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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1574830	CIF	Cl I3 K4	P 1	7.04072003; 7.04072003; 7.04072017 90; 90; 90	349.021	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
1574831	CIF	I12 Li9 Na3	P 1	9.56782617; 9.56667027; 10.86714246 90.0184; 89.9857; 120.033	861.14	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
1574832	CIF	Cl4 Li4	P 1	3.60563605; 6.18271013; 6.06886486 90; 90.5097; 90	135.285	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
1574833	CIF	Br4 Na12 O8	P 1	8.62374043; 6.86641651; 7.53508646 89.6433; 90.1447; 90.0822	446.174	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
1574834	CIF	Cl8 Li8	P 1	6.96677839; 6.1954674; 7.80744572 89.9993; 90.0064; 90.0002	336.988	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
1574835	CIF	Br2 I2 Na4	P 1	7.27854968; 4.4636847; 7.52581834 90; 89.9997; 90	244.507	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
1574836	CIF	I4 K4	P 1	10.63927541; 5.88914438; 7.11982419 90; 90; 90	446.101	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
1574837	CIF	Br2 I2 Na4	P 1	4.46487017; 7.6102386; 8.82779691 55.489; 90; 90	247.17	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
1574838	CIF	N4 Na4 O8	P 1	4.53892396; 4.53928693; 10.61694621 89.9943; 90.0079; 89.9951	218.746	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
1574839	CIF	Br8 Cl4 Li12	P 1	6.36230533; 6.6968109; 11.13929413 90; 90; 90	474.614	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
1574840	CIF	Be4 Br12 Li4	P 1	7.36349178; 11.45486469; 6.34158533 89.9953; 89.9228; 90.003	534.898	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
1574841	CIF	I2 Na2 O6	P 1	4.69207514; 5.91256374; 7.44017721 90.295; 90.0371; 106.456	197.949	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
1574842	CIF	Br4 K4	P 1	7.97653216; 4.63198529; 8.22376751 90; 90; 90	303.845	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
1574843	CIF	Cl4 I4 Li8	P 1	7.00922312; 8.16071716; 7.52055807 90.0001; 90; 90	430.178	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
1574844	CIF	I6 K6 S20	P 1	10.5550204; 10.54925829; 10.53309387 96.8075; 96.848; 83.1393	1149.64	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
1574845	CIF	C4 Br8 Li12	P 1	7.37088716; 11.27904563; 5.91404848 77.2952; 90.0055; 89.9985	479.636	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
1574846	CIF	Cl6 I4 K2	P 1	5.69131825; 7.80534201; 13.60531471 89.8297; 89.9798; 89.9915	604.382	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
1574847	CIF	Br8 Li8	P 1	10.03026185; 10.03027612; 4.23379761 90; 90.0001; 90	425.947	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
1574848	CIF	Br8 Na8	P 1	8.36834834; 7.27874099; 7.22267546 90.0003; 89.9992; 90	439.941	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
1574849	CIF	I6 Na6	P 1	8.9313506; 8.93269682; 7.9621576 90; 90; 120.02	550.016	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
1574850	CIF	I18 Li18	P 1	12.4581865; 12.45766276; 8.72897931 89.9694; 90.0323; 119.998	1173.26	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
1574851	CIF	Br16 Li16	P 1	9.23216381; 11.11977739; 8.92893382 90; 90; 89.9935	916.641	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
1574852	CIF	I8 Li8	P 1	8.59968677; 9.33258631; 7.37288568 90; 90; 90	591.728	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
1574853	CIF	Br18 Li18	P 1	11.54482368; 11.54484693; 7.91932462 90.0074; 89.9921; 120.003	914.072	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
1574854	CIF	Br18 Na18	P 1	12.42857248; 12.42857263; 7.90695563 90.0004; 89.9996; 120.005	1057.7	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
1574855	CIF	C64 H48 N2 O2	P 1 21/c 1	23.448; 14.472; 14.747 90; 93.73; 90	4994	Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library. Chemical science, 2025, 16, 12293-12302
1574856	CIF	C62 H42 N4 O4	P 1 21/c 1	23.7964; 14.8763; 14.0068 90; 93.979; 90	4946.5	Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library. Chemical science, 2025, 16, 12293-12302
1574857	CIF	C23.16 H27.33 Br Cl N O1.08	P 1 21/c 1	7.2281; 17.0092; 16.9709 90; 96.963; 90	2071.09	Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes. Chemical science, 2025, 16, 14081-14087
1574858	CIF	C11 H8 Br N	F d d 2	17.1318; 8.8789; 12.0049 90; 90; 90	1826.08	Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes. Chemical science, 2025, 16, 14081-14087
1574859	CIF	C17 H13.47 Br Cl N3 O5.24	C 1 c 1	14.3576; 42.1432; 9.9596 90; 114.105; 90	5500.8	Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes. Chemical science, 2025, 16, 14081-14087
1574860	CIF	C51 H60 Eu2 N8 O25	C 1 2/c 1	23.988; 12.672; 19.276 90; 101.714; 90	5737	Zhao, Lu; Xu, Zhenjie; Song, Xianzhen; Ding, Caifeng; Ju, Huangxian Self-supplying coreactant radical and structural distortion induced by carbonate ligand in metal-organic framework for anomalous deep-red Self-electrochemiluminescence. Chemical science, 2025, 16, 12493-12498
1574861	CIF	C116.654 H97.264 Ga8 N16.218 Nd2 O61.087	C 1 2/m 1	25.4801; 23.6113; 20.8659 90; 127.581; 90	9948.4	Lathion, Timothée; Bourseguin, Julie; Eliseeva, Svetlana V.; Zeller, Matthias; Petoud, Stéphane; Pecoraro, Vincent L. Novel lanthanide(iii)/gallium(iii) metallacrowns with appended visible-absorbing organic sensitizers for molecular near-infrared imaging of living cells. Chemical science, 2025, 16, 12623-12634
1574862	CIF	C46 H56 O17	P 1 21 1	11.0048; 9.98913; 20.5935 90; 99.8007; 90	2230.77	Zhang, Jing-Dong; Jie, Jia-Long; Yan, Shu-Yi; Zhang, Hui; Chen, Jia-Meng; Wu, Jiang-Cheng; Qin, Lu-Yang; Liu, Guang-Jian; Su, Hong-Mei; Xing, Guo-Wen Single electron/energy transfer photocatalysis: α-/β-switchable synthesis of 3-deoxy-d-manno-oct-2-ulosonic acid <i>O</i>-glycosides. Chemical science, 2025, 16, 13070-13081
1574863	CIF	C30 H44 O17	P 21 21 21	10.19414; 11.29721; 28.984 90; 90; 90	3337.95	Zhang, Jing-Dong; Jie, Jia-Long; Yan, Shu-Yi; Zhang, Hui; Chen, Jia-Meng; Wu, Jiang-Cheng; Qin, Lu-Yang; Liu, Guang-Jian; Su, Hong-Mei; Xing, Guo-Wen Single electron/energy transfer photocatalysis: α-/β-switchable synthesis of 3-deoxy-d-manno-oct-2-ulosonic acid <i>O</i>-glycosides. Chemical science, 2025, 16, 13070-13081
