 13.3821 96.039; 91.946; 94.003 | 618.11 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574439 | CIF | C12 H8 N3 O6 | P 1 21/n 1 | 6.2329; 22.008; 9.4129 90; 99.411; 90 | 1273.8 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574440 | CIF | C26 H20 N3 O3 | P -1 | 9.7342; 10.4465; 10.8557 77.28; 86.238; 72.443 | 1026.64 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574441 | CIF | C19 H18 N4 O5 | P 1 21/c 1 | 9.0412; 24.4254; 8.6209 90; 116.71; 90 | 1700.65 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574442 | CIF | C49 H51 N7 O13 | C 1 c 1 | 9.4553; 17.6614; 28.0494 90; 93.143; 90 | 4677.03 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574443 | CIF | C15 H18 N4 O7 | P -1 | 7.1718; 8.5853; 13.748 90.289; 100.961; 106.499 | 795.26 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574444 | CIF | C17 H12 N4 O6 | P 1 21/c 1 | 13.6498; 7.3982; 16.4817 90; 106.994; 90 | 1591.71 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574445 | CIF | C17 H14 N O3 | P 1 21/c 1 | 10.6221; 11.3226; 11.5995 90; 107.861; 90 | 1327.83 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574446 | CIF | C21 H20 N2 O3 | P -1 | 7.4821; 9.4572; 13.6078 83.084; 78.243; 68.6 | 876.57 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574447 | CIF | C13 H18 N4 O6 | P 1 21/c 1 | 13.0056; 6.5779; 17.0942 90; 97.832; 90 | 1448.76 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574448 | CIF | C14 H18 N2 O2 | P 1 21/c 1 | 7.6282; 9.2277; 10.0237 90; 111.011; 90 | 658.66 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574449 | CIF | C16 H18 N4 O7 | P 1 21/n 1 | 6.9229; 10.1175; 23.0844 90; 91.161; 90 | 1616.56 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574450 | CIF | C14 H16 N2 O6 | P -1 | 7.239; 7.5083; 15.0443 77.229; 80.117; 65.746 | 724.07 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574451 | CIF | C15 H16 N2 O4 | P 1 21/c 1 | 5.5588; 9.9773; 50.1061 90; 92.693; 90 | 2775.91 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574452 | CIF | C44 H40 N6 O4 | P -1 | 8.7799; 10.0344; 11.9985 67.885; 77.744; 69.42 | 912.91 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574453 | CIF | C15 H15 N4 O3 | P 1 21/n 1 | 5.2125; 27.0087; 10.3421 90; 102.312; 90 | 1422.5 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574454 | CIF | C16 H12 N O3 | P 1 21/c 1 | 8.9136; 11.3523; 12.4921 90; 98.27; 90 | 1250.93 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574455 | CIF | C14 H14 N4 O8 | P 1 21/c 1 | 7.0215; 22.3185; 20.2612 90; 92.304; 90 | 3172.6 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574456 | CIF | C9 H11 N4 O4 | P 1 21/c 1 | 4.4079; 14.7459; 15.8719 90; 96.239; 90 | 1025.54 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574457 | CIF | C15 H14 N6 O8 | P 21 21 21 | 9.0637; 29.4253; 12.6604 90; 90; 90 | 3376.56 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574458 | CIF | C17 H14 N2 O4 | P 1 21/c 1 | 6.5495; 10.7984; 20.6573 90; 97.076; 90 | 1449.84 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574459 | CIF | C18 H19 N2 O6.5 | P -1 | 9.5205; 12.1056; 16.1549 99.092; 97.39; 105.51 | 1742.73 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574460 | CIF | C15 H15 N4 O3 | P 1 21/c 1 | 7.244; 11.3576; 17.2682 90; 97.939; 90 | 1407.11 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574461 | CIF | C16 H18 N2 O4 S | P 1 2/n 1 | 11.3891; 4.8402; 15.7088 90; 110; 90 | 813.73 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574462 | CIF | C11 H14 N2 O5 | P -1 | 5.4572; 7.3636; 15.1899 99.538; 94.453; 104.74 | 577.54 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574463 | CIF | C13 H11 N2 O | P -1 | 7.8241; 8.6299; 9.2154 112.063; 109.788; 94.584 | 527.1 | Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J. High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Chemical Science, 2025, 16, 9843-9853 |
| 1574464 | CIF | C50 H52 Dy N5 O11 P2 Se2 | P -1 | 9.6729; 11.1667; 25.6156 90.315; 92.411; 112.001 | 2562.4 | Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition Chemical Science, 2025, 16, 10340-10348 |
| 1574465 | CIF | C50 H52 Dy N5 O11 P2 Se2 | P 1 21/m 1 | 9.585; 25.97; 11.34 90; 112.62; 90 | 2606 | Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition Chemical Science, 2025, 16, 10340-10348 |
| 1574466 | CIF | C50 H52 Dy N5 O11 P2 Se2 | P -1 | 9.7055; 11.1138; 25.416 90.469; 92.518; 112.134 | 2536.1 | Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition Chemical Science, 2025, 16, 10340-10348 |
| 1574467 | CIF | C50 H52 Dy N5 O11 P2 Se2 | P 1 21/m 1 | 9.7539; 25.787; 11.2182 90; 111.587; 90 | 2623.7 | Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition Chemical Science, 2025, 16, 10340-10348 |
| 1574468 | CIF | C50 H52 Dy N5 O11 P2 Se2 | P 1 21/m 1 | 9.5847; 25.809; 11.2751 90; 112.946; 90 | 2568.4 | Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition Chemical Science, 2025, 16, 10340-10348 |
| 1574469 | CIF | C20 H19 D2 N O4 | P 1 21/c 1 | 5.8735; 17.634; 17.716 90; 95.82; 90 | 1825.4 | Wu, Yuanqing; Peng, Chuxiong; Zhan, Qichen; Lou, Xudong; Liu, Shijie; Lin, Xiaofeng; Han, Yulin; Cao, Peng; Cao, Tao Towards trans-dual deuterated cyclopropanes via photoredox synergistic deuteration with D2O Chemical Science, 2025, 16, 9535-9542 |
| 1574470 | CIF | C20 H32.03 Fe2 K2 N16 O4 | F m -3 m | 11.9108; 11.9108; 11.9108 90; 90; 90 | 1689.8 | Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition Chemical Science, 2025, 16, 9109-9116 |
| 1574471 | CIF | C10 H16 Fe K N8 O2 | P 1 21/n 1 | 11.8245; 11.7157; 11.9825 90; 91.798; 90 | 1659.15 | Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition Chemical Science, 2025, 16, 9109-9116 |
| 1574472 | CIF | C10 H16 Fe K N8 O2 | P 1 21/n 1 | 9.1365; 11.702; 15.6616 90; 102.667; 90 | 1633.71 | Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition Chemical Science, 2025, 16, 9109-9116 |
| 1574473 | CIF | C10 H16 Fe K N8 O2 | P 1 21/n 1 | 11.7784; 11.6709; 11.9663 90; 92.024; 90 | 1643.92 | Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition Chemical Science, 2025, 16, 9109-9116 |
| 1574474 | CIF | C10 H16 Fe K N8 O2 | P 1 21/n 1 | 11.6613; 11.5994; 11.9561 90; 92.675; 90 | 1615.47 | Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition Chemical Science, 2025, 16, 9109-9116 |
| 1574475 | CIF | C320 H248 N16 O136 P10 Si4 W40 | P b c n | 32.9135; 34.9741; 51.0599 90; 90; 90 | 58776.1 | Yamaguchi, Masahiro; Yonesato, Kentaro; Shioya, Kaito; Li, Chifeng; Murata, Kei; Ishii, Kazuyuki; Yamaguchi, Kazuya; Suzuki, Kosuke Engineering cofacial porphyrin dimers using lacunary polyoxotungstates Chemical Science, 2025, 16, 9178-9185 |
| 1574476 | CIF | C100 H68 N20 O124 Si4 W36 | P -1 | 28.75606; 31.5544; 34.30222 66.2043; 85.0443; 69.9358 | 26701.7 | Yamaguchi, Masahiro; Yonesato, Kentaro; Shioya, Kaito; Li, Chifeng; Murata, Kei; Ishii, Kazuyuki; Yamaguchi, Kazuya; Suzuki, Kosuke Engineering cofacial porphyrin dimers using lacunary polyoxotungstates Chemical Science, 2025, 16, 9178-9185 |
| 1574477 | CIF | C28 H28 Cu F6 N8 Si | P -1 | 12.7494; 13.2904; 13.4525 107.357; 101.738; 118.165 | 1750.18 | Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J. A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture Chemical Science, 2025, 16, 9010-9019 |
| 1574478 | CIF | C28 H28 Cu F6 N8 Si | P -1 | 12.5516; 13.1903; 13.4732 61.077; 77.461; 62.358 | 1729.48 | Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J. A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture Chemical Science, 2025, 16, 9010-9019 |
| 1574479 | CIF | C31 H29 Cu F6 N8 Si | P -1 | 12.5344; 13.1083; 13.456 60.939; 77.661; 62.396 | 1712.38 | Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J. A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture Chemical Science, 2025, 16, 9010-9019 |
| 1574480 | CIF | C28 H28 Cu F6 N8 Si | P -1 | 12.9047; 13.317; 13.4147 107.942; 101.071; 118.191 | 1769.51 | Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J. A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture Chemical Science, 2025, 16, 9010-9019 |
| 1574481 | CIF | C28 H26 Cu F6 N8 Si | P -1 | 12.5027; 13.1215; 13.376 61.138; 77.684; 62.477 | 1704.18 | Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J. A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture Chemical Science, 2025, 16, 9010-9019 |
| 1574482 | CIF | C28 H28 Cu F6 N8 Si | P -1 | 12.7993; 13.3073; 13.4067 107.373; 101.567; 118.29 | 1752.9 | Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J. A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture Chemical Science, 2025, 16, 9010-9019 |
| 1574483 | CIF | C28 H28 Cu F6 N8 Si | P -1 | 12.6837; 13.3315; 13.4082 107.043; 101.918; 118.388 | 1738.32 | Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J. A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture Chemical Science, 2025, 16, 9010-9019 |
| 1574484 | CIF | C110 H92 N8 O4.5 | P -1 | 9.7465; 10.1714; 21.346 89.847; 85.104; 75.293 | 2038.95 | Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination Chemical Science, 2025, 16, 9802-9808 |
| 1574485 | CIF | C94 H74 Ag B F4 N4 O P2 | P -1 | 12.9145; 15.9498; 19.2708 77.098; 81.031; 77.688 | 3755.75 | Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination Chemical Science, 2025, 16, 9802-9808 |
| 1574486 | CIF | C47 H34 Cl10 F12 Sb2 | P -1 | 11.056; 12.0361; 12.1017 105.769; 104.054; 116.448 | 1257.78 | Kai, Nobushige; Kono, Hideya; Stünkel, Timo; Imoto, Daiki; Zanasi, Riccardo; Monaco, Guglielmo; Summa, Francesco F.; Scott, Lawrence T.; Yagi, Akiko; Itami, Kenichiro Stable cationic nanobelts synthesized by chemical oxidation of methylene-bridged [6]cycloparaphenylene Chemical Science, 2025, 16, 9195-9202 |
| 1574487 | CIF | C17 H24 B10 O | P -1 | 10.2082; 10.3206; 10.8736 95.963; 114.424; 96.569 | 1021.64 | Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides Chemical Science, 2025, 16, 9406-9412 |
| 1574488 | CIF | C24 H38 B20 O5 Ru | P b c a | 20.4669; 12.00586; 28.6857 90; 90; 90 | 7048.73 | Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides Chemical Science, 2025, 16, 9406-9412 |
| 1574489 | CIF | C16 H21 B10 N O3 | P -1 | 10.0973; 10.5194; 10.8504 103.664; 111.893; 96.953 | 1010.78 | Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides Chemical Science, 2025, 16, 9406-9412 |
| 1574490 | CIF | C16 H21 B10 Br O | P 1 21/n 1 | 10.5191; 10.8321; 18.0396 90; 98.262; 90 | 2034.17 | Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides Chemical Science, 2025, 16, 9406-9412 |
| 1574491 | CIF | C20 H22 N2 Si | C 1 2/c 1 | 30.145; 15.0646; 21.593 90; 132.881; 90 | 7185.4 | Saadi, Lamine; Valade, Loïc; Chauvier, Clément Catalytic alkoxysilylation of C–H bonds with tert-butyl-substituted alkoxysilyldiazenes Chemical Science, 2025, 16, 9794-9801 |