1574864	CIF	C24 H35 F N2 O2 Si	P 61 2 2	11.3851; 11.3851; 64.721 90; 90; 120	7265.2	Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K. Multifunctional chiral silanol ligands for enantioselective catalysis. Chemical science, 2025, 16, 13678-13683
1574865	CIF	C18 H21 F N2 O	P 21 21 21	5.2703; 13.9801; 21.4626 90; 90; 90	1581.35	Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K. Multifunctional chiral silanol ligands for enantioselective catalysis. Chemical science, 2025, 16, 13678-13683
1574866	CIF	C18 H19 F N2	P 21 21 21	11.6012; 14.6138; 17.9894 90; 90; 90	3049.88	Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K. Multifunctional chiral silanol ligands for enantioselective catalysis. Chemical science, 2025, 16, 13678-13683
1574867	CIF	C25 H37 F N2 O2 Si	P 1 21 1	10.4984; 23.5281; 11.1188 90; 109.222; 90	2593.3	Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K. Multifunctional chiral silanol ligands for enantioselective catalysis. Chemical science, 2025, 16, 13678-13683
1574868	CIF	C24 H24 F N O2 Si	P 1	10.6067; 10.8407; 10.999 61.01; 70.064; 89.897	1019.2	Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K. Multifunctional chiral silanol ligands for enantioselective catalysis. Chemical science, 2025, 16, 13678-13683
1574869	CIF	C80 H84 B F26 N4 Na O5 Si2	P 1	12.8653; 12.9386; 14.2525 76.0784; 80.3071; 65.8644	2094.9	Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K. Multifunctional chiral silanol ligands for enantioselective catalysis. Chemical science, 2025, 16, 13678-13683
1574870	CIF	C14 H25 B N2 O2	P 1 21/n 1	9.70607; 14.11052; 11.3915 90; 93.1395; 90	1557.81	Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent. Chemical science, 2025, 16, 13449-13458
1574871	CIF	C46 H43.75 B F6 N2 Ni P2	P 1 21/c 1	12.01864; 11.91416; 28.869 90; 92.2828; 90	4130.53	Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent. Chemical science, 2025, 16, 13449-13458
1574872	CIF	C20 H29 B N2 O3	P 1 21/c 1	10.3051; 13.6933; 13.8874 90; 103.092; 90	1908.73	Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent. Chemical science, 2025, 16, 13449-13458
1574873	CIF	C58 H52 Br4 Mn2 N8 O10	P 1 2 1	14.471; 8.507; 23.459 90; 90.215; 90	2887.9	Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker <i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives. Chemical science, 2025, 16, 13826-13837
1574874	CIF	C13 H21 N O3 S	P 21 21 21	6.191; 12.6923; 18.1436 90; 90; 90	1425.69	Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker <i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives. Chemical science, 2025, 16, 13826-13837
1574875	CIF	C14 H14 O	P 1	5.5996; 8.103; 23.254 91.263; 91.912; 91.077	1054.1	Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker <i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives. Chemical science, 2025, 16, 13826-13837
1574876	CIF	C24 H24 O9	P -1	9.885; 10.504; 10.763 78.835; 87.376; 88.318	1095	Davidson, Daniel J.; Sansom, Geraud N.; Miles-Barrett, Daniel M; Cordes, David B.; Slawin, Alexandra M. Z.; Montgomery, James R. D.; Lebl, Tomas; Connor, Ann; Danby, Andrew M.; Gronnow, Mark J.; Parry, Neil J.; Hosking, Sarah L.; Grainger, David S.; Westwood, Nicholas J. Organosolv processing of Sitka spruce sawdust: large scale preparation of native-like lignin and lignin<sup>OX</sup> for valorisation. Faraday discussions, 2026, 263, 98-122
1574877	CIF	C84 H92 N2 O20 S4	P -1	15.8904; 18.3627; 20.0324 99.057; 96.562; 93.372	5717	Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials. Chemical science, 2025, 16, 13057-13069
1574878	CIF	C47 H52 F3 N O9 S Se2	P 1 21/n 1	9.12078; 18.7864; 25.9913 90; 92.9385; 90	4447.67	Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials. Chemical science, 2025, 16, 13057-13069
1574879	CIF	C47 H52 F3 N O9 S3	P 1 21/n 1	9.106; 18.7587; 25.8895 90; 93.085; 90	4415.95	Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials. Chemical science, 2025, 16, 13057-13069
1574880	CIF	C104 H92 N4 O40 P4 Si W12	P 1	13.90582; 15.07813; 15.90307 112.371; 104.294; 100.202	2848.02	Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution. Chemical science, 2025, 16, 13183-13188
1574881	CIF	C100 H86 N2 O28 P4 Se12 Si W12	P 1	13.76778; 14.64503; 17.18784 68.0094; 68.5531; 89.6202	2956.65	Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution. Chemical science, 2025, 16, 13183-13188
1574882	CIF	C19 H20 N4 O12 U	P -1	10.8763; 10.8816; 11.2207 106.765; 113.872; 92.592	1142.7	Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B. Stimuli-responsive photoswitch-actinide binding: a match made in MOFs. Chemical science, 2025, 16, 14115-14126
1574883	CIF	C20 H19 Cl N2 O5	P b c a	6.8431; 21.1213; 26.1977 90; 90; 90	3786.5	Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B. Stimuli-responsive photoswitch-actinide binding: a match made in MOFs. Chemical science, 2025, 16, 14115-14126
1574884	CIF	C17 H16 N2 O	P n a 21	9.6531; 14.4417; 9.9636 90; 90; 90	1389	Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons. Chemical science, 2025, 16, 13298-13305
1574885	CIF	C18 H18 N2 O2	P 21 21 21	4.9546; 15.547; 19.2131 90; 90; 90	1479.97	Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons. Chemical science, 2025, 16, 13298-13305
1574886	CIF	C17 H15 Br N2 O	P 21 21 21	5.1594; 15.095; 18.2386 90; 90; 90	1420.44	Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons. Chemical science, 2025, 16, 13298-13305
1574887	CIF	C21 H13 N3 O2	P 1 21/c 1	3.8447; 12.8869; 30.8271 90; 92.189; 90	1526.25	Lal, Anu; Sureshan, Kana M. Isomer-dependent reactivity in the solid state: topochemical [4 + 4] <i>vs.</i> [4 + 2] cycloaddition reactions. Chemical science, 2025, 16, 13496-13502
1574888	CIF	C21 H13 N3 O2	P -1	8.2554; 9.4866; 10.2722 81.063; 86.002; 73.425	761.4	Lal, Anu; Sureshan, Kana M. Isomer-dependent reactivity in the solid state: topochemical [4 + 4] <i>vs.</i> [4 + 2] cycloaddition reactions. Chemical science, 2025, 16, 13496-13502