| 1574492 | CIF | C18 H23 F O Si | P -1 | 6.8159; 10.7178; 12.2818 78.849; 85.474; 86.837 | 876.79 | Saadi, Lamine; Valade, Loïc; Chauvier, Clément Catalytic alkoxysilylation of C–H bonds with tert-butyl-substituted alkoxysilyldiazenes Chemical Science, 2025, 16, 9794-9801 |
| 1574493 | CIF | C20 H31 Cl4 N4 P3 | P 1 21/n 1 | 10.7944; 14.744; 17.168 90; 108.135; 90 | 2596.61 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574494 | CIF | C20 H31 Cl4 N4 P3 Se | C 1 c 1 | 12.298; 14.467; 15.947 90; 101.842; 90 | 2776.8 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574495 | CIF | C20 H31 Au Cl5 N4 P3 | P 1 21/n 1 | 8.9486; 16.9933; 18.8866 90; 90.791; 90 | 2871.74 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574496 | CIF | C20 H31 Cl4 N4 P3 S | C 1 c 1 | 12.3147; 14.3846; 15.9115 90; 101.938; 90 | 2757.6 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574497 | CIF | C40 H62 Cl2 N5 P3 | P -1 | 9.5514; 14.4875; 16.241 93.285; 93.598; 109.054 | 2112.83 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574498 | CIF | C30 H46 Cl5 N4 P3 Ru | P b c a | 20.7075; 16.7414; 21.1042 90; 90; 90 | 7316.2 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574499 | CIF | C40 H61 Cl4 N4 P3 Ru2 | P -1 | 11.5068; 15.2965; 16.8157 115.819; 91.208; 106.688 | 2515.2 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574500 | CIF | C30 H46 Cl N Ru | P 1 21/c 1 | 22.017; 14.1311; 20.335 90; 117.405; 90 | 5616.7 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574501 | CIF | C40 H62 Cl2 N5 P3 Se2 | C 1 2/c 1 | 17.9105; 9.9902; 25.0966 90; 100.54; 90 | 4414.8 | LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene Chemical Science, 2025, 16, 9820-9832 |
| 1574502 | CIF | C22 H22 N2 | P 1 21/c 1 | 6.3548; 7.1946; 19.21 90; 91.006; 90 | 878.2 | Uva, Azalea; Kim, Yaejin; Michailovich, Sofia; Hsu, Nathan S. Y.; Bain, David C.; Huang, Shine H.; Musser, Andrew J.; Tran, Helen Impact of imine bonds on the electronic properties of degradable carotenoid-based conjugated polymers Polymer Chemistry, 2025, 16, 2817-2828 |
| 1574503 | CIF Paper | C31 H28 Cl2 F2 N4 O4 | P 1 21/c 1 | 10.867; 15.2671; 19.1569 90; 97.463; 90 | 3151.4 | Nyapola, Carren; Zamisa, Sizwe J.; Omondi, Bernard; Njogu, Eric M. 5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4H-pyran-3-carbonitrile dichlomethane hemisolvate IUCrData, 2025, 10, x250337 |
| 1574504 | CIF Paper | C22 H18 N2 O | P -1 | 9.43; 9.997; 10.203 99.833; 107.559; 106.866 | 841.7 | Islam, Izarul; Kanti Roy, Pijush; Zangrando, Ennio; Gopal Karmaker, Pran; Nath Roy, Harendra 4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-kl]acridin-1(2H)-one IUCrData, 2025, 10, x250361 |
| 1574505 | CIF | C10 H15 B N2 O Si | P b c a | 8.2351; 12.2203; 24.1907 90; 90; 90 | 2434.44 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574506 | CIF | C12 H15 B N2 O3 | P 1 21/n 1 | 12.7968; 5.9025; 17.2316 90; 103.002; 90 | 1268.19 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574507 | CIF | C18 H21 B N2 | P 1 21/n 1 | 8.3573; 10.356; 17.9111 90; 94.531; 90 | 1545.33 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574508 | CIF | C59 H70 Ag3 B3 N6 O2 | P 1 21 1 | 11.843; 19.898; 12.41 90; 107.45; 90 | 2789.9 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574509 | CIF | C7 H7 B N2 O | P 1 21/c 1 | 7.6003; 7.2677; 12.3523 90; 96.378; 90 | 678.08 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574510 | CIF | C35 H41 B3 Li N7 O3 | P 1 21/c 1 | 18.1164; 12.6662; 17.0662 90; 118.098; 90 | 3454.57 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574511 | CIF | C52 H43 B6 K4 N17 O2 | P 1 2/c 1 | 13.2068; 15.3061; 14.4664 90; 106.609; 90 | 2802.3 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574512 | CIF | C17 H19 B N2 | P -1 | 12.2579; 14.7917; 14.9932 119.224; 97.468; 92.874 | 2332 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574513 | CIF | C20 H27 B N2 Si | P -1 | 6.7806; 19.1991; 22.5503 83.564; 85.956; 83.743 | 2894.7 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574514 | CIF | C60 H63 Au3 B3 N6 | P -1 | 12.05; 14.853; 15.153 82.33; 87.07; 83.93 | 2671 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574515 | CIF | C86 H112 B4 Br2 Mg4 N8 O3 | P -1 | 15.0166; 16.5087; 19.7579 70.547; 74.162; 76.507 | 4388.02 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574516 | CIF | C50 H68 B2 Li2 N4 O4 | P -1 | 12.1298; 14.725; 19.7956 89.493; 81.215; 81.463 | 3455.18 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574517 | CIF | C64 H62 B4 N4 O4 | P 1 21/n 1 | 14.941; 18.7016; 20.4482 90; 110.607; 90 | 5348.07 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574518 | CIF | C68 H72 B4 N8 Na4 | P -4 21 c | 22.5318; 22.5318; 24.2167 90; 90; 90 | 12294.4 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574519 | CIF | C79 H90 B4 Li4 N8 | P -1 | 13.503; 14.233; 21.0535 83.073; 73.678; 66.26 | 3554.45 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574520 | CIF | C68 H72 B4 K4 N8 | P -4 21 c | 22.279; 22.279; 25.8166 90; 90; 90 | 12814.2 | Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation Chemical Science, 2025, 16, 9934-9942 |
| 1574521 | CIF | C358 H312 Ag22 Cl8 F40 O42 P14 Pt2 S10 | P -1 | 19.063; 19.742; 27.214 79.311; 78.555; 63.042 | 8894 | Tan, Dong; Ding, Tengfei; Shen, Kaidong; Xu, Chang; Jin, Shan; Hu, Daqiao; Sun, Song; Zhu, Manzhou Icosahedron kernel defect in Pt1Agx series of bimetallic nanoclusters enhances photocatalytic hydrogen evolution Chemical Science, 2025, 16, 9326-9336 |
| 1574522 | CIF | C27 H35 O4 | P 1 21/n 1 | 14.2241; 11.8676; 14.8052 90; 111.477; 90 | 2325.7 | Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B Chemical Science, 2025, 16, 9943-9950 |
| 1574523 | CIF | C16 H22 O3 | P 1 21/c 1 | 13.05; 15.376; 7.436 90; 103.521; 90 | 1450.7 | Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B Chemical Science, 2025, 16, 9943-9950 |
| 1574524 | CIF | C22 H19 F3 O4 | P 1 21/c 1 | 6.6232; 15.1691; 18.739 90; 91.374; 90 | 1882.1 | Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B Chemical Science, 2025, 16, 9943-9950 |
| 1574525 | CIF | C23 H25 Cl3 O3 | P -1 | 8.6471; 11.616; 11.779 91.132; 107.559; 99.486 | 1109.5 | Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B Chemical Science, 2025, 16, 9943-9950 |
| 1574526 | CIF | C3 H7 N O2 | P 21 21 21 | 5.79932; 5.94057; 12.2815 90; 90; 90 | 423.113 | Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ, 2025, 12 |
| 1574527 | CIF | C3 H7 N O2 | P 21 21 21 | 5.8033; 5.95953; 12.2978 90; 90; 90 | 425.32 | Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ, 2025, 12 |
| 1574528 | CIF | C3 H7 N O2 | P 21 21 21 | 5.80343; 5.98084; 12.3143 90; 90; 90 | 427.422 | Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ, 2025, 12 |
| 1574529 | CIF | C3 H7 N O2 | P 21 21 21 | 5.803; 6.0038; 12.333 90; 90; 90 | 429.68 | Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ, 2025, 12 |
| 1574530 | CIF | C2 H7 N O3 S | P 1 21/c 1 | 5.27398; 11.655; 7.8107 90; 93.993; 90 | 478.94 | Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ, 2025, 12 |
| 1574531 | CIF | C2 H7 N O3 S | P 1 21/c 1 | 5.274; 11.6462; 7.8849 90; 94.073; 90 | 483.08 | Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ, 2025, 12 |
| 1574532 | CIF | C2 H7 N O3 S | P 1 21/c 1 | 5.2794; 11.6513; 7.9226 90; 94.112; 90 | 486.08 | Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ, 2025, 12 |
| 1574533 | CIF | C24 H14 F2 N2 O2 Pt | P b c a | 12.49474; 7.51825; 40.9329 90; 90; 90 | 3845.18 | Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes Chemical Science, 2025, 16, 9135-9142 |
| 1574534 | CIF | C39 H31 F2 N3 P Pt | P 1 21/m 1 | 11.297; 11.9689; 12.4494 90; 107.362; 90 | 1606.62 | Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes Chemical Science, 2025, 16, 9135-9142 |
| 1574535 | CIF | C36 H24 F2 N3 O P Pt | P -1 | 11.2485; 13.3692; 13.834 67.612; 80.744; 65.92 | 1756.2 | Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes Chemical Science, 2025, 16, 9135-9142 |
| 1574536 | CIF | C38 H27 F3 N2 O3 P Pt | P -1 | 11.7209; 12.2296; 12.3631 80.842; 74.977; 72.509 | 1626.08 | Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes Chemical Science, 2025, 16, 9135-9142 |
| 1574537 | CIF | C38 H27 F3 N3 O P Pt S | P -1 | 12.1153; 12.2147; 13.0461 75.692; 73.659; 61.642 | 1615.52 | Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes Chemical Science, 2025, 16, 9135-9142 |
| 1574538 | CIF | C50 H45 F3 N3 O3 P Pt | P 1 21/n 1 | 12.972; 22.815; 14.119 90; 91.864; 90 | 4176.4 | Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes Chemical Science, 2025, 16, 9135-9142 |
| 1574539 | CIF | C37 H26 Cl2 F2 N3 P Pt S | P -1 | 12.223; 14.921; 18.193 101.507; 97.929; 95.935 | 3190.8 | Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes Chemical Science, 2025, 16, 9135-9142 |
| 1574540 | CIF | C137.5 H141 Cl5 O2 | P 21 21 2 | 34.8651; 29.9134; 11.7879 90; 90; 90 | 12294 | Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism Chemical Science, 2025, 16, 9978-9987 |
| 1574541 | CIF | C135.75 H143 Cl1.5 O4.75 | P 21 21 2 | 35.148; 30.1006; 11.795 90; 90; 90 | 12478.8 | Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism Chemical Science, 2025, 16, 9978-9987 |
| 1574542 | CIF | C145 H168 O7 | P -1 | 15.0587; 16.355; 25.5956 85.232; 78.91; 88.617 | 6164.5 | Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism Chemical Science, 2025, 16, 9978-9987 |
| 1574543 | CIF | C136.12 H142.25 Cl2.25 O2 | P -1 | 14.4766; 26.96; 32.5283 95.858; 100.307; 99.533 | 12204.1 | Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism Chemical Science, 2025, 16, 9978-9987 |
| 1574544 | CIF | C135.25 H144.75 Cl3 O4.88 | P 1 21/n 1 | 23.0691; 30.9414; 33.7278 90; 95.416; 90 | 23967.1 | Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism Chemical Science, 2025, 16, 9978-9987 |
| 1574545 | CIF | C8 H11 N O | P 1 c 1 | 9.1243; 9.6491; 8.7744 90; 104.232; 90 | 748.8 | Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. IUCrJ, 2025, 12 |
| 1574546 | CIF | C8 H11 N O | P -1 | 5.4977; 8.9826; 14.6789 85.742; 89.93; 81.52 | 714.96 | Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. IUCrJ, 2025, 12 |
| 1574547 | CIF | C32 H47 N5 O7 | P 1 21 1 | 9.1192; 19.0384; 10.0172 90; 95.648; 90 | 1730.69 | Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. IUCrJ, 2025, 12 |
| 1574548 | CIF | C16.67 H24 N3.33 O4 | R -3 c :H | 17.23677; 17.23677; 62.5877 90; 90; 120 | 16103.9 | Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. IUCrJ, 2025, 12 |
| 1574549 | CIF | C13 H14 O3 | P 1 21 1 | 6.5249; 7.7533; 11.3333 90; 103.142; 90 | 558.33 | Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade Chemical Science, 2025, 16, 9436-9440 |
| 1574550 | CIF | C12 H11 F O2 | P 1 21/c 1 | 8.1406; 5.8085; 19.8674 90; 92.646; 90 | 938.42 | Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade Chemical Science, 2025, 16, 9436-9440 |
| 1574551 | CIF | C47 H54 O10 P2 S2 | P -1 | 10.742; 19.392; 24.568 112.731; 90.393; 102.666 | 4581 | Gu, Haoran; Tong, Yao; Xu, Hongli; Wang, Cheng; Xu, Bowei; Geng, Dongling; Bu, Laju; Ye, Long; Deng, Yunfeng; Geng, Yanhou A cathode interlayer based on an indandione-terminated quinoidal compound enables 19% efficiency in binary organic solar cells. Materials horizons, 2025, 12, 5380-5387 |
| 1574552 | CIF Paper | C9 H9 Cl O | P 1 21/c 1 | 5.4485; 20.347; 7.486 90; 102.123; 90 | 811.4 | Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, Tim 3-Chloropropiophenone IUCrData, 2025, 10, x250349 |
| 1574553 | CIF | C21 H23 Br N2 O2 | P 1 21/n 1 | 9.43; 9.489; 21.189 90; 93.651; 90 | 1892.2 | Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M. Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines Chemical Science, 2025, 16, 9863-9871 |
| 1574554 | CIF | C27 H27 Br N2 O2 | P 1 21/c 1 | 11.85; 49.858; 8.0771 90; 90.083; 90 | 4772.1 | Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M. Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines Chemical Science, 2025, 16, 9863-9871 |
| 1574555 | CIF | C26 H26 N2 O2 | P 1 21/c 1 | 19.64; 6.144; 17.135 90; 94.127; 90 | 2062.3 | Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M. Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines Chemical Science, 2025, 16, 9863-9871 |
| 1574556 | CIF | C14 H9 N3 O6 Se | P 1 2/c 1 | 11.3555; 9.1502; 7.1692 90; 99.648; 90 | 734.38 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574557 | CIF | C12 H8 N2 O4 S Se | P 1 21/c 1 | 3.8144; 22.357; 15.964 90; 93.581; 90 | 1358.7 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574558 | CIF | C14 H9 Br N2 O4 Se | P 1 2/c 1 | 11.154; 9.184; 7.3865 90; 99.177; 90 | 747 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574559 | CIF | C14 H11 N3 O4 Se | P 1 21/m 1 | 6.8417; 12.3348; 8.5209 90; 102.207; 90 | 702.83 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574560 | CIF | C15 H12 N2 O4 Se | P 1 21/m 1 | 7.4596; 12.3445; 8.6525 90; 112.155; 90 | 737.94 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574561 | CIF | C11 H6 Br N O4 Se0.5 | P 1 21/m 1 | 3.8992; 37.6399; 7.7471 90; 95.702; 90 | 1131.38 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574562 | CIF | C24 H25 Cl N2 O7 | P 1 21/n 1 | 14.6695; 8.4232; 19.7536 90; 108.105; 90 | 2319.99 | Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm, 2025, 27, 3214-3218 |
| 1574563 | CIF | C49.75 H61.3 Cl3 K N4 O18.15 | P -1 | 12.0536; 14.4733; 17.464 90.685; 105.563; 108.209 | 2772.69 | Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm, 2025, 27, 3214-3218 |
| 1574564 | CIF | C48 H56 Cl3 K N4 O19.6 | P 1 21/n 1 | 15.1444; 23.9026; 15.8158 90; 103.663; 90 | 5563.2 | Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm, 2025, 27, 3214-3218 |
| 1574565 | CIF | C14 H24 N6 O7 S2 | P -1 | 7.294; 7.2975; 11.5957 100.092; 95.3125; 118.993 | 520.1 | Spencer, Rochelle B.; Yusov, Anna; Dillon, Alexandra M.; Tiwari, Akash; Arteaga, Oriol; Sburlati, Sophia; Whittaker, St John; Wu, Wantong; Chen, Sixian; Shtukenberg, Alexander G.; Ward, Michael D.; Kahr, Bart; Lee, Stephanie S. Guest removal from ring-banded guanidinium organosulfonate hydrogen-bonded frameworks. Nanoscale, 2025, 17, 13727-13736 |
| 1574566 | CIF | C35 H57 N9 O10 | P 1 21 1 | 16.67; 6.012; 40.37 90; 91.8; 90 | 4044 | Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine Chemical Science, 2025, 16, 10512-10522 |
| 1574567 | CIF | C15 H27 N3 O4 | P 1 21 1 | 6.4996; 10.573; 12.7837 90; 93.148; 90 | 877.17 | Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine Chemical Science, 2025, 16, 10512-10522 |
| 1574568 | CIF | C19 H34 N4 O5 | P 21 21 21 | 6.3004; 12.6013; 31.7505 90; 90; 90 | 2520.8 | Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine Chemical Science, 2025, 16, 10512-10522 |
| 1574569 | CIF | C38 H68 N8 O10 | P 21 21 21 | 5.9846; 22.8259; 31.5688 90; 90; 90 | 4312.42 | Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine Chemical Science, 2025, 16, 10512-10522 |
| 1574570 | CIF | C4 H8 Br4 Cu5 N O8 | C 1 2/m 1 | 11.4744; 11.478; 12.5186 90; 103.243; 90 | 1604.9 | Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks Chemical Science, 2025, 16, 11027-11038 |
| 1574571 | CIF | C4 H4 Br4 Cu5 K O8 | C 1 2/m 1 | 11.3847; 11.3964; 12.3227 90; 103.363; 90 | 1555.52 | Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks Chemical Science, 2025, 16, 11027-11038 |
| 1574572 | CIF | C8 H8 Br8 Cu10 O16 Rb2 | C 1 2/m 1 | 11.4433; 11.455; 12.605 90; 103.207; 90 | 1608.6 | Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks Chemical Science, 2025, 16, 11027-11038 |
| 1574573 | CIF | C4 H4 Br4 Cu5 Na O8 | P 1 21/c 1 | 12.1357; 11.1746; 11.1684 90; 103.214; 90 | 1474.46 | Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks Chemical Science, 2025, 16, 11027-11038 |
| 1574574 | CIF | C32 H26 N6 | P b c a | 9.0736; 14.8909; 19.28 90; 90; 90 | 2605 | Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence Chemical Science, 2025, 16, 10523-10531 |
| 1574575 | CIF | C68 H68 N8 | P -1 | 7.7794; 9.85; 18.6746 78.986; 81.955; 71.468 | 1326.95 | Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence Chemical Science, 2025, 16, 10523-10531 |
| 1574576 | CIF | C42 H44 N6 O4 | C 1 2 1 | 72.2732; 9.2167; 24.9319 90; 92.577; 90 | 16590.9 | Li, Zhipeng; Zhang, Jingyang; Zhu, Wanmeng; Wang, Tianyi; Tang, Yefeng; Wang, Jian N-Heterocyclic carbene-catalyzed enantioselective (dynamic) kinetic resolution for the assembly of inherently chiral macrocycles Chemical Science, 2025, 16, 11021-11026 |
| 1574577 | CIF | C83 H76 Cl3 F6 N2 O6 P2 Rh2 S2 | P -1 | 13.6732; 15.7373; 17.8565 91.328; 91.152; 102.706 | 3746 | Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P. L/Z-ligand type amphoterism of an acridinium unit Chemical Science, 2025, 16, 10852-10856 |
| 1574578 | CIF | C33 H25 Cl F3 N O3 P Rh S | C 1 2/c 1 | 27.264; 9.5891; 22.664 90; 93.997; 90 | 5910.8 | Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P. L/Z-ligand type amphoterism of an acridinium unit Chemical Science, 2025, 16, 10852-10856 |
| 1574579 | CIF | C41 H41 Cl F3 N3 O4 P Rh S | P 1 21/n 1 | 13.056; 12.3746; 25.291 90; 102.588; 90 | 3987.9 | Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P. L/Z-ligand type amphoterism of an acridinium unit Chemical Science, 2025, 16, 10852-10856 |
| 1574580 | CIF | C18 H31 N30 Na2 O13 Pu | P -1 | 9.559; 14.5429; 14.775 88.144; 74.108; 79.653 | 1943.02 | Bai, Zhuanling; Martelles, Madeline C.; Sperling, Joseph M.; Albrecht, Thomas E. Unveiling the covalency of versatile Pu(iii)-N bonds in a unique plutonium(iii) complex Chemical Science, 2025, 16, 10424-10431 |
| 1574581 | CIF | C91 H72 Cl N8 O3 Re | P -1 | 20.0184; 21.3728; 22.6375 83.5455; 74.0558; 79.746 | 9143.4 | Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene Chemical Science, 2025, 16, 9966-9977 |
| 1574582 | CIF | C98 H88 Cl3 N8 O3 Re | C 1 2/c 1 | 24.578; 35.7337; 21.4113 90; 102.624; 90 | 18350.2 | Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene Chemical Science, 2025, 16, 9966-9977 |
| 1574583 | CIF | C53 H47 Br2 N3 O4 | C 1 2/c 1 | 38.3843; 7.1312; 33.4701 90; 97.967; 90 | 9073.2 | Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior Chemical Science, 2025, 16, 9988-9997 |
| 1574584 | CIF | C52 H37 Br2 N3 | C 1 2/c 1 | 38.4139; 7.1583; 33.7745 90; 98.265; 90 | 9190.8 | Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior Chemical Science, 2025, 16, 9988-9997 |
| 1574585 | CIF | C52 H37 Br2 N3 | C 1 2/c 1 | 38.581; 7.1035; 33.75 90; 98.022; 90 | 9159 | Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior Chemical Science, 2025, 16, 9988-9997 |
| 1574586 | CIF | C73 H56 Cl N6 Pd2 | P -1 | 13.1747; 15.032; 15.0828 87.387; 80.397; 77.998 | 2880.6 | Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming 3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application Chemical Science, 2025, 16, 10701-10713 |
| 1574587 | CIF | C80 H98 N6 Pt2 | P 1 21/c 1 | 17.465; 19.39; 20.394 90; 97.86; 90 | 6841 | Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming 3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application Chemical Science, 2025, 16, 10701-10713 |
| 1574588 | CIF | C52 H42 N10 Pd2 | C 1 2/c 1 | 19.9715; 17.5055; 13.1183 90; 109.737; 90 | 4316.9 | Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming 3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application Chemical Science, 2025, 16, 10701-10713 |
| 1574589 | CIF | C59 H54 Cl2 N6 Pd2 | P 1 | 12.4062; 12.6181; 19.276 102.182; 95.522; 118.581 | 2520.9 | Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming 3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application Chemical Science, 2025, 16, 10701-10713 |
| 1574590 | CIF | C69 H72 Cl2 N6 Pd2 | C 1 2/c 1 | 28.787; 14.0679; 18.2253 90; 125.365; 90 | 6018.9 | Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming 3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application Chemical Science, 2025, 16, 10701-10713 |
| 1574591 | CIF | C48 H43 N9 Pd2 | P 1 21/c 1 | 20.022; 13.1386; 17.551 90; 114.783; 90 | 4191.8 | Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming 3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application Chemical Science, 2025, 16, 10701-10713 |
| 1574592 | CIF | C16 H12 | P 21 21 21 | 6.4618; 7.8144; 22.3901 90; 90; 90 | 1130.59 | Bello-García, Jesús; Varela, Jesús A.; Saá, Carlos Transition metal-free vs. metal-catalyzed cyclotrimerization of didehydro[8]annulenes (COTynes): a complex pathway to non-planar PAHs – Dewar benzenes vs. benzotri[8]annulenes Chemical Science, 2025, 16, 10874-10880 |
| 1574593 | CIF | C24 H18 | P -1 | 9.4244; 9.6598; 10.1931 75.257; 82.012; 67.21 | 826.5 | Bello-García, Jesús; Varela, Jesús A.; Saá, Carlos Transition metal-free vs. metal-catalyzed cyclotrimerization of didehydro[8]annulenes (COTynes): a complex pathway to non-planar PAHs – Dewar benzenes vs. benzotri[8]annulenes Chemical Science, 2025, 16, 10874-10880 |
| 1574594 | CIF | C134 H134 Cl6 N28 | P -1 | 13.0765; 17.2821; 30.4781 75.352; 81.6; 71.934 | 6318.2 | Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao A conformationally adaptable tetrahedral cage with different guest encapsulation models Chemical Science, 2025, 16, 10867-10873 |
| 1574595 | CIF | C169 H217 Cl10.02 N29 O5 | F d -3 :2 | 32.4774; 32.4774; 32.4774 90; 90; 90 | 34256.6 | Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao A conformationally adaptable tetrahedral cage with different guest encapsulation models Chemical Science, 2025, 16, 10867-10873 |