1574889	CIF	C136 H120 Cl12 F12 K2 O16 P2	P c a 21	22.914; 23.096; 25.886 90; 90; 90	13699	Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential. Chemical science, 2025, 16, 13115-13121
1574890	CIF	C80 H73.5 O8	P 1 21/c 1	21.9739; 21.8794; 27.0805 90; 106.434; 90	12487.7	Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential. Chemical science, 2025, 16, 13115-13121
1574891	CIF	C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2	P -1	10.0108; 10.7763; 12.8755 65.86; 70.072; 86.083	1187.54	Wu, Zixiang; Anderson, Christopher L.; Zhang, Teng-Shuo; Liu, Yi; Fu, Hongbing; Wang, Long Side-chain ionization enables ultrafast intramolecular singlet fission in the azaquinodimethane skeleton. Chemical science, 2025, 16, 13374-13381
1574892	CIF	C59.44 H42 F7.68 N2 O4.32 P2.56 S5.44	C 1 2/c 1	21.251; 13.6392; 19.481 90; 101.806; 90	5527.1	Wu, Zixiang; Anderson, Christopher L.; Zhang, Teng-Shuo; Liu, Yi; Fu, Hongbing; Wang, Long Side-chain ionization enables ultrafast intramolecular singlet fission in the azaquinodimethane skeleton. Chemical science, 2025, 16, 13374-13381
1574893	CIF	C4 H4 Br Cl3 F39 O12 S3 Sb Te6	P -1	9.8994; 10.0636; 22.7766 93.244; 100.968; 95.729	2209.9	Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian On the synthesis and structure of reactive halonium ions. Chemical science, 2025, 16, 13229-13234
1574894	CIF	C4 H9 F30 O6 Sb Te6	R 3 :H	13.8891; 13.8891; 13.2594 90; 90; 120	2215.1	Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian On the synthesis and structure of reactive halonium ions. Chemical science, 2025, 16, 13229-13234
1574895	CIF	C4 H6 F34 I O6 Sb Te6	P -1	9.9568; 10.0522; 10.7376 92.26; 114.527; 119.573	808.81	Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian On the synthesis and structure of reactive halonium ions. Chemical science, 2025, 16, 13229-13234
1574896	CIF	C4 H4 Cl4 F39 O12 S3 Sb Te6	P -1	9.8884; 10.0411; 22.687 93.5; 100.671; 95.798	2195	Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian On the synthesis and structure of reactive halonium ions. Chemical science, 2025, 16, 13229-13234
1574897	CIF	C24 H23 F2 O2 P	P b c a	12.2416; 14.7054; 22.9539 90; 90; 90	4132.11	Kurosawa, Miki B.; Shimoyama, Shuhei; Tanaka, Hiroki; Yamaguchi, Junichiro Difluoroenol phosphinates as difluoroenolate surrogates: synthesis and applications in defluorination and deoxygenative coupling. Chemical science, 2025, 16, 13390-13400
1574898	CIF	C35 H30 Ag2 Cl2 N4 O6 P2	P 1 21/n 1	12.1027; 23.1001; 13.4641 90; 100.031; 90	3706.67	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574899	CIF	C70 H60 Ag4 Cl4 N8 O12 P4	P 1 21/n 1	12.1045; 23.0824; 13.4651 90; 99.943; 90	3705.65	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574900	CIF	C35 H30 Ag2 Cl2 N4 O6 P2	P -1	11.8363; 12.1943; 13.6499 85.2; 72.917; 78.512	1844.85	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574901	CIF	C70 H60 Ag4 Cl4 N8 O12 P4	P 1 21/n 1	12.0949; 23.1016; 13.4621 90; 99.92; 90	3705.23	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574902	CIF	C68 H56 Ag N4 P4	P -3	13.9512; 13.9512; 51.4858 90; 90; 120	8678.4	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574903	CIF	C53 H46 Ag2 Cl4 N5 O6 P3	P -1	12.0844; 12.6564; 19.7598 96.807; 92.743; 116.31	2672.83	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574904	CIF	C60 H48 Ag N12 P4	P -3	13.9512; 13.9512; 51.4858 90; 90; 120	8678.4	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574905	CIF	C68 H56 Ag4 Cl4 N4 P4	C 1 2/c 1	23.4191; 23.3178; 23.2829 90; 91.001; 90	12712.4	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574906	CIF	C35 H30 Ag2 Cl2 N4 O6 P2	P 1 21/n 1	12.1131; 23.0872; 13.4732 90; 99.908; 90	3711.69	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574907	CIF	C70 H62 Ag Cl2 N5 O4 P4	P -1	11.9246; 13.9944; 19.0615 89.788; 89.154; 82.33	3152.1	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574908	CIF	C70.79 H63.59 Ag Cl1.59 N5 O4 P4	P -1	11.9103; 13.7805; 19.6808 91.203; 91.613; 96.934	3204.34	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574909	CIF	C70 H58 Ag Cl2 N4 O3 P4	P -1	11.9418; 13.8033; 19.6503 90.997; 91.482; 96.769	3214.7	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574910	CIF	C51.5 H43 Ag Cl2 N3 P3	P -1	12.9844; 13.1743; 14.0881 89.488; 68.446; 86.972	2238.12	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574911	CIF	C104 H88 Ag2 Cl5 N6 P6	P -1	12.743; 12.7623; 16.6375 79.654; 74.705; 64.242	2344.01	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574912	CIF	C51.5 H43 Ag Cl2 N3 P3	P -1	13.0055; 13.185; 14.0637 89.567; 68.565; 87.069	2241.71	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574913	CIF	C53 H46 Ag2 Cl4 N5 O6 P3	P -1	12.0794; 12.6498; 19.7666 96.679; 92.826; 116.357	2670.68	Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun Studying how small silver clusters grow and their optical properties. Nanoscale, 2025, 17, 19821-19827
1574914	CIF	C35 H16 F8 N2	P -1	9.6606; 15.0395; 18.49 84.896; 89.124; 87.16	2672.3	Hu, Wenbo; Li, Heng; Yuan, Bingxin Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis. Chemical science, 2025, 16, 13794-13806
1574915	CIF	C17 H4 F8 N2	P -1	8.7918; 9.1879; 10.5298 72.342; 70.631; 67.564	726.3	Hu, Wenbo; Li, Heng; Yuan, Bingxin Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis. Chemical science, 2025, 16, 13794-13806
1574916	CIF	C27 H10 F8 N2	P -1	9.9143; 10.2042; 11.3792 80.453; 70.664; 87.322	1071.2	Hu, Wenbo; Li, Heng; Yuan, Bingxin Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis. Chemical science, 2025, 16, 13794-13806
1574917	CIF	C18 F13 N	C 1 2/c 1	15.6247; 13.0336; 8.6155 90; 115.441; 90	1584.4	Hu, Wenbo; Li, Heng; Yuan, Bingxin Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis. Chemical science, 2025, 16, 13794-13806
1574918	CIF	C29 H13 F8 N O	P b c a	18.4815; 11.2751; 21.751 90; 90; 90	4532.5	Hu, Wenbo; Li, Heng; Yuan, Bingxin Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis. Chemical science, 2025, 16, 13794-13806
1574919	CIF	C26 H24 Cl5 In N2	P -1	8.5802; 9.2837; 18.2358 97.408; 98.221; 105.005	1367.56	Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide. Chemical science, 2025, 16, 13731-13740