| 1574596 | CIF | C155 H183 Cl3 Cs2 F12 N30 O15 S4 | P -1 | 15.9658; 16.1176; 33.451 81.578; 82.615; 84.009 | 8412.3 | Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao A conformationally adaptable tetrahedral cage with different guest encapsulation models Chemical Science, 2025, 16, 10867-10873 |
| 1574597 | CIF | C18 H19 N3 S | C 1 2 1 | 20.1236; 7.0187; 12.0117 90; 97.82; 90 | 1680.77 | Liu, Fayu; Guo, Yanqi; Lu, Weidong; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong Precise construction of spiro stereocenters via enantioselective radical addition through modulating photocatalysis from redox to energy transfer Chemical Science, 2025, 16, 10555-10562 |
| 1574598 | CIF | C22 H34 B2 O4 | P 1 21/c 1 | 13.1753; 15.5076; 12.1845 90; 115.425; 90 | 2248.4 | Hu, Jiefeng; Zhang, Kun; Wang, Jing; Huang, Mingming; Chen, Shuangru; Shi, Zhuangzhi; Marder, Todd B. Synthesis of gem-di(boryl)cyclopropanes from non-activated olefins via Mn-photocatalyzed atom transfer radical addition Chemical Science, 2025, 16, 10595-10601 |
| 1574599 | CIF | C26 H26 N4 O12 Zn2 | P 21 21 2 | 8.6082; 11.3392; 14.3006 90; 90; 90 | 1395.88 | Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices Chemical Science, 2025, 16, 10742-10749 |
| 1574600 | CIF | C25 H23 N5 O12 Zn2 | P 21 21 2 | 8.5077; 11.3704; 14.5983 90; 90; 90 | 1412.18 | Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices Chemical Science, 2025, 16, 10742-10749 |
| 1574601 | CIF | C26 H24.64 N4 O14 Zn2 | P 1 21 1 | 8.5192; 11.39; 15.0392 90; 92.267; 90 | 1458.17 | Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices Chemical Science, 2025, 16, 10742-10749 |
| 1574602 | CIF | C2.6 H0.05 N0.4 O1.2 Zn0.2 | P 21 21 2 | 8.5952; 11.3099; 14.1931 90; 90; 90 | 1379.72 | Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices Chemical Science, 2025, 16, 10742-10749 |
| 1574603 | CIF | C26 H24 N5 O12 Zn2 | P 21 21 2 | 11.3801; 8.5624; 14.6534 90; 90; 90 | 1427.84 | Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices Chemical Science, 2025, 16, 10742-10749 |
| 1574604 | CIF | C24 H22 N4 O14 Zn2 | P 1 21 1 | 8.5446; 11.378; 14.9531 90; 92.073; 90 | 1452.8 | Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices Chemical Science, 2025, 16, 10742-10749 |
| 1574605 | CIF | C172 H142 Au15 B O3 P6 S4 | P -1 | 16.8358; 21.2426; 24.1864 84.4; 77.881; 89.447 | 8416.3 | Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances Chemical Science, 2025, 16, 10273-10281 |
| 1574606 | CIF | C172 H136 Au15 B F6 O3 P6 S4 | P -1 | 16.7395; 22.413; 23.67 99.314; 101.816; 97.815 | 8445.3 | Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances Chemical Science, 2025, 16, 10273-10281 |
| 1574607 | CIF | C148 H120 Au15 Cl2 O3 P6 S4 | P -1 | 20.472; 21.4293; 22.513 115.818; 93.462; 90.36 | 8868.6 | Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances Chemical Science, 2025, 16, 10273-10281 |
| 1574608 | CIF | C32 H23 B Cl P | P -1 | 9.851; 10.45; 24.6569 102.218; 95.717; 90.27 | 2467.55 | Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J. Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions Chemical Science, 2025, 16, 10857-10866 |
| 1574609 | CIF | C32 H23 B Cl P S | P -1 | 10.5356; 10.8441; 11.7844 92.322; 97.327; 107.799 | 1266.93 | Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J. Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions Chemical Science, 2025, 16, 10857-10866 |
| 1574610 | CIF | C32 H23 B Cl P Se | P -1 | 10.2944; 11.0077; 13.5352 112.771; 99.45; 106.35 | 1290.76 | Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J. Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions Chemical Science, 2025, 16, 10857-10866 |
| 1574611 | CIF | C140 H115 B4 O3 P4 S2 | P 1 21/c 1 | 19.9273; 23.9626; 23.7599 90; 108.182; 90 | 10779.1 | Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J. Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions Chemical Science, 2025, 16, 10857-10866 |
| 1574612 | CIF | C32 H23 B Cl O P | P -1 | 10.3156; 10.4528; 12.703 92.231; 109.039; 105.061 | 1238.79 | Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J. Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions Chemical Science, 2025, 16, 10857-10866 |
| 1574613 | CIF | C135 H100 B4 O2 P4 | C 1 2/c 1 | 21.7774; 19.7933; 25.0274 90; 98.776; 90 | 10661.7 | Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J. Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions Chemical Science, 2025, 16, 10857-10866 |
| 1574614 | CIF | C140 H116 B4 O3 P4 Se2 | P 1 21/c 1 | 19.994; 23.911; 23.8368 90; 108.362; 90 | 10815.6 | Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J. Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions Chemical Science, 2025, 16, 10857-10866 |
| 1574615 | CIF | C138 H97 B4 Cl2 F13 N2 O8 P4 S4 | P -1 | 12.9579; 14.3772; 18.444 74.792; 71.244; 63.367 | 2879.91 | Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J. Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions Chemical Science, 2025, 16, 10857-10866 |
| 1574616 | CIF | C63 H48 N12 O6 Zn | P 1 21/n 1 | 9.5187; 20.2959; 27.6279 90; 97.854; 90 | 5287.4 | Wang, Rongqi; Wang, Ruxue; Chen, Zeqin; Li, Laiwen; Zong, Xinyu; Wang, Jing; Zong, Ziao A stable Zn-coordination polymer for the quantitative and selective detection of biomarker phenylglyoxylic acid in urine. Analytical methods : advancing methods and applications, 2025, 17, 4639-4645 |
| 1574617 | CIF | C47 H76 Al K N2 O Si2 | P -1 | 14.4106; 15.4214; 24.1204 101.438; 105.322; 103.955 | 4816.59 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574618 | CIF | C58 H106 Al K N2 O7 Si2 | P 1 21/n 1 | 16.7297; 22.5628; 17.7034 90; 104.568; 90 | 6467.64 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574619 | CIF | C94 H152 Al2 K2 N4 O2 Si4 | C 1 2/c 1 | 22.4566; 18.6939; 23.7291 90; 107.299; 90 | 9510.91 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574620 | CIF | C60 H102 Al K N2 O7 Si2 | P n m a | 13.527; 23.8483; 20.0037 90; 90; 90 | 6453.11 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574621 | CIF | C59 H99 Al F K N2 O7 Si2 | P n m a | 13.3496; 23.9758; 20.1328 90; 90; 90 | 6443.9 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574622 | CIF | C60.5 H112 Al K N2 O7 Si2 | P 1 21/n 1 | 15.8565; 22.3423; 19.5531 90; 102.317; 90 | 6767.6 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574623 | CIF | C74 H130 Al K N2 O7 Si2 | P 1 21/n 1 | 14.8101; 24.0778; 22.5799 90; 98.984; 90 | 7953.1 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574624 | CIF | C60 H102 Al K N2 O7 Si2 | P n m a | 13.527; 23.8483; 20.0037 90; 90; 90 | 6453.11 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574625 | CIF | C151 H177 Al2 K2 N4 O4 | P 1 2/n 1 | 20.4545; 14.2108; 45.7301 90; 96.745; 90 | 13200.6 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574626 | CIF | C175 H253 Al2 K2 N4 O16 Si4 | P -1 | 11.5727; 26.0715; 28.9632 88.405; 79.773; 89.78 | 8596.53 | Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation Chemical Science, 2025, 16, 10750-10758 |
| 1574627 | CIF | C43 H51 Cl2 Co N3 | I -4 2 d | 22.7671; 22.7671; 14.8686 90; 90; 90 | 7707 | Wang, Yizhou; Wang, Zheng; Zhang, Qiuyue; Wang, Quanchao; Solan, Gregory A.; Duan, Xuelei; Ma, Yanping; Gao, Jiahao; Zhou, Zhe; Sun, Wen-Hua Ultra-low-molecular-weight PE wax using a cyclohexyl-fused bis(imino)pyridine-cobalt catalyst functionalized with a remote para-phenyl group Polymer Chemistry, 2025, 16, 2718-2731 |
| 1574628 | CIF | C37 H39 Cl2 Co N3 | F d d 2 | 33.7269; 32.778; 14.0568 90; 90; 90 | 15539.8 | Wang, Yizhou; Wang, Zheng; Zhang, Qiuyue; Wang, Quanchao; Solan, Gregory A.; Duan, Xuelei; Ma, Yanping; Gao, Jiahao; Zhou, Zhe; Sun, Wen-Hua Ultra-low-molecular-weight PE wax using a cyclohexyl-fused bis(imino)pyridine-cobalt catalyst functionalized with a remote para-phenyl group Polymer Chemistry, 2025, 16, 2718-2731 |
| 1574629 | CIF Paper | C18 H23 F N2 O6 S | C 1 c 1 | 13.271; 13.904; 11.206 90; 105.547; 90 | 1992.1 | Abdul Manan, Mohd Abdul Fatah; Cordes, David B. tert-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate IUCrData, 2025, 10, x250385 |
| 1574630 | CIF Paper | C10 H15 N O | P b c a | 9.5469; 8.983; 21.8191 90; 90; 90 | 1871.2 | Detert, Heiner; Schollmeyer, Dieter N-[(1Z)-Cyclodec-5-yn-1-ylidene]hydroxylamine IUCrData, 2025, 10, x250414 |
| 1574631 | CIF Paper | C16 H16 N2 O3 | P 1 21/n 1 | 5.5676; 33.185; 7.6949 90; 90.325; 90 | 1421.7 | Uppu, Rao M.; Agu, Ogad A.; Babu, Sainath; Mensah, Patrick F.; Fronczek, Frank R. N,N′-[Oxybis(benzene-4,1-diyl)]diacetamide IUCrData, 2025, 10, x250384 |
| 1574632 | CIF Paper | C10 H9 Br O | P -1 | 5.5734; 8.1618; 10.6194 98.577; 96.441; 102.546 | 461 | Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, Tim (E)-1-(4-Bromophenyl)but-2-en-1-one IUCrData, 2025, 10, x250415 |
| 1574633 | CIF Paper | C8 H8 N4 Se2 | P 1 21/n 1 | 7.2217; 15.6664; 8.4925 90; 90.11; 90 | 960.82 | Schollmeyer, Dieter; Detert, Heiner 4,12-Diselena-5,6,13,14-tetraazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),5,13-tetraene IUCrData, 2025, 10, x250324 |
| 1574634 | CIF Paper | C21 H14 Br N3 O3 | P -1 | 7.4809; 10.5655; 12.0412 97.593; 104.947; 94.357 | 905.43 | Naghiyev, Farid N.; Hökelek, Tuncer; Khrustalev, Victor N.; Khalilov, Ali N.; Belay, Alebel N. 2′-Amino-5′-benzoyl-5-bromo-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-3′-carbonitrile IUCrData, 2025, 10, x250374 |
| 1574635 | CIF Paper | C48 H64 Cl4 N6 Zn | P 1 21/c 1 | 14.0683; 18.4885; 17.7569 90; 93.407; 90 | 4610.44 | Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate IUCrData, 2025, 10, x250356 |
| 1574636 | CIF | C27 H26 Br Cl Co N7 O5 | P -1 | 9.1862; 12.1495; 14.5113 111.807; 96.893; 100.568 | 1446.42 | Kukreti, Prashant; Chauhan, Rahul; Ghosh, Kaushik A passage from pincer complexes to rationally designed phosphine-free Co(iii) catalysts supported by a pentadentate ligand for activation of alcohols: studies on sp3 C–H alkylation of 9H-fluorene and quinoline synthesis Catalysis Science & Technology, 2025, 15, 3816-3826 |
| 1574637 | CIF | C50 H46 Cl4 Co2 N12 O10 | P -1 | 8.6873; 16.7926; 18.9662 85.258; 76.904; 86.461 | 2683 | Kukreti, Prashant; Chauhan, Rahul; Ghosh, Kaushik A passage from pincer complexes to rationally designed phosphine-free Co(iii) catalysts supported by a pentadentate ligand for activation of alcohols: studies on sp3 C–H alkylation of 9H-fluorene and quinoline synthesis Catalysis Science & Technology, 2025, 15, 3816-3826 |
| 1574638 | CIF | C13 H16 O2 | P 1 21 1 | 8.9792; 6.2593; 11.4802 90; 111.827; 90 | 598.97 | Shao, Sufang; Yuan, Yang; Schmoll, Alban; Wu, Xiao-Feng Copper-catalyzed asymmetric carbonylative hydroallylation of vinylarenes Chemical Science, 2025, 16, 10951-10956 |
| 1574639 | CIF | C6 H14 Br3 Mn N O | P 21 21 21 | 7.7707; 8.041; 19.5459 90; 90; 90 | 1221.31 | Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides Chemical Science, 2025, 16, 11012-11020 |
| 1574640 | CIF | C6 H14 Br3 Mn N O | P 21 21 21 | 7.7824; 8.0325; 19.5413 90; 90; 90 | 1221.57 | Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides Chemical Science, 2025, 16, 11012-11020 |
| 1574641 | CIF | C9 H23 Cd5 N37 O10 | P 63/m m c | 13.099; 13.099; 13.416 90; 90; 120 | 1993.56 | Wang, Jia-Wen; Fan, Shu-Cong; Yuan, Wenyu; Wang, Ying; Zhai, Quan-Guo Inter-cluster-linker-absence-enabled sub-Ångstrom pore modulation in a metal–organic framework for multi-scenario CO2 capture Chemical Science, 2025, 16, 11447-11455 |
| 1574642 | CIF | C76 H186 Ag19 O28 P12 Rh Se24 | P 1 21/n 1 | 30.227; 17.3463; 33.229 90; 112.607; 90 | 16084 | Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W. Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands. Nanoscale, 2025, 17, 13502-13509 |
| 1574643 | CIF | C72 H169 Ag20 O24 P12 Rh Se24 | I 2 3 | 32.578; 32.578; 32.578 90; 90; 90 | 34576 | Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W. Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands. Nanoscale, 2025, 17, 13502-13509 |
| 1574644 | CIF | C72 H168 Ag21 O24 P12 Rh Se24 | P -1 | 16.0696; 18.3134; 29.837 81.936; 76.8308; 64.9124 | 7733.7 | Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W. Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands. Nanoscale, 2025, 17, 13502-13509 |
| 1574645 | CIF | C98 H104 In4 O70 Ti12 | P -4 21 c | 19.7706; 19.7706; 15.9534 90; 90; 90 | 6235.81 | Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian Ligand effect on In-Ti-oxo nanoclusters for nanolithography. Materials horizons, 2025, 12, 6283-6290 |
| 1574646 | CIF | C92 H112 In4 O78 Ti12 | P -4 21 c | 19.6806; 19.6806; 15.9007 90; 90; 90 | 6158.8 | Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian Ligand effect on In-Ti-oxo nanoclusters for nanolithography. Materials horizons, 2025, 12, 6283-6290 |
| 1574647 | CIF | C92 H68 In4 N12 O88 Ti12 | P 1 21/n 1 | 18.855; 16.9266; 31.0947 90; 103.552; 90 | 9647.6 | Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian Ligand effect on In-Ti-oxo nanoclusters for nanolithography. Materials horizons, 2025, 12, 6283-6290 |
| 1574648 | CIF | C106 H114 In4 O66 Ti12 | P 1 21/n 1 | 26.2798; 20.9981; 31.0613 90; 107.447; 90 | 16351.9 | Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian Ligand effect on In-Ti-oxo nanoclusters for nanolithography. Materials horizons, 2025, 12, 6283-6290 |
| 1574649 | CIF | C96 H87 F12 In4 O68 Ti12 | P 1 21/n 1 | 19.908; 22.5594; 32.932 90; 104.374; 90 | 14327.2 | Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian Ligand effect on In-Ti-oxo nanoclusters for nanolithography. Materials horizons, 2025, 12, 6283-6290 |
| 1574650 | CIF | C36 H41 B N2 | P 1 21/n 1 | 11.5762; 19.2982; 13.3269 90; 99.97; 90 | 2932.3 | Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C. Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species Chemical Science, 2025, 16, 11841-11848 |
| 1574651 | CIF | C18 H15 B N4 | P 1 21/n 1 | 5.7579; 15.6788; 16.3799 90; 94.763; 90 | 1473.62 | Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C. Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species Chemical Science, 2025, 16, 11841-11848 |
| 1574652 | CIF | C35 H44 B N | P 1 21/n 1 | 10.2681; 17.857; 15.4419 90; 100.302; 90 | 2785.74 | Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C. Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species Chemical Science, 2025, 16, 11841-11848 |
| 1574653 | CIF | C28 H34 B N O | P 1 21/c 1 | 11.0019; 13.4954; 16.5173 90; 100.269; 90 | 2413.1 | Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C. Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species Chemical Science, 2025, 16, 11841-11848 |
| 1574654 | CIF | C78 H76 B2 N6 | P -1 | 10.8373; 12.1312; 13.6657 84.39; 72.008; 68.497 | 1589.59 | Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C. Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species Chemical Science, 2025, 16, 11841-11848 |
| 1574655 | CIF | C37 H43 B N2 O | C 1 2/c 1 | 20.64; 13.099; 22.222 90; 96.787; 90 | 5965.9 | Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C. Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species Chemical Science, 2025, 16, 11841-11848 |
| 1574656 | CIF | C72 H64 B3 F15 N2 | P -1 | 13.063; 15.942; 21.12 92.077; 107.094; 109.231 | 3926 | Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C. Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species Chemical Science, 2025, 16, 11841-11848 |
| 1574657 | CIF | C45 H50 B N3 | P 1 21/c 1 | 17.458; 14.7741; 16.2688 90; 104.417; 90 | 4064 | Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C. Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species Chemical Science, 2025, 16, 11841-11848 |
| 1574658 | CIF | C15 H16 O3 | C 1 2 1 | 22.8543; 7.3211; 19.097 90; 126.949; 90 | 2553.6 | Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien Bio-inspired total synthesis of daphnepapytone A Chemical Science, 2025, 16, 11375-11380 |
| 1574659 | CIF | C15 H20 O3 | P 1 21 1 | 7.2282; 14.1294; 13.1197 90; 90.972; 90 | 1339.7 | Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien Bio-inspired total synthesis of daphnepapytone A Chemical Science, 2025, 16, 11375-11380 |
| 1574660 | CIF | C15 H18 O2 | P 21 21 2 | 17.7579; 19.141; 7.3717 90; 90; 90 | 2505.7 | Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien Bio-inspired total synthesis of daphnepapytone A Chemical Science, 2025, 16, 11375-11380 |
| 1574661 | CIF | C15 H18 O3 | P 32 | 7.6126; 7.6126; 18.9125 90; 90; 120 | 949.17 | Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien Bio-inspired total synthesis of daphnepapytone A Chemical Science, 2025, 16, 11375-11380 |
| 1574662 | CIF | C15 H18 O2 | P 21 21 21 | 9.7955; 10.5156; 12.1712 90; 90; 90 | 1253.7 | Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien Bio-inspired total synthesis of daphnepapytone A Chemical Science, 2025, 16, 11375-11380 |
| 1574663 | CIF | C15 H18 O2 | P 1 21 1 | 9.4319; 5.7056; 23.0001 90; 95.478; 90 | 1232.09 | Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien Bio-inspired total synthesis of daphnepapytone A Chemical Science, 2025, 16, 11375-11380 |
| 1574664 | CIF | C21 H34 O2 Si | P 1 | 7.43; 10.0076; 14.9814 96.641; 101.339; 99.843 | 1063.22 | Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien Bio-inspired total synthesis of daphnepapytone A Chemical Science, 2025, 16, 11375-11380 |
| 1574665 | CIF | C15 H16 O3 | P 21 21 21 | 8.8918; 10.034; 13.7443 90; 90; 90 | 1226.27 | Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien Bio-inspired total synthesis of daphnepapytone A Chemical Science, 2025, 16, 11375-11380 |
| 1574666 | CIF | C19 H18 N2 O6 S | P -1 | 8.2636; 10.5834; 12.5316 72.073; 74.008; 67.285 | 946.44 | Morales-Ortega, Guillermo; Merino, Estíbaliz; Carreras, Javier Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides Chemical Science, 2025, 16, 11413-11418 |
| 1574667 | CIF | C12 H36 K4 O4 Si4 | F -4 3 c | 17.5314; 17.5314; 17.5314 90; 90; 90 | 5388.28 | Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects Chemical Science, 2025, 16, 11151-11160 |
| 1574668 | CIF | C82 H112 K4 O4 Si4 | P -1 | 12.8781; 16.8307; 19.5417 100.859; 90.423; 94.841 | 4143.76 | Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects Chemical Science, 2025, 16, 11151-11160 |
| 1574669 | CIF | C44 H68 B10 Bi I N4 Si2 | P 1 21/c 1 | 13.6332; 18.0507; 21.0915 90; 95.283; 90 | 5168.33 | Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand Chemical Science, 2025, 16, 10826-10832 |
| 1574670 | CIF | C88 H160 B20 Bi2 K2 N8 O6 Si4 | P -1 | 10.0567; 14.8404; 19.9981 70.8; 86.199; 84.365 | 2803.2 | Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand Chemical Science, 2025, 16, 10826-10832 |
| 1574671 | CIF | C33 H56 B10 Bi F3 N4 O3 S Si2 | P 1 21/n 1 | 15.6606; 10.1951; 27.7238 90; 93.696; 90 | 4417.21 | Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand Chemical Science, 2025, 16, 10826-10832 |
| 1574672 | CIF | C46 H72 B10 Bi N4 Si2 | C m c m | 23.2329; 18.601; 13.6308 90; 90; 90 | 5890.6 | Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand Chemical Science, 2025, 16, 10826-10832 |
| 1574673 | CIF | C36 H61 B10 Bi Cl2 F6 N4 O6 S2 Si2 | P 1 21/n 1 | 16.1469; 18.081; 18.3593 90; 98.144; 90 | 5306 | Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand Chemical Science, 2025, 16, 10826-10832 |
| 1574674 | CIF | C35 H12 N5 O16 Zr | P 1 21/c 1 | 14.6563; 21.5556; 11.8123 90; 102.996; 90 | 3636.2 | Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework Chemical Science, 2025, 16, 11939-11948 |
| 1574675 | CIF | C38 H19 Hf0.99 N6 O17 | P 1 21/c 1 | 14.6361; 21.52; 11.8409 90; 103.015; 90 | 3633.7 | Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework Chemical Science, 2025, 16, 11939-11948 |
| 1574676 | CIF | C12 H23 N14 O16 Y | F d d 2 | 67.056; 6.1193; 11.4807 90; 90; 90 | 4710.9 | Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng “Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity Chemical Science, 2025, 16, 10983-10989 |
| 1574677 | CIF | C12 H23 Lu N14 O16 | F d d 2 | 66.982; 6.1537; 11.6511 90; 90; 90 | 4802.4 | Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng “Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity Chemical Science, 2025, 16, 10983-10989 |
| 1574678 | CIF | C12 H23 Gd N14 O16 | F d d 2 | 67.4247; 6.1474; 11.6319 90; 90; 90 | 4821.27 | Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng “Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity Chemical Science, 2025, 16, 10983-10989 |
| 1574679 | CIF | C8 H21 Br N O | P 1 21/c 1 | 9.06; 10.028; 13.559 90; 109.52; 90 | 1161.1 | Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores Chemical Science, 2025, 16, 11530-11538 |
| 1574680 | CIF | C16 H38 Br2 N2 | P b c a | 11.9427; 11.6291; 28.3098 90; 90; 90 | 3931.75 | Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores Chemical Science, 2025, 16, 11530-11538 |
| 1574681 | CIF | C20 H44 I2 N4 | P -1 | 7.1074; 9.9391; 10.6725 66.333; 86.755; 85.466 | 688.09 | Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores Chemical Science, 2025, 16, 11530-11538 |
| 1574682 | CIF | C16 H38 I2 N2 | C 1 2/c 1 | 18.646; 13.3913; 14.6422 90; 135.346; 90 | 2569.6 | Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores Chemical Science, 2025, 16, 11530-11538 |
| 1574683 | CIF | C14 H38 Br2 N2 O2 | P 1 21/n 1 | 7.9725; 10.1116; 12.9668 90; 103.377; 90 | 1016.95 | Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores Chemical Science, 2025, 16, 11530-11538 |
| 1574684 | CIF | C14 H34 Br2 N2 | P 1 21/n 1 | 5.8652; 12.012; 13.5766 90; 98.999; 90 | 944.74 | Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores Chemical Science, 2025, 16, 11530-11538 |