1574920	CIF	C26 H26 Cl5 In N2 O	P -1	10.8192; 11.7903; 11.9138 99.72; 92.935; 98.493	1476.98	Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide. Chemical science, 2025, 16, 13731-13740
1574921	CIF	C52 H50 Cl10 In2 N4 O	P -1	10.8121; 15.0764; 18.006 90.349; 91.409; 95.489	2920.67	Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide. Chemical science, 2025, 16, 13731-13740
1574922	CIF	C22 H27 N O3	P 21 21 21	8.9084; 9.6525; 22.6244 90; 90; 90	1945.4	Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis Efficient and controlled ring-opening copolymerization of cyclohexene oxide with cyclic anhydrides catalyzed by proline-based chiral alkyl Al(III) compounds. Faraday discussions, 2026, 262, 191-211
1574923	CIF	C31 H38 Al F2 N O3	P 1 21 1	13.2631; 7.2788; 15.3502 90; 100.335; 90	1457.86	Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis Efficient and controlled ring-opening copolymerization of cyclohexene oxide with cyclic anhydrides catalyzed by proline-based chiral alkyl Al(III) compounds. Faraday discussions, 2026, 262, 191-211
1574924	CIF	C31 H40 Al N O3	P 21 21 21	9.4226; 14.8275; 20.4148 90; 90; 90	2852.23	Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis Efficient and controlled ring-opening copolymerization of cyclohexene oxide with cyclic anhydrides catalyzed by proline-based chiral alkyl Al(III) compounds. Faraday discussions, 2026, 262, 191-211
1574925	CIF	C52 H72 Al2 N2 O7	P 32 2 1	9.466; 9.466; 49.901 90; 90; 120	3872.3	Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis Efficient and controlled ring-opening copolymerization of cyclohexene oxide with cyclic anhydrides catalyzed by proline-based chiral alkyl Al(III) compounds. Faraday discussions, 2026, 262, 191-211
1574926	CIF	C19 H40 Cl N O2	C 1 2 1	8.7109; 7.5919; 33.2317 90; 91.246; 90	2197.2	Choudhury, Suman Kumar; Chinapaka, Ravindar; Manasa, Konga; Swamy, Musti J. Synthesis and characterization of long chain <i>O</i>-acyl-L-alaninols and investigation of drug encapsulation and release by equimolar <i>O</i>-myristoyl-L-alaninol/SDS catanionic liposomes. Soft matter, 2025, 21, 5728-5742
1574927	CIF	C40 H84 Cl2 N2 O4	C 1 2 1	9.0685; 7.4023; 34.118 90; 95.383; 90	2280.2	Choudhury, Suman Kumar; Chinapaka, Ravindar; Manasa, Konga; Swamy, Musti J. Synthesis and characterization of long chain <i>O</i>-acyl-L-alaninols and investigation of drug encapsulation and release by equimolar <i>O</i>-myristoyl-L-alaninol/SDS catanionic liposomes. Soft matter, 2025, 21, 5728-5742
1574928	CIF Paper	C36.5 H47 N3 O4 P2 Pd	P -1	9.5548; 10.702; 18.4654 74.0508; 86.9998; 76.0888	1762.06	Müller, Stefan; Spannenberg, Anke; Neumann, Helfried; Franke, Robert; Beller, Matthias {α,α′-Bis[(tert-butyl)(6-methoxypyridin-2-yl)phosphino]-o-xylene}(η2-N-methylmaleinimide)palladium(0) toluene hemisolvate IUCrData, 2025, 10, x250508
1574929	CIF Paper	C23 H16.36 Br0.64 F3 N2	P -1	8.84082; 9.48683; 11.6797 95.3496; 91.0661; 103.592	947.18	Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hamidov, Sahil Z.; Lasri, Jamal; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N. 1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362) IUCrData, 2025, 10, x250466
1574930	CIF Paper	C14 H9 F N2 O	P 1 21/n 1	8.97833; 10.13609; 12.85096 90; 110.357; 90	1096.46	Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hamidov, Sahil Z.; Lasri, Jamal; Hasanov, Khudayar I.; Guliyeva, Narmina A.; Belay, Alebel N. 3-(4-Fluorophenyl)imidazo[1,2-a]pyridine-2-carbaldehyde IUCrData, 2025, 10, x250553
1574931	CIF Paper	C53 H62 O6.5 P3 Ru	P -1	9.1504; 11.6521; 24.868 95.453; 98.296; 90.372	2611.3	Stein, Carolin A. M.; Alberico, Elisabetta; Spannenberg, Anke; Beller, Matthias; Junge, Henrik (η4-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate IUCrData, 2025, 10, x250524
1574932	CIF Paper	C40 H24 Fe N12	R -3 :H	17.0276; 17.0276; 21.6388 90; 90; 120	5433.39	Messalti, Said Abdelghafour; Setifi, Fatima; Böhme, Uwe; Setifi, Zouaoui; Al-Douh, Mohammad Hadi Tris(2,2′-bipyridine)iron(II) tris(dicyanomethylidene)methanediide IUCrData, 2025, 10, x250503
1574933	CIF Paper	C17 H25 N O9 S2	P 21 21 21	7.28265; 8.6472; 34.8789 90; 90; 90	2196.48	Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G. 2,3,4,6-Tetra-O-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-D-galactopyranose IUCrData, 2025, 10, x250544
1574934	CIF Paper	C13 H17 N O4	P 1 21/c 1	10.944; 11.234; 11.377 90; 112.481; 90	1292.4	Ponmagaram, Murugesan; Saranraj, Krishnan; Raja, Karuppiah Muruga Poopathi Methyl 3-[(tert-butoxycarbonyl)amino]benzoate IUCrData, 2025, 10, x250542
1574935	CIF Paper	C21 H38 I2 N4 O3 Pd	P 21 21 21	11.519; 12.4798; 19.5537 90; 90; 90	2810.94	Liao, Ping; Wang, Yanping; Zhong, Li; Yuan, Jinwei; Yang, Liangru (S,S)-Diiodido{3,3′-methylenebis[1-(1-hydroxy-4-methylpentan-2-yl)imidazol-2-ylene]}palladium(II) ethanol monosolvate IUCrData, 2025, 10, x250423
1574936	CIF Paper	C28 H28 F12 N8 O2 P2	P -1	7.7661; 8.1535; 13.3262 93.392; 102.488; 95.435	817.4	Sueyoshi, Fumika; Sakai, Ken 4,4′-{[(2,2′-Bipyridine)-5,5′-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate IUCrData, 2025, 10, x250517
1574937	CIF	C38 H33 Mn2 N10 O5 Re	P n a 21	17.9573; 14.299; 14.6854 90; 90; 90	3770.79	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574938	CIF	C38 H28 Mn2 N10 O4 Re	P 4/n c c :2	14.4061; 14.4061; 18.3403 90; 90; 90	3806.3	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574939	CIF	C38 H28 Mn2 N10 O4 Re	P 4/n c c :2	14.4843; 14.4843; 18.3887 90; 90; 90	3857.9	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574940	CIF	C38 H28 Mn2 N10 O4 Re	P 4/n :2	14.3742; 14.3742; 18.1157 90; 90; 90	3743.02	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574941	CIF	C38 H28 Mn2 N10 O4 Re	P 4/n c c :2	14.4601; 14.4601; 18.3914 90; 90; 90	3845.5	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574942	CIF	C38 H28 Mn2 N10 O4 Re	P 4/n c c :2	14.4217; 14.4217; 18.3812 90; 90; 90	3823	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574943	CIF	C38 H26 Mn2 N10 O4 Re	P 4/n :2	14.3719; 14.3719; 18.0827 90; 90; 90	3735.01	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574944	CIF	C38 H28 Mn2 N10 O4 Re	P 4/n c c :2	14.428; 14.428; 18.3832 90; 90; 90	3826.8	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574945	CIF	C38 H28 Mn2 N10 O4 Re	P 4/n :2	14.3963; 14.3963; 18.2533 90; 90; 90	3783.06	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574946	CIF	C38 H26 Mn2 N10 O4 Re	P 4/n :2	14.3992; 14.3992; 18.2847 90; 90; 90	3791.09	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574947	CIF	C38 H28 Mn2 N10 O4 Re	P 4/n :2	14.3878; 14.3878; 18.169 90; 90; 90	3761.14	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer. Chemical science, 2025, 16, 13413-13421