| 1574685 | CIF | C16 H38 I2 N2 | C 1 2/c 1 | 18.6422; 13.4664; 13.1607 90; 128.465; 90 | 2586.9 | Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores Chemical Science, 2025, 16, 11530-11538 |
| 1574686 | CIF | C32 H20 N4 O2 | P -4 | 14.1034; 14.1034; 11.6089 90; 90; 90 | 2309.08 | Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer Chemical Science, 2025, 16, 10714-10721 |
| 1574687 | CIF | C30 H17 Br N2 O3 S | P n n a | 12.364; 35.4478; 13.1495 90; 90; 90 | 5763.12 | Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer Chemical Science, 2025, 16, 10714-10721 |
| 1574688 | CIF | C50 H32 B2 F8 N4 O2 Pd | P 4/n c c :2 | 20.0536; 20.0536; 24.3689 90; 90; 90 | 9799.88 | Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer Chemical Science, 2025, 16, 10714-10721 |
| 1574689 | CIF | C64 H40 N8 | P -1 | 11.2428; 12.0593; 16.9374 97.179; 90.825; 103.73 | 2210.96 | Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer Chemical Science, 2025, 16, 10714-10721 |
| 1574690 | CIF | C52 H36 Cl4 N4 O2 | C 1 2/c 1 | 33.5543; 14.9016; 18.9507 90; 91.387; 90 | 9472.82 | Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer Chemical Science, 2025, 16, 10714-10721 |
| 1574691 | CIF | C12 H15 N O2 | P 21 21 21 | 9.6701; 10.4891; 11.1372 90; 90; 90 | 1129.65 | Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes Polymer Chemistry, 2025, 16, 3030-3040 |
| 1574692 | CIF | C73 H86 Cl2 N4 O8 Zn4 | P 1 21 1 | 13.6104; 17.3943; 14.6731 90; 100.815; 90 | 3412.06 | Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes Polymer Chemistry, 2025, 16, 3030-3040 |
| 1574693 | CIF | C83 H84 Cl2 N6 O10 Zn4 | P -1 | 13.3644; 16.4964; 17.4218 76.404; 85.521; 84.815 | 3711.6 | Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes Polymer Chemistry, 2025, 16, 3030-3040 |
| 1574694 | CIF | C33 H25 B N2 | P 21 21 21 | 7.4246; 11.3666; 28.6369 90; 90; 90 | 2416.7 | Wu, Hao; Shi, Yi-Zhong; Li, Mo-Yuan; Fan, Xiao-Chun; Wang, Hui; Zhang, Tong-Yuan; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong Geometric control of multi-resonance backbone DABNA for narrowband deep-blue electroluminescence. Materials horizons, 2025, 12, 5839-5845 |
| 1574695 | CIF | C46 H64 Cl2 O3 | P 1 21/n 1 | 13.12; 14.55; 22.23 90; 97.27; 90 | 4209.5 | Hillier, Bethany K.; de Clercq, Damon M.; Bortolussi, Stephen D. S.; Capomolla, Simona S.; Nielsen, Michael P.; Młodzikowska-Pieńko, Katarzyna; Gershoni-Poranne, Renana; Schmidt, Timothy W.; Peeks, Martin D. Photoexcited and ground-state diradical(oid) character in a triquino[3]radialene Chemical Science, 2025, 16, 11331-11338 |
| 1574696 | CIF | C14 I3 Rb | P m -3 m | 7.3138; 7.3138; 7.3138 90; 90; 90 | 391.23 | Li, Kai; Li, Zhi-Gang; Gong, Yong-Ji; Chen, Yong-Qiang; Li, Wei Luminescent 3D chiral hybrid metal-halide perovskites for piezoelectric energy harvesting and ultrasound detection. Materials horizons, 2025, 12, 6183-6188 |
| 1574697 | CIF | C14 I3 Rb | P m -3 m | 7.3079; 7.3079; 7.3079 90; 90; 90 | 390.281 | Li, Kai; Li, Zhi-Gang; Gong, Yong-Ji; Chen, Yong-Qiang; Li, Wei Luminescent 3D chiral hybrid metal-halide perovskites for piezoelectric energy harvesting and ultrasound detection. Materials horizons, 2025, 12, 6183-6188 |
| 1574698 | CIF | C7 H16 I3 N2 Rb | P 31 2 1 | 10.0749; 10.0749; 25.0784 90; 90; 120 | 2204.51 | Li, Kai; Li, Zhi-Gang; Gong, Yong-Ji; Chen, Yong-Qiang; Li, Wei Luminescent 3D chiral hybrid metal-halide perovskites for piezoelectric energy harvesting and ultrasound detection. Materials horizons, 2025, 12, 6183-6188 |
| 1574699 | CIF | C7 H16 I3 N2 Rb | P 31 2 1 | 10.0809; 10.0809; 25.1213 90; 90; 120 | 2210.91 | Li, Kai; Li, Zhi-Gang; Gong, Yong-Ji; Chen, Yong-Qiang; Li, Wei Luminescent 3D chiral hybrid metal-halide perovskites for piezoelectric energy harvesting and ultrasound detection. Materials horizons, 2025, 12, 6183-6188 |
| 1574700 | CIF | C26 H24 Br N O2 | P 1 21/c 1 | 12.1999; 8.1197; 22.711 90; 103.927; 90 | 2183.61 | Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy Chemical Science, 2025, 16, 11833-11840 |
| 1574701 | CIF | C26 H25 N O2 | P -1 | 13.8148; 17.2854; 19.668 79.694; 74.868; 68.162 | 4190.8 | Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy Chemical Science, 2025, 16, 11833-11840 |
| 1574702 | CIF | C48 H42 O7 P2 S2 | P -1 | 9.2113; 13.5991; 17.3584 98.176; 93.192; 106.95 | 2047.9 | Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture Chemical Science, 2025, 16, 11858-11869 |
| 1574703 | CIF | C50 H55 O11 P2 S2 | P 1 21/n 1 | 13.4375; 19.787; 18.4255 90; 106.827; 90 | 4689.4 | Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture Chemical Science, 2025, 16, 11858-11869 |
| 1574704 | CIF | C104 H98 O15 P4 S4 | P -1 | 10.5835; 14.1726; 17.216 70.458; 77.061; 71.936 | 2292.7 | Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture Chemical Science, 2025, 16, 11858-11869 |
| 1574705 | CIF | C188 H174 O33 P8 S8 | P 1 21/n 1 | 11.9946; 20.218; 17.2493 90; 99.561; 90 | 4125 | Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture Chemical Science, 2025, 16, 11858-11869 |
| 1574706 | CIF | C18 H18 O3 S | C 1 2/c 1 | 19.0857; 5.32972; 31.1946 90; 92.5193; 90 | 3170.09 | Robert, Emma G. L.; Waser, Jerome Enantioselective synthesis of 1,2-disubstituted thiocyclobutanes via Michael addition Chemical Science, 2025, 16, 12115-12121 |
| 1574707 | CIF | C16 H17 N O5 S | P 21 21 21 | 5.01559; 9.23324; 32.6513 90; 90; 90 | 1512.09 | Robert, Emma G. L.; Waser, Jerome Enantioselective synthesis of 1,2-disubstituted thiocyclobutanes via Michael addition Chemical Science, 2025, 16, 12115-12121 |
| 1574708 | CIF | C30 H59 Lu N4 O Si2 | P -1 | 10.8839; 12.7424; 14.5075 92.618; 111.642; 95.234 | 1855.52 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574709 | CIF | C30 H59 N4 O Si2 Yb | P -1 | 10.8997; 12.7508; 14.5651 92.614; 111.711; 95.266 | 1865.78 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574710 | CIF | C31 H55 B10 Dy N4 O | P n m a | 19.6499; 12.8542; 14.7748 90; 90; 90 | 3731.9 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574711 | CIF | C31 H55 B10 Lu N4 O | P n m a | 19.576; 12.8163; 14.6969 90; 90; 90 | 3687.3 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574712 | CIF | C30 H59 Er N4 O Si2 | P -1 | 10.9104; 12.7977; 14.5426 92.761; 111.614; 95.34 | 1872.1 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574713 | CIF | C30 H59 N4 O Si2 Y | P -1 | 10.9337; 12.8057; 14.5859 92.758; 111.668; 95.442 | 1881.72 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574714 | CIF | C30 H59 Dy N4 O Si2 | P -1 | 10.9353; 12.829; 14.6085 92.672; 111.785; 95.539 | 1886.6 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574715 | CIF | C31 H55 B10 N4 O Y | P n m a | 19.6514; 12.8413; 14.7801 90; 90; 90 | 3729.8 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574716 | CIF | C31 H55 B10 N4 O Yb | P n m a | 19.6191; 12.8389; 14.7285 90; 90; 90 | 3709.9 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574717 | CIF | C31 H55 B10 Er N4 O | P n m a | 19.5; 12.603; 14.677 90; 90; 90 | 3607 | Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles Chemical Science, 2025, 16, 11870-11887 |
| 1574718 | CIF Paper | C28 H18 N8 O4 Pt S4 | C 1 2/c 1 | 14.5669; 10.8981; 19.4595 90; 98.782; 90 | 3053 | Welton, Claire E.; Reinheimer, Eric W.; Smucker, Bradley W. Bis(4,4′-bipyridin-1-ium) cis-bis(1,2-dicyano-2-sulfidoethene-1-sulfinato-κ2 S,S′)platinate(2−) IUCrData, 2025, 10, x250383 |
| 1574719 | CIF | C19 H18 O3 | P b c a | 10.8872; 8.5462; 32.7304 90; 90; 90 | 3045.37 | Tang, Si-Yuan; Wang, Zhan-Jie; Wu, Jin-Jiao; Xing, Zhi-Xi; Du, Ze-Yi; Huang, Huan-Ming Photocatalytic synthesis of 2-oxabicyclo[2.1.1]hexanes: cobalt-enhanced efficiency Chemical Science, 2025, 16, 11908-11917 |
| 1574720 | CIF | C29 H35 B I2 N2 | P -1 | 8.2052; 10.8597; 16.6641 81.45; 76.195; 82.52 | 1419 | Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation Chemical Science, 2025, 16, 11637-11643 |
| 1574721 | CIF | C51 H62 B2 Br2 N4 | P 1 21/c 1 | 7.8531; 15.449; 37.9294 90; 91.692; 90 | 4599.68 | Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation Chemical Science, 2025, 16, 11637-11643 |
| 1574722 | CIF | C44 H54 B2 N4 | P 1 21/n 1 | 13.9101; 15.7838; 17.893 90; 104.378; 90 | 3805.44 | Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation Chemical Science, 2025, 16, 11637-11643 |
| 1574723 | CIF | C31 H43 B N4 | P -1 | 14.1122; 14.2169; 16.813 97.552; 101.359; 101.845 | 3184.39 | Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation Chemical Science, 2025, 16, 11637-11643 |
| 1574724 | CIF | C44 H56 B2 N4 | P -4 21 c | 18.9063; 18.9063; 23.2427 90; 90; 90 | 8308.06 | Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation Chemical Science, 2025, 16, 11637-11643 |
| 1574725 | CIF | C66 H82 B3 I N6 | P 1 21/c 1 | 15.6024; 21.2733; 21.6009 90; 93.274; 90 | 7157.95 | Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation Chemical Science, 2025, 16, 11637-11643 |
| 1574726 | CIF | C12 H14 N2 O3 | P -1 | 5.2172; 8.9168; 13.0925 79.389; 78.628; 76.805 | 575.14 | Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles Chemical Science, 2025, 16, 11464-11467 |
| 1574727 | CIF | C13 H15 N O3 | P -1 | 5.2939; 10.5894; 11.1328 102.318; 100.925; 94.671 | 593.83 | Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles Chemical Science, 2025, 16, 11464-11467 |
| 1574728 | CIF | C9 H7 N O3 | P 1 21/c 1 | 10.4696; 11.1571; 7.1041 90; 108.043; 90 | 789.03 | Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles Chemical Science, 2025, 16, 11464-11467 |
| 1574729 | CIF | C45 H36 Cl4 F15 Fe N P2 | P 1 c 1 | 15.931; 15.9306; 18.5289 90; 89.979; 90 | 4702.5 | Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand Chemical Science, 2025, 16, 11949-11953 |
| 1574730 | CIF | C15 H5 F15 Ru | P 1 21/c 1 | 7.3204; 15.6095; 14.6724 90; 90.01; 90 | 1676.58 | Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand Chemical Science, 2025, 16, 11949-11953 |
| 1574731 | CIF | C22 H16 Cl2 F15 N3 Ru | P 1 21 1 | 11.6437; 11.1515; 12.204 90; 116.484; 90 | 1418.3 | Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand Chemical Science, 2025, 16, 11949-11953 |
| 1574732 | CIF | C40 H22 N4 | C m c 21 | 23.294; 16.771; 8.709 90; 90; 90 | 3402 | Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties Chemical Science, 2025, 16, 11989-11998 |
| 1574733 | CIF | C56 H54 N4 | P 1 21/c 1 | 16.3865; 10.2297; 35.16 90; 103.138; 90 | 5739.6 | Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties Chemical Science, 2025, 16, 11989-11998 |
| 1574734 | CIF | C88 H50 N8 | P -1 | 16.2336; 17.0377; 17.1281 66.243; 67.979; 89.261 | 3966 | Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties Chemical Science, 2025, 16, 11989-11998 |
| 1574735 | CIF | C33 H31 N4 | C 1 2/c 1 | 22.1999; 10.492; 21.9787 90; 98.613; 90 | 5061.58 | Bartos, Paulina; Szamweber, Patrycja; Camargo, Bruno; Pietrzak, Anna; Kaszyński, Piotr Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system Chemical Science, 2025, 16, 12139-12147 |
| 1574736 | CIF | C25 H14 N4 O | P 1 21/n 1 | 7.4588; 23.524; 19.4019 90; 92.652; 90 | 3400.6 | Bartos, Paulina; Szamweber, Patrycja; Camargo, Bruno; Pietrzak, Anna; Kaszyński, Piotr Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system Chemical Science, 2025, 16, 12139-12147 |
| 1574737 | CIF | C106 H171 Ca2 N7 O | P -1 | 12.6865; 13.1676; 16.5859 82.572; 88.483; 63.757 | 2462.78 | Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon Chemical Science, 2025, 16, 12058-12067 |
| 1574738 | CIF | C82 H130 Ca N5 | P -1 | 13.598; 14.8279; 21.9613 75.108; 77.232; 64.237 | 3823.4 | Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon Chemical Science, 2025, 16, 12058-12067 |
| 1574739 | CIF | C87 H139 Ca N5 | P -1 | 13.482; 16.3223; 20.27 68.531; 87.284; 76.379 | 4030.6 | Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon Chemical Science, 2025, 16, 12058-12067 |
| 1574740 | CIF | C83 H123 Ca N5 | P 1 21/c 1 | 17.1763; 17.4722; 26.166 90; 108.952; 90 | 7426.9 | Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon Chemical Science, 2025, 16, 12058-12067 |
| 1574741 | CIF | C184 H294 Ca4 N8 O9 | P -1 | 18.2798; 18.3492; 27.9435 77.99; 77.694; 75.337 | 8740.62 | Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon Chemical Science, 2025, 16, 12058-12067 |
| 1574742 | CIF | C49 H47 Fe3 N2 O18 | P b c a | 17.1268; 20.8958; 27.5204 90; 90; 90 | 9849 | Dhillon, Arshminder Kaur; Jhilta, Agrim; Ladhi, Ritu; Bagdwal, Harshita; Singh, Ashi; Verma, Rahul K.; Singh, Monika A biomimetic Fe(III)-metal-organic framework nanosphere-based dual modal probe for aqueous and intracellular sensing of nicotine and its metabolite cotinine. Nanoscale, 2025, 17, 14630-14636 |
| 1574743 | CIF | C18 H29 B F4 N3 Rh | C 1 2 1 | 20.6843; 8.2612; 15.1611 90; 117.168; 90 | 2304.9 | Böth, André; Kaltwasser, Florian; Priedigkeit, Christian; Atwi, Boshra; Frey, Wolfgang; Buchmeiser, Michael R.; Tallarek, Ulrich Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow Catalysis Science & Technology, 2025, 15, 4012-4023 |
| 1574744 | CIF | C26 H31 B Cl2 F4 N3 Rh | P -1 | 9.756; 11.147; 13.527 75.446; 83.737; 73.626 | 1365 | Böth, André; Kaltwasser, Florian; Priedigkeit, Christian; Atwi, Boshra; Frey, Wolfgang; Buchmeiser, Michael R.; Tallarek, Ulrich Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow Catalysis Science & Technology, 2025, 15, 4012-4023 |
| 1574745 | CIF | C20 H34 N2 O4 | C 1 2/c 1 | 26.4619; 6.3388; 26.1419 90; 101.877; 90 | 4291.08 | Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade Chemical Science, 2025, 16, 11508-11518 |
| 1574746 | CIF | C19 H24 N2 O2 | P 1 21/c 1 | 9.7265; 14.7461; 12.5014 90; 108.624; 90 | 1699.16 | Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade Chemical Science, 2025, 16, 11508-11518 |
| 1574747 | CIF | C320 H480 Au Cu56 O36 S44 | P a -3 | 33.347; 33.347; 33.347 90; 90; 90 | 37082.6 | Gratious, Saniya; Li, Bo; Mondal, Dipanjana; Kumar, Alok; Varghese, Dayona Aleyamma; Thomas, Jibin; Jiang, De-en; Kamble, Vinayak; Mandal, Sukhendu Identifying the superatomic AuCu56 nanocluster through a ligand-exchange coupled metal-exchange induced transformation Chemical Science, 2025, 16, 11849-11857 |
| 1574748 | CIF | C340 H254 Ce24 F30 N26 O96 | P -1 | 20.8735; 21.7898; 23.7135 63.3967; 73.8571; 62.094 | 8490.27 | Brown, Stephen E.; Pike, Sebastian D. Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects Chemical Science, 2025, 16, 11659-11668 |
| 1574749 | CIF | C400 H284 Ce24 N14 O96 | P b c n | 26.0526; 42.5286; 35.9018 90; 90; 90 | 39778.5 | Brown, Stephen E.; Pike, Sebastian D. Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects Chemical Science, 2025, 16, 11659-11668 |
| 1574750 | CIF | C92 H152 Ce4 N4 O24 | P 65 | 14.1138; 14.1138; 93.9953 90; 90; 120 | 16215.3 | Brown, Stephen E.; Pike, Sebastian D. Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects Chemical Science, 2025, 16, 11659-11668 |
| 1574751 | CIF | C260 H170 Ce24 F30 N10 O96 | P -1 | 20.7633; 21.881899; 38.498501 84.238; 82.416; 84.442 | 17188.7 | Brown, Stephen E.; Pike, Sebastian D. Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects Chemical Science, 2025, 16, 11659-11668 |
| 1574752 | CIF | C300 H230 Ce24 N18 O96 | P 1 21/n 1 | 21.8344; 26.493099; 25.106501 90; 90.701; 90 | 14522 | Brown, Stephen E.; Pike, Sebastian D. Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects Chemical Science, 2025, 16, 11659-11668 |
| 1574753 | CIF | C315 H287 Ce24 N15 O126 | P 1 21/c 1 | 36.1757; 25.1668; 42.5226 90; 110.7; 90 | 36214.5 | Brown, Stephen E.; Pike, Sebastian D. Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects Chemical Science, 2025, 16, 11659-11668 |
| 1574754 | CIF | C365 H335 Ce24 N25 O96 | P -1 | 23.5031; 24.4019; 32.8406 90.467; 95.3987; 91.1491 | 18746.5 | Brown, Stephen E.; Pike, Sebastian D. Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects Chemical Science, 2025, 16, 11659-11668 |
| 1574755 | CIF | C400 H464 Ce24 N14 O96 | P 1 2/c 1 | 43.6537; 27.5054; 40.9209 90; 103.985; 90 | 47677.8 | Brown, Stephen E.; Pike, Sebastian D. Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects Chemical Science, 2025, 16, 11659-11668 |
| 1574756 | CIF | C7 H6 I Na O4 S | P 1 21/c 1 | 20.6719; 6.0409; 8.4029 90; 97.775; 90 | 1039.68 | Xia, Zhen; Deng, Ting; Song, Chunlan; Li, Jiakun Decarboxylative sulfation by persulfates Chemical Science, 2025, 16, 11568-11573 |
| 1574757 | CIF | C26 H72 Cl6 N6 O27 Pr2 | P -1 | 9.9445; 11.2448; 13.1854 94.789; 109.861; 99.596 | 1351.64 | Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms. Chemical science, 2025, 16, 12558-12567 |
| 1574758 | CIF | C26 H37 Eu N6 O11 | P 1 21/n 1 | 11.1441; 37.436; 14.4231 90; 90.594; 90 | 6016.9 | Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms. Chemical science, 2025, 16, 12558-12567 |
| 1574759 | CIF | C26 H44 Cl4 N6 O11 | C 1 2/c 1 | 22.176; 12.8958; 12.8625 90; 109.236; 90 | 3473 | Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms. Chemical science, 2025, 16, 12558-12567 |
| 1574760 | CIF | C18 H34 N6 O4 | P b a m | 21.9337; 5.4237; 9.0915 90; 90; 90 | 1081.54 | Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms. Chemical science, 2025, 16, 12558-12567 |
| 1574761 | CIF | C26 H39 Cl2 N6 O11 Pr | C 1 2/c 1 | 16.5314; 19.3002; 9.6305 90; 93.348; 90 | 3067.5 | Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms. Chemical science, 2025, 16, 12558-12567 |
| 1574762 | CIF | C26 H50 N6 O16 | P -1 | 12.6858; 12.9121; 20.6862 93.56; 96.977; 90.562 | 3356.3 | Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms. Chemical science, 2025, 16, 12558-12567 |
| 1574763 | CIF | C26 H57 Eu N6 Na O21.5 | P -1 | 9.8498; 14.4593; 15.2054 71.824; 84.744; 85.628 | 2046.3 | Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms. Chemical science, 2025, 16, 12558-12567 |
| 1574764 | CIF | C26 H42 Cl N6 O13 Pr | C 1 2/c 1 | 19.8316; 19.2254; 19.0053 90; 95.647; 90 | 7211 | Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms. Chemical science, 2025, 16, 12558-12567 |
| 1574765 | CIF Paper | C15 H16 Cd Cl2 N4 S | P 1 21/c 1 | 8.58301; 7.87355; 26.1616 90; 93.6036; 90 | 1764.47 | Parry, Christian S.; Kwabi-Addo, Bernard; Ramadhar, Timothy R.; Butcher, Raymond J. Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II) IUCrData, 2025, 10, x250464 |
| 1574766 | CIF Paper | C25 H20 N2 O2 S2 | P -1 | 9.1997; 15.1692; 16.7138 110.129; 100.749; 94.2372 | 2127.3 | Dassonneville, Benjamin; Detert, Heiner; Schollmeyer, Dieter (3Z)-4-Methyl-9-(4-methylbenzenesulfonyl)-N-phenyl-3H,9H-thiopyrano[3,4-b]indol-3-imine IUCrData, 2025, 10, x250475 |
| 1574767 | CIF Paper | C11 H17 N O21.294 Pr2 | P -1 | 9.9236; 10.3042; 12.9748 66.684; 80.942; 66.66 | 1118.69 | Khurshid, Aaqib; Rujiwatra, Apinpus; Chuasaard, Thammanoon Poly[[tetraaqua(μ3-4-hydroxypyridine-2,6-dicarboxylato)di-μ2-oxalato-dipraseodymium(III)] 4.29-hydrate] IUCrData, 2025, 10, x250456 |
| 1574768 | CIF Paper | C20 H20 Fe N2 O3 | P -1 | 9.244; 10.3415; 11.0093 65.358; 66.714; 81.236 | 878.59 | Nyapola, Carren; Juma, David O.; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard 2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate IUCrData, 2025, 10, x250468 |
| 1574769 | CIF Paper | C15 H15 N O2 | C 1 2/c 1 | 16.418; 9.9205; 15.2137 90; 95.722; 90 | 2465.58 | He, Fang; Long, Sihui 2-Methyl-4-[(4-methylphenyl)amino]benzoic acid IUCrData, 2025, 10, x250455 |
| 1574770 | CIF Paper | C14 H11 N3 O8 S2 | P 1 21/n 1 | 7.8421; 12.3037; 16.0821 90; 96.081; 90 | 1542.98 | Tsemeugne, Joseph; Djossu, Didier Forest Kouganou; Schollmeyer, Dieter; Mkounga, Pierre 2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate IUCrData, 2025, 10, x250478 |
| 1574771 | CIF | C20 H26 Cr2 O20 S4 | P 1 21/c 1 | 11.006; 7.772; 18.214 90; 93.509; 90 | 1555.1 | Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli Solvent-free construction of Cr(iii)-sulfonate coordination polymers Chemical Science, 2025, 16, 11823-11832 |
| 1574772 | CIF | C9 H10 Cr O11 S3 | P 1 21/c 1 | 9.9289; 9.5629; 15.88 90; 103.656; 90 | 1465.2 | Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli Solvent-free construction of Cr(iii)-sulfonate coordination polymers Chemical Science, 2025, 16, 11823-11832 |
| 1574773 | CIF | C15 H17 Cr O13 S3 | P 1 21/c 1 | 11.0056; 23.4923; 7.6371 90; 97.235; 90 | 1958.83 | Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli Solvent-free construction of Cr(iii)-sulfonate coordination polymers Chemical Science, 2025, 16, 11823-11832 |
| 1574774 | CIF | C12 H7 Cr O11 S2 | P 1 21/m 1 | 10.666; 6.555; 11.7 90; 92.118; 90 | 817.5 | Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli Solvent-free construction of Cr(iii)-sulfonate coordination polymers Chemical Science, 2025, 16, 11823-11832 |
| 1574775 | CIF | C2.42 H2.12 N0.3 O0.12 | P -1 | 10.7014; 13.0096; 13.6186 90.271; 111.301; 98.392 | 1744.12 | Kumar, Ram; Singh, Bholey; Kakkar, Rita; Mittal, Avneesh; Pani, Balaram Rhodamine-based turn-on fluorescent and colorimetric chemosensor for selective Pb<sup>2+</sup> detection: insights from crystal structure, molecular docking, real sample analysis, and logic gate applications. Analytical methods : advancing methods and applications, 2025, 17, 4812-4830 |
| 1574776 | CIF | C189.15 H185.84 Cl24 N29.26 O3.62 Pd12 | P 1 21 1 | 14.31918; 51.9317; 19.4811 90; 91.266; 90 | 14483 | Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework. Chemical science, 2025, 16, 12303-12308 |