1574948	CIF	C21 H32 Cl3 F6 N P2 Ru	P 1 21/c 1	8.718; 18.4723; 16.8326 90; 91.306; 90	2710	Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene. Chemical science, 2025, 16, 13422-13434
1574949	CIF	C28 H48 Cl2 N2 P2 Ru	P 1 21/c 1	17.0703; 22.3344; 16.3747 90; 98.02; 90	6181.9	Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene. Chemical science, 2025, 16, 13422-13434
1574950	CIF	C26 H47 N2 P Ru Si2	P 1 21/c 1	13.9298; 16.2626; 13.8275 90; 112.534; 90	2893.26	Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene. Chemical science, 2025, 16, 13422-13434
1574951	CIF	C79 H44 N9 O P	P n m a	15.6389; 13.6916; 23.9526 90; 90; 90	5128.8	Röthel, Maike B; Franzen, Jonas H.; Leitner, Daniel; Hofer, Thomas S.; Seidl, Michael; Dielmann, Fabian Phosphonium fullerides: isolable zwitterionic adducts of a phosphine with C<sub>60</sub>. Chemical science, 2025, 16, 13189-13195
1574952	CIF	C60 H65 Cd3 N10 O17	P 1 21/c 1	15.4946; 24.9495; 18.6668 90; 113.048; 90	6640.2	Pei, Li; Zhang, Jieming; Ding, Wenqin; Wang, Jian; Huang, Fangmin; Liu, Yanhong; Liu, Ziran; Gao, Yafei; Wu, Pengyan Recyclable luminescent metal-organic frameworks with self-formed diketone-like sites for cascade ratiometric detection. Nanoscale, 2025, 17, 17324-17333
1574953	CIF	C28 H24 N4 O8	P 1 21/n 1	15.9306; 6.8372; 22.9367 90; 94.722; 90	2489.8	Liu, Zihan; Zhao, Xinyi; Duan, Yuai; Li, Yaping; Wang, Zhijia; Wang, Zixuan; Zhang, Jiarong; Yuan, Jing; Geng, Hua; Han, Tianyu An intelligent tactile imaging-recognition sensor system enabled <i>via</i> a methoxynitrobenzene-salicylaldehyde fluorescent material. Materials horizons, 2025, 12, 8095-8109
1574954	CIF Paper	C9 H12 Br2 Cl2	P 1 21/c 1	7.2027; 22.1157; 7.5534 90; 105.517; 90	1159.35	Detert, Heiner; Schollmeyer, Dieter rac-4,5-trans-Dibromo-9,9-dichloro-cis-bicyclo[6.1.0]nonane IUCrData, 2025, 10, x250573
1574955	CIF Paper	C20 H28 N2 O5	P 21 21 21	7.9541; 12.5763; 20.3351 90; 90; 90	2034.18	Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. 4-Hydroxy-N,N-diisopropyltryptammonium hydrofumarate IUCrData, 2025, 10, x250564
1574956	CIF Paper	C16 H30 Mn O6 S4	C 1 2/c 1	38.4331; 5.4083; 11.0637 90; 93.566; 90	2295.22	Jumabaev, Farkhod Raxmatovich; Sharipov, Avez Tuymuradovich; Mannopova, Vazirakhon Khasanxoja kizi; Choriyev, Odil Irgashevich; Ashurov, Jamshid Mengnorovich Diaquabis(DL-α-lipoato-κ2 O,O′)manganese(II) IUCrData, 2025, 10, x250565
1574957	CIF Paper	C36 H23 F12 N2 Nd O8 S4	C 1 2/c 1	17.3191; 12.6547; 20.5387 90; 103.772; 90	4372.01	Bravo-Arredondo, José Manuel; Bernès, Sylvain; Mejía, Karen; Anzaldo, Bertin; Ramírez, Erick; Moro, David 2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ2 O,O′)neodymium(III) IUCrData, 2025, 10, x250569
1574958	CIF	C75 H130 Al2 N6 P2 Si2	P -1	10.4696; 10.7334; 19.3518 91.039; 104.121; 105.729	2021.7	Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi Aluminacyclopropene-phosphine complex: a carbene-exchange reagent. Chemical science, 2025, 16, 14225-14230
1574959	CIF	C62 H99 Al Cl Cu N5 P Si	P 1 21/c 1	24.8337; 10.5705; 25.3214 90; 109.228; 90	6276.2	Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi Aluminacyclopropene-phosphine complex: a carbene-exchange reagent. Chemical science, 2025, 16, 14225-14230
1574960	CIF	C46 H79 Al N5 P Si	P 1 21/n 1	13.896; 17.3957; 19.5978 90; 104.351; 90	4589.6	Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi Aluminacyclopropene-phosphine complex: a carbene-exchange reagent. Chemical science, 2025, 16, 14225-14230
1574961	CIF	C46 H79 Al N5 P Si	P 1 21/n 1	12.659; 17.5105; 20.6407 90; 90.19; 90	4575.3	Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi Aluminacyclopropene-phosphine complex: a carbene-exchange reagent. Chemical science, 2025, 16, 14225-14230
1574962	CIF	C62 H101 Al N5 O P Si	P -1	12.0584; 13.9968; 18.0629 90.561; 92.765; 98.516	3011.1	Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi Aluminacyclopropene-phosphine complex: a carbene-exchange reagent. Chemical science, 2025, 16, 14225-14230
1574963	CIF	C50 H87 Al N5 P Si	P 1 21/c 1	15.9863; 17.6296; 18.6567 90; 95.958; 90	5229.7	Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi Aluminacyclopropene-phosphine complex: a carbene-exchange reagent. Chemical science, 2025, 16, 14225-14230
1574964	CIF	C46 H79 Al N5 P Si	P 1 21/n 1	12.1189; 21.9059; 18.1582 90; 100.85; 90	4734.4	Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi Aluminacyclopropene-phosphine complex: a carbene-exchange reagent. Chemical science, 2025, 16, 14225-14230
1574965	CIF	C60 H104 Cu2 N6 Se2 Si6	P 1 21/n 1	16.06; 9.6579; 22.092 90; 91.67; 90	3425.1	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574966	CIF	C56 H86 Cu2 N4 O2 Si2	P -1	10.836; 11.503; 11.911 100.995; 101.007; 99.443	1399.3	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574967	CIF	C57.5 H94 B2 Cu2 N6 O4 Si6	P 1 21/c 1	10.839; 18.764; 17.165 90; 91.861; 90	3489.2	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574968	CIF	C66 H102 Ag2 N6 P2 Si6	P 1 21/c 1	10.4355; 27.531; 13.1929 90; 103.102; 90	3691.6	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574969	CIF	C60 H104 Ag2 N6 Se2 Si6	P 1 21/n 1	9.8038; 25.541; 14.7234 90; 98.888; 90	3642.5	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574970	CIF	C39 H63 Ag2 N3 Si3	P -1	10.0668; 12.265; 19.889 78.55; 77.056; 65.83	2167.7	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574971	CIF	C30 H52 Cu N3 Si3	P 1 21/c 1	8.7311; 16.101; 24.398 90; 96.891; 90	3405.1	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574972	CIF	C15 H15 B O2	P n m a	23.369; 11.3535; 4.5612 90; 90; 90	1210.2	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574973	CIF	C40 H64 Cu N3 Si3	P 1 21/c 1	21.7756; 9.2187; 22.1281 90; 102.979; 90	4328.6	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574974	CIF	C46 H76 Cu N5 Si3	C 1 c 1	17.1666; 13.51; 22.268 90; 102.071; 90	5050.2	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574975	CIF	C39 H60 Cu N3 Si2	P 1 21/c 1	9.4686; 21.957; 19.381 90; 99.17; 90	3977.9	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574976	CIF	C33 H51 Cu N3 P Si3	P 1 21/c 1	10.4856; 26.848; 13.129 90; 102.797; 90	3604.2	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574977	CIF	C33 H58 Cu N3 Si3	P -1	12.089; 12.897; 13.78 85.671; 71.467; 66.64	1866.9	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574978	CIF	C65 H100 Cu2 N6 Si6	I b a 2	25.182; 13.756; 20.876 90; 90; 90	7232	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574979	CIF	C33 H41 Ag F10 N4 Si3	P 1 21/n 1	15.1058; 13.7633; 19.4686 90; 106.283; 90	3885.3	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574980	CIF	C127 H196 N12 Si8	P 1 21/n 1	10.07; 39.582; 16.882 90; 102.573; 90	6568	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574981	CIF	C48 H68 Cl2 Cu2 N4 Si2	P 1 21/n 1	10.1287; 13.8838; 17.7827 90; 94.649; 90	2492.5	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574982	CIF	C33 H58 Ag N3 Si3	P -1	12.0478; 13.1539; 13.8184 86.515; 71.449; 67.362	1911.4	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574983	CIF	C36 H64 Ag N3 Si3	P 1 21/c 1	9.365; 20.278; 21.736 90; 97.745; 90	4090	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574984	CIF	C31 H36 Cu N3 Se Si3	C 1 2/c 1	17.82; 11.6656; 31.588 90; 97.787; 90	6506	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574985	CIF	C35 H56 Cu N5 Si3	P 1 21/c 1	11.5755; 14.9774; 22.191 90; 90.984; 90	3846.7	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574986	CIF	C34 H55 Cu N4 Si3	P -1	12.8772; 13.0612; 14.7699 70.646; 75.242; 60.717	2031.3	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574987	CIF	C33 H41 Cu F10 N4 Si3	P 1 21/n 1	14.938; 13.376; 19.384 90; 105.935; 90	3724.3	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574988	CIF	C28.5 H49 Cu N4 Si3	C 1 c 1	8.9008; 40.36; 19.289 90; 101.101; 90	6800	Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes. Chemical science, 2025, 16, 14518-14533
1574989	CIF	C14 H17 B N2 O S Si	P -1	8.7713; 9.3831; 10.1855 84.231; 69.773; 75.245	760.579	Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger Tuning the emission properties of luminescent 1,2,3-diazaborinates. Chemical science, 2025, 16, 15086-15096
1574990	CIF	C17 H13 B N2 S	P 1 21/n 1	11.1933; 9.5312; 13.974 90; 101.575; 90	1460.51	Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger Tuning the emission properties of luminescent 1,2,3-diazaborinates. Chemical science, 2025, 16, 15086-15096
1574991	CIF	C32 H44 N4 O6	P 21 21 21	7.8893; 9.6176; 41.2385 90; 90; 90	3129.02	Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos). Chemical science, 2025, 16, 14152-14160
1574992	CIF	C37 H63 N3 P2	P -1	14.591; 17.3926; 18.466 102.698; 97.838; 114.743	4011.6	Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos). Chemical science, 2025, 16, 14152-14160
1574993	CIF	C25 H51 N3 P2	P -1	17.505; 18.2908; 20.1417 66.305; 68.119; 72.629	5395.23	Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos). Chemical science, 2025, 16, 14152-14160
1574994	CIF	C19 H18 Cl2 N2 O2 S	P b c n	28.9107; 14.6104; 9.1891 90; 90; 90	3881.4	Vijay, Ragupathi; Yogesh, Dasari; Shanmugam, Ramasamy; Lingaiah, Nakka; Ponpandian, Thanasekaran; Gunasekar, Gunniya Hariyanandam A metal-free porous organic polymer-based heterogeneous catalyst for the borrowing hydrogen-mediated N-alkylation of sulfonamides with alcohols Catalysis Science & Technology, 2025, 15, 4684-4691
1574995	CIF	C104 H130 Cu2 O27	P 1 21/c 1	22.468; 10.54; 20.861 90; 91.8; 90	4937.7	Jia, Xiao-Ran; Gao, Zi-Xuan; Fei, Hai-Ming; Lan, Li-Juan; Yu, Cai-Xia; Qian, Yong; Liu, Lei-Lei Highly efficient and selective Sr<sup>2+</sup> capture using robust two-dimensional MOF nanosheets decorated with cage-like cavities. Chemical science, 2025, 16, 14231-14241
1574996	CIF	C14 H22 Cl2 N2 Ni O4 S2	P -1	5.6865; 8.1059; 10.908 98.438; 101.431; 101.186	474.41	Kong, Xianqiang; Chen, Yiyi; Zhang, Shuangquan; Feng, Kun; Chen, Xiaohui; Dong, Lin-Hui; Li, Meng-Hua; Xu, Yuan-Qing; Cao, Zhong-Yan Electrochemically promoted defluorinative sulfoximination and fluorosulfonylation of non-activated aryl fluorides at room temperature. Chemical science, 2025, 16, 14161-14169
1574997	CIF	C21 H20 N2 O5	P 1 21/c 1	14.018; 17.554; 7.8113 90; 104.941; 90	1857.2	Vinod, Kavya; Thomas, Diana; Hariharan, Mahesh Structural disorder as a key to photoprotection in eumelanin multimers. Chemical science, 2025, 16, 14304-14313
1574998	CIF	C115.2 H174.8 N8 O4 U2	P 1 21/c 1	9.8734; 20.7159; 26.4929 90; 96.162; 90	5387.5	Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex. Chemical science, 2025, 16, 14242-14251
1574999	CIF	C57 H104 N4 O6 Si U	P -1	11.2069; 14.7053; 18.7776 84.7; 80.165; 82.473	3015.04	Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex. Chemical science, 2025, 16, 14242-14251
1575000	CIF	C50 H86 N4 O4 U	P 1 21/n 1	16.1897; 15.6587; 19.7929 90; 96.971; 90	4980.6	Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex. Chemical science, 2025, 16, 14242-14251
1575001	CIF	C130 H166 O18	P 1 21/n 1	12.587; 20.924; 22.9 90; 90.935; 90	6030	Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests. Chemical science, 2025, 16, 14262-14269
1575002	CIF	C126.89 H168.73 O18	P -1	12.062; 21.595; 23.1024 95.788; 92.174; 99.902	5888	Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests. Chemical science, 2025, 16, 14262-14269
1575003	CIF	C24 H16 Cl2 Mn N4	P 1 21/n 1	10.2331; 17.097; 12.6421 90; 100.465; 90	2175	Lin, Quan; Lin, Liping; Wang, Jingjing; Yu, Daohong; Chen, Zhengwang; Wang, Zhong-Xia Manganese-mediated C(sp)-Si cross-electrophile coupling of alkynyl halides with chlorosilanes. Chemical science, 2025, 16, 14216-14224
1575004	CIF	C27 H22 Cl N5 O Ru	P 21 21 21	9.4383; 15.9847; 18.7749 90; 90; 90	2832.5	Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex Chemical Science, 2025, 16, 7573-7578
1575005	CIF	C17 H15 N3 O	P -1	9.4605; 9.5615; 9.9418 116.535; 108.263; 100.865	704.62	Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex Chemical Science, 2025, 16, 7573-7578
1575006	CIF	C6 H5 Co0.5 N O3	P 31 2 1	11.9831; 11.9831; 8.335 90; 90; 120	1036.51	Hussain, Nissar; Mobin, Shaikh M. Tailored design of an oxygen-rich stable Co-MOF integrated with MXene nanofibers as an advanced heterostructure for high-performance ammonium-ion supercapacitors Chemical Science, 2025, 16, 8460-8469
1575007	CIF	C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9	P -1	26.3081; 31.481; 32.9947 71.067; 86.315; 89.79	25790	Zhang, Wei; Xu, Tingting; Kong, Jie; Li, Yuanming; Zhou, Xiaoguo; Zhang, Jiachen; Zhang, Qun; Song, Yongbo; Luo, Yi; Zhou, Meng Intensive near-infrared emitting Au7Cu10 nanoclusters for both energy and electron harvesting Chemical Science, 2025, 16, 8910-8921
1575008	CIF	C81 H70 B4 Cl2 S4	P 1 21/c 1	16.014; 14.2052; 15.6151 90; 106.374; 90	3408.09	Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior Chemical Science, 2025, 16, 8764-8771
1575009	CIF	C63 H42 B2 Cl2 F6 S2	P -1	8.0487; 11.461; 13.8943 83.718; 78.136; 84.362	1243	Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior Chemical Science, 2025, 16, 8764-8771
1575010	CIF	C72 H70 B2 S2	I 41/a :2	28.7061; 28.7061; 13.725 90; 90; 90	11310	Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior Chemical Science, 2025, 16, 8764-8771
1575011	CIF	C42 H32 B2 F6 S2	P -1	13.4613; 15.9611; 18.0475 88.617; 74.222; 75.94	3616.09	Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior Chemical Science, 2025, 16, 8764-8771
1575012	CIF	C26 H24 O2 P2	P 1 21/n 1	11.443; 11.3282; 17.464 90; 102.219; 90	2212.5	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575013	CIF	C78 H74 Cl4 Mn2 O7 P6	C 1 c 1	11.2956; 26.7171; 25.3047 90; 100.865; 90	7499.7	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575014	CIF	C78 H74 Cl4 Mn O7 P6 Zn	C 1 c 1	11.2591; 26.7307; 25.1411 90; 100.52; 90	7439.4	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575015	CIF	C79 H72 Cl4 Mn2 N2 O6 P6	P 1 21/c 1	13.0568; 19.8458; 29.0464 90; 91.42; 90	7524.3	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575016	CIF	C52 H48 Cl4 O5 P4 Zn2	R -3 :H	26.4176; 26.4176; 20.5907 90; 90; 120	12444.8	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575017	CIF	C78 H72 Cl4 Mn2 O6 P6	C 1 c 1	11.4017; 27.3917; 25.2074 90; 99.877; 90	7755.9	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575018	CIF	C78 H72 Cl4 Mn2 O6 P6	C 1 c 1	11.3912; 27.2867; 25.2528 90; 100.008; 90	7729.8	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575019	CIF	C78 H74 Cl4 Mn2 O7 P6	C 1 c 1	11.3782; 27.137; 25.3156 90; 100.19; 90	7693.4	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575020	CIF	C78 H72 Cl4 Mn2 O6 P6	C 1 c 1	11.2747; 26.9136; 25.1091 90; 100.442; 90	7493	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material Chemical Science, 2025, 16, 8979-8997
1575021	CIF	C27 H20 F N O6	P 1	7.7941; 15.0015; 18.7462 95.028; 94.368; 92.216	2174.82	Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction Chemical Science, 2025, 16, 8940-8945
1575022	CIF	C48 H38 Cl2 O10	P 1 21 1	13.2767; 7.8477; 19.7078 90; 109.306; 90	1937.92	Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction Chemical Science, 2025, 16, 8940-8945
1575023	CIF	C48 H38 Br2 O10	P 1 21 1	13.3142; 7.8396; 19.8412 90; 108.449; 90	1964.55	Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction Chemical Science, 2025, 16, 8940-8945
1575024	CIF	C12 H18 B N3 O2 S	P 1 21/n 1	10.0323; 14.0039; 10.9141 90; 116.185; 90	1375.98	Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S. Catalytic insertion of nitrenes into B–H bonds Chemical Science, 2025, 16, 6298-6306
1575025	CIF	C22 H29 B11 N2 O5 S	P -1	7.0532; 13.9162; 14.4394 80.019; 81.48; 81.506	1369.6	Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S. Catalytic insertion of nitrenes into B–H bonds Chemical Science, 2025, 16, 6298-6306
1575026	CIF	C18 H11 B Br F5 N2 O3 S	P 1	7.948; 8.047; 16.16 92.793; 100.437; 107.826	961.6	Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S. Catalytic insertion of nitrenes into B–H bonds Chemical Science, 2025, 16, 6298-6306
1575027	CIF	C19 H25 B N4 O4 S2	P 1 21/n 1	15.601; 8.9989; 15.8836 90; 107.422; 90	2127.6	Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S. Catalytic insertion of nitrenes into B–H bonds Chemical Science, 2025, 16, 6298-6306
1575028	CIF	C18.86 H18.72 B Cl1.72 N2 O2 S	P -1	15.0095; 15.3676; 17.4816 78.015; 77.183; 81.734	3825.9	Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S. Catalytic insertion of nitrenes into B–H bonds Chemical Science, 2025, 16, 6298-6306
1575029	CIF	C19.33 H11.33 Cl F3 N4 O S	R 3 :H	21.67271; 21.67271; 10.76754 90; 90; 120	4379.99	Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D. Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones Chemical Science, 2025, 16, 10494-10502
1575030	CIF	C21 H21 F3 N2 O3 S2	P 21 21 21	8.07483; 15.56758; 17.59729 90; 90; 90	2212.08	Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D. Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones Chemical Science, 2025, 16, 10494-10502
1575031	CIF	C18 H13 F3 N2 O2 Se	P 1 21 1	9.51115; 16.17558; 10.71507 90; 91.4505; 90	1647.97	Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D. Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones Chemical Science, 2025, 16, 10494-10502
1575032	CIF	C25 H37 B2 N	P 1 21/n 1	11.2146; 14.2724; 13.2961 90; 105.298; 90	2052.76	Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J. Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane Chemical Science, 2025, 16, 9255-9263
1575033	CIF	C24 H32 B2 S2	P -1	6.5122; 9.5179; 10.1405 116.147; 98.075; 99.496	540.11	Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J. Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane Chemical Science, 2025, 16, 9255-9263
1575034	CIF	C28 H34 B2 S3	P 1 21 1	6.45827; 21.26402; 18.39205 90; 94.8085; 90	2516.87	Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J. Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane Chemical Science, 2025, 16, 9255-9263
1575035	CIF	C22 H30 B2 S2	P -1	6.4133; 8.766; 9.6703 112.891; 91.006; 102.222	486.47	Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J. Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane Chemical Science, 2025, 16, 9255-9263
1575036	CIF	C29 H48 B3 N	P n m a	13.5001; 15.0759; 12.6679 90; 90; 90	2578.25	Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J. Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane Chemical Science, 2025, 16, 9255-9263
1575037	CIF	C43 H63 B N2 Zn	P 1 21/n 1	12.7925; 24.0811; 13.5539 90; 107.123; 90	3990.3	Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J. Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane Chemical Science, 2025, 16, 9255-9263
1575038	CIF	C12 H16 Cu N2 O8	P -1	6.3123; 6.8085; 9.1809 98.952; 105.115; 108.659	348.36	Saha, Rajat; Sharma, Amitosh; Siddiqui, Anjila I.; Benmansour, Samia; Ortega-Castro, Joaquín; Frontera, Antonio; Mondal, Biswajit; Lah, Myoung Soo; Gómez García, Carlos J. Simultaneous electron and proton conduction in a stable metal organic material with highly selective electrocatalytic oxygen reduction reaction to water Chemical Science, 2025, 16, 9501-9508
1575039	CIF	C22 H26 Br2 N P	P n a 21	11.8011; 13.8575; 26.5401 90; 90; 90	4340.2	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging Chemical Science, 2025, 16, 9375-9384
1575040	CIF	C24 H30 Br4 Mn N P	P 1 21/n 1	13.0431; 11.9668; 18.5423 90; 100.809; 90	2842.81	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging Chemical Science, 2025, 16, 9375-9384
1575041	CIF	C24 H30 Br4 Mn N P	P 1 21/n 1	13.0107; 12.3135; 18.7294 90; 101.032; 90	2945.1	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging Chemical Science, 2025, 16, 9375-9384
1575042	CIF	C24 H29 Br4 Mn N P	P 1 21/n 1	13.0405; 11.9672; 18.5389 90; 100.787; 90	2842.03	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging Chemical Science, 2025, 16, 9375-9384
1575043	CIF	C24 H30 Br4 Mn N P	P 1 21/n 1	13.0435; 11.7766; 18.3955 90; 100.719; 90	2776.39	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging Chemical Science, 2025, 16, 9375-9384
1575044	CIF	C22 H26 Br4 Mn N P	P -1	8.5137; 12.2993; 12.7994 105.646; 95.716; 93.676	1278.38	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging Chemical Science, 2025, 16, 9375-9384
1575045	CIF	C24 H30 Br4 Mn N P	P 1 21/n 1	13.0324; 12.1492; 18.6523 90; 100.893; 90	2900.1	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging Chemical Science, 2025, 16, 9375-9384
1575046	CIF	C24 H29.5 Br2 N P	P 1 21/c 1	27.4156; 14.9303; 11.6527 90; 101.431; 90	4675.1	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging Chemical Science, 2025, 16, 9375-9384
1575047	CIF	C25 H20 N4 O4 S2	P 1	4.6973; 11.16; 11.554 67.35; 82.509; 87.05	554.2	Lai, Hui-Juan; Wang, Xu; Wang, Yuan; Wu, Wei-Na; Xu, Zhi-Hong A Golgi-targeting fluorescent probe for the detection of hydrazine in biological and environmental systems. Analytical methods : advancing methods and applications, 2025, 17, 6317-6325
1575048	CIF	C24 H19 F O3	P 1 21 1	9.2269; 13.0774; 15.755 90; 100.223; 90	1870.88	Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes. Chemical science, 2025, 16, 14252-14261
1575049	CIF	C152 H132 N4 O20 S4	P 1 21 1	9.8872; 31.082; 11.0103 90; 108.905; 90	3201.1	Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes. Chemical science, 2025, 16, 14252-14261
1575050	CIF	C30 H33 N O5 S	P 21 21 21	10.0206; 15.6245; 17.2804 90; 90; 90	2705.5	Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes. Chemical science, 2025, 16, 14252-14261
1575051	CIF	C12 H18 N6 O6 S2	P 1 21/c 1	11.359; 9.285; 9.048 90; 101.453; 90	935.3	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
1575052	CIF	C0.11 H0.27 B0.05 N0.05 O6.05 Si2.96	C m c 21	13.771; 17.3783; 5.0214 90; 90; 90	1201.7	Liu, Li; Xie, Haodong; Ni, Xiang; Yang, Xue; Liu, Yan; Ma, Yufang; Yuan, Feixiang; Tao, Shuo; Wang, Lei; Zhu, Hongjun Defective plane induced fractal TON zeolites for efficient hydroisomerization of long-chain hydrocarbons. Nanoscale, 2025, 17, 11049-11059
1575053	CIF	C12 H10 Br N3 O	P b c a	5.7564; 12.4294; 32.2384 90; 90; 90	2306.61	Triviño-Rojas, Maida Katherine; Jiménez-Lopez, Santiago José; D’Vries, Richard; Aragón-Muriel, Alberto; Polo-Cerón, Dorian In Vitro Antibacterial Activities and Calf Thymus DNA–Bovine Serum Albumin Interactions of Tridentate NNO Hydrazone Schiff Base–Metal Complexes Inorganics, 2025, 13, 213
1575054	CIF	Ca5.25 Co2.87 Cu3.88 O32 P8	P 1 21/n 1	8.804; 4.897; 14.5772 90; 93.993; 90	626.94	Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Vasiliev, Alexander Crystal Chemistry and Thermodynamic Properties of Mineralogically Probable Phosphate Ca2.62Cu1.94Co1.44(PO4)4—Structurally Related to Natural Arsenate Zubkovaite Minerals, 2025, 15, 645
1575055	CIF	C18 H16 Cl N4 O4 Re S	P 1 21 1	6.8027; 14.4708; 11.1451 90; 107.098; 90	1048.64	Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives Molecules, 2025, 30, 2776
1575056	CIF	C18 H14 Cl3 N4 O3 Re	P -1	7.9671; 11.1386; 12.6625 89.6778; 79.3892; 75.9949	1070.76	Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives Molecules, 2025, 30, 2776
1575057	CIF	C18 H14 Cl N4 O3 Re	P 1 21/c 1	8.3767; 7.3859; 30.3253 90; 95.9593; 90	1866.07	Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives Molecules, 2025, 30, 2776
1575058	CIF	C18 H14 Cl N4 O3 Re	P -1	9.3125; 12.2753; 16.5599 88.747; 88.494; 79.656	1861.33	Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives Molecules, 2025, 30, 2776
1575059	CIF	C158 H202 Fe4 Se2 Sn2	P 1 21/n 1	19.3954; 35.2095; 21.6237 90; 113.369; 90	13555.5	Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro Ferrocenyl Substituted Stannanethione and Stannaneselone Molecules, 2025, 30, 2826
1575060	CIF	C76 H98 Fe2 S4 Sn	P 1 21/n 1	15.4833; 22.5112; 20.9383 90; 108