| 1574777 | CIF | C190.16 H189.64 Cl24 N29.41 O3.18 Pd12 | P 1 21 1 | 14.31918; 51.9317; 19.4811 90; 91.266; 90 | 14483 | Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework. Chemical science, 2025, 16, 12303-12308 |
| 1574778 | CIF | C205.13 H211.99 Cl24 N33.58 O8.86 Pd12 | P 1 21 1 | 14.3167; 52.183; 19.5516 90; 91.168; 90 | 14603.7 | Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework. Chemical science, 2025, 16, 12303-12308 |
| 1574779 | CIF | C200.14 H203.01 Cl24 N31.63 O10.62 Pd12 | P 1 21 1 | 14.3191; 52.5328; 19.6294 90; 91.234; 90 | 14762.3 | Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework. Chemical science, 2025, 16, 12303-12308 |
| 1574780 | CIF | C36 H12 O12 Zn3 | P 63/m m c | 20.8662; 20.8662; 3.1649 90; 90; 120 | 1193.38 | Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF. Chemical science, 2025, 16, 12416-12420 |
| 1574781 | CIF | C36 H12 O12 Zn3 | P -6 2 c | 20.8662; 20.8662; 9.4948 90; 90; 120 | 3580.17 | Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF. Chemical science, 2025, 16, 12416-12420 |
| 1574782 | CIF | Ba O4 W | I 41/a :2 | 5.61821; 5.61821; 12.7282 90; 90; 90 | 401.757 | Amitkumar R. Patil, Tukaram D. Dongale, Lahu D.Namade, Keshav Y. Rajpure Resistive switching in spray-pyrolyzed BaWO4 thin films Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2025, 723, 137352 |
| 1574783 | CIF | C9 H12 N2 O2 S | P -1 | 7.2268; 7.9865; 9.2053 103.537; 92.512; 108.209 | 486.72 | Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide Chemical Science, 2025, 16, 12012-12023 |
| 1574784 | CIF | C16 H16 N2 O4 S | P b c a | 7.626; 10.8033; 36.368 90; 90; 90 | 2996.21 | Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide Chemical Science, 2025, 16, 12012-12023 |
| 1574785 | CIF | C13 H11 Cl N2 O2 S | P 1 21/c 1 | 8.5033; 23.1754; 20.2967 90; 92.005; 90 | 3997.4 | Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide Chemical Science, 2025, 16, 12012-12023 |
| 1574786 | CIF | C10 H12 N2 O2 S | P 1 21/c 1 | 8.4203; 17.4676; 7.2129 90; 110.069; 90 | 996.47 | Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide Chemical Science, 2025, 16, 12012-12023 |
| 1574787 | CIF | C11 H10 N2 O2 S2 | P 1 21/c 1 | 11.5242; 9.8469; 10.7702 90; 98.211; 90 | 1209.65 | Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide Chemical Science, 2025, 16, 12012-12023 |
| 1574788 | CIF | C15 H16 N2 O3 S | P 1 21 1 | 7.816; 5.549; 16.7197 90; 97.198; 90 | 719.43 | Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide Chemical Science, 2025, 16, 12012-12023 |
| 1574789 | CIF | C14 H14 N2 O3 S | P b c a | 14.3193; 7.0764; 27.0199 90; 90; 90 | 2737.9 | Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide Chemical Science, 2025, 16, 12012-12023 |
| 1574790 | CIF | C14 H14 N2 O2 S | P 1 21/c 1 | 8.5461; 23.147; 20.3641 90; 92.362; 90 | 4024.93 | Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide Chemical Science, 2025, 16, 12012-12023 |
| 1574791 | CIF | C28 H27 N O2 Si | P 21 21 21 | 7.4981; 16.7375; 18.9431 90; 90; 90 | 2377.3 | Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A. Chemical science, 2025, 16, 12879-12884 |
| 1574792 | CIF | C23 H25 N O2 Si | P 21 21 21 | 10.7177; 11.995; 15.986 90; 90; 90 | 2055.1 | Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A. Chemical science, 2025, 16, 12879-12884 |
| 1574793 | CIF | C2.77 H2.15 Cl0.15 F0.23 N0.08 O0.31 | C 1 c 1 | 23.2091; 10.1744; 14.2246 90; 113.837; 90 | 3072.45 | Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights. Chemical science, 2025, 16, 12350-12361 |
| 1574794 | CIF | C34 H26 Cl N O5 | P 1 21/n 1 | 12.0072; 11.2445; 20.5394 90; 91.189; 90 | 2772.5 | Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights. Chemical science, 2025, 16, 12350-12361 |
| 1574795 | CIF | C54 H40 F6 N2 O6 | P -1 | 11.3001; 13.4126; 16.3714 76.397; 75.85; 67.123 | 2189.3 | Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights. Chemical science, 2025, 16, 12350-12361 |
| 1574796 | CIF | C24 H16 F4 O4 | P -1 | 8.5086; 10.3951; 11.77 94.161; 106.191; 91.831 | 995.62 | Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights. Chemical science, 2025, 16, 12350-12361 |
| 1574797 | CIF | C37.12 H28.61 N1.12 O3.38 | R -3 :H | 35.3662; 35.3662; 9.9973 90; 90; 120 | 10829 | Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights. Chemical science, 2025, 16, 12350-12361 |
| 1574798 | CIF | C14 H18 O | P 1 21 1 | 13.8273; 7.352; 11.6565 90; 90.016; 90 | 1184.98 | Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M. Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A Chemical Science, 2025, 16, 11381-11385 |
| 1574799 | CIF | C15 H18 O2 | P 21 21 2 | 17.747; 19.054; 7.349 90; 90; 90 | 2485.1 | Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M. Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A Chemical Science, 2025, 16, 11381-11385 |
| 1574800 | CIF | C15 H18 O2 | P 21 21 21 | 9.7645; 10.4864; 12.1839 90; 90; 90 | 1247.56 | Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M. Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A Chemical Science, 2025, 16, 11381-11385 |
| 1574801 | CIF | B Ba S4 Sb | P n m a | 9.6601; 6.2154; 11.633 90; 90; 90 | 698.46 | Zhang, Ming-Zhi; Zhao, Yue; Hu, Chun-Li; Mao, Jiang-Gao BaSbBS<sub>4</sub>: a record-high-performance birefringent crystal identified by a target-driven closed-loop strategy. Chemical science, 2025, 16, 12577-12586 |
| 1574802 | CIF | C29 H40 O4 | P -1 | 10.6394; 10.7112; 23.9695 90.188; 102.38; 104.147 | 2582.7 | Sun, Ruikang; Zhang, Pei; Yan, Yong; Zhu, Jie; Chen, Qirui; Yang, Chi; Lin, Aijun; Li, Xuanyi; Gao, Shang; Yao, Hequan Single-carbon-atom transfer to <i>para</i>-quinone methides from TMSCF<sub>2</sub>Br. Chemical science, 2025, 16, 12324-12331 |
| 1574803 | CIF | C26 H27 N O2 Si | P 1 21 1 | 12.9119; 7.906; 22.6326 90; 105.139; 90 | 2230.2 | Wu, Yichen; Qian, Hao-Yang; Zhang, Heng; Zou, Jian-Ye; Wu, Qing-Yan; Nie, Xiao-Xue; Zheng, Long; Peng, Qian; Wang, Peng Rh-catalyzed enantioselective hydrosilylation of unactivated alkenes. Chemical science, 2025, 16, 12594-12602 |
| 1574804 | CIF | C38 H46 B2 N2 O2 | C 1 2/c 1 | 14.2417; 14.4218; 16.509 90; 103.326; 90 | 3299.5 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574805 | CIF | C60 H72 B2 N2 | P b c a | 10.5812; 19.2594; 29.9453 90; 90; 90 | 6102.5 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574806 | CIF | C94 H136 B2 K2 N8 O14 | P 1 21/n 1 | 13.2016; 13.5917; 27.9529 90; 91.891; 90 | 5012.9 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574807 | CIF | C80 H86 B2 F8 N4 Sb | P -1 | 12.3898; 17.0733; 19.6357 109.541; 106.403; 93.078 | 3704.3 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574808 | CIF | C60 H72 B2 F6 N2 Sb | P 1 2/n 1 | 16.4468; 9.5691; 19.4316 90; 109.712; 90 | 2879 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574809 | CIF | C104 H160 B2 K2 N6 O14 | P 1 21/c 1 | 14.9184; 17.1615; 20.7225 90; 106.128; 90 | 5096.6 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574810 | CIF | C90 H114 B2 N4 O4 | P -1 | 11.1662; 11.7494; 15.5317 71.647; 84.332; 88.761 | 1924.5 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574811 | CIF | C76 H86 B2 Cl4 F12 N4 Sb2 | P 1 21/n 1 | 12.4457; 27.8277; 13.024 90; 95.719; 90 | 4488.2 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574812 | CIF | C72 H80 B2 F16 N2 Sb2 | P 1 21/n 1 | 11.1837; 32.5; 21.1355 90; 92.894; 90 | 7672.3 | Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers. Chemical science, 2025, 16, 12510-12518 |
| 1574813 | CIF | C25 H20 N2 O | P -1 | 10.0247; 10.519; 11.3139 111.372; 115.622; 95.402 | 955.68 | Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals. Chemical science, 2025, 16, 13345-13351 |
| 1574814 | CIF | C27 H24 N2 O | P 1 21/c 1 | 11.9874; 17.6677; 10.452 90; 105.409; 90 | 2134.06 | Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals. Chemical science, 2025, 16, 13345-13351 |
| 1574815 | CIF | C27 H24 N2 O3 | P -1 | 11.4592; 11.52; 19.198 85.698; 85.659; 63.308 | 2255.4 | Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals. Chemical science, 2025, 16, 13345-13351 |
| 1574816 | CIF | C25 H20 N2 O | P -1 | 9.418; 10.444; 10.672 68.47; 74.62; 73.96 | 923 | Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals. Chemical science, 2025, 16, 13345-13351 |
| 1574817 | CIF | C25 H20 N2 O | P -1 | 11.358; 12.5546; 14.4385 104.294; 104.552; 97.394 | 1890.77 | Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals. Chemical science, 2025, 16, 13345-13351 |
| 1574818 | CIF | C27 H22 N2 O2 | P 1 21/n 1 | 15.068; 6.3158; 22.0503 90; 100.439; 90 | 2063.7 | Jiang, Qin; Dong, Jianyang; Lei, Fang; Yu, Dejiang; Li, Ting; Sun, Huaming; Xue, Dong Strain-release driven spirocyclization of bicyclo[1.1.0]butanes: access to 6,7-diazaspiro[3.4]octanes Chemical Science, 2025, 16, 12189-12195 |
| 1574819 | CIF Paper | C10 H12 N2 O4 | P b c a | 14.2323; 7.6198; 19.8463 90; 90; 90 | 2152.28 | Uppu, Rao M.; Fronczek, Frank R. N-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide IUCrData, 2025, 10, x250470 |
| 1574820 | CIF | I8 K8 | P 1 | 11.81505482; 12.23692562; 7.10002691 90.0019; 90; 90 | 1026.52 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574821 | CIF | I4 Na4 | P 1 | 7.08010283; 7.09791712; 7.290053 90.014; 90.0073; 89.9994 | 366.354 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574822 | CIF | Br2 Cl8 K2 | P 1 | 5.52777127; 8.40563451; 9.50743605 89.9266; 92.1043; 90.0854 | 441.459 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574823 | CIF | Cl3 I6 K9 | P 1 | 8.17554987; 8.17545312; 12.92405996 89.9997; 90.0004; 119.998 | 748.115 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574824 | CIF | Br8 Cl8 Li16 | P 1 | 7.5745859; 7.47783339; 10.64749269 90; 90; 89.9999 | 603.09 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574825 | CIF | Br4 I4 Li8 | P 1 | 6.89761845; 6.89761779; 9.07397362 89.9998; 89.9997; 89.9993 | 431.714 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574826 | CIF | Cl10 Li2 Na4 | P 1 | 7.44595166; 6.64557407; 8.11584563 90.219; 90.6102; 89.7363 | 401.563 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574827 | CIF | Br3 K3 | P 1 | 4.57088421; 4.57088314; 12.56050046 90; 90; 120 | 227.268 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574828 | CIF | Br2 I4 Na6 | P 1 | 4.41377149; 11.42127601; 8.84758514 90.0609; 90; 89.9976 | 446.014 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
| 1574829 | CIF | Br8 Na12 O2 | P 1 | 11.0085188; 11.00851965; 4.54767139 90.0001; 89.9999; 90 | 551.121 | Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha The search for superionic solid-state electrolytes using a physics-informed generative model. Materials horizons, 2025, 12, 6945-6955 |
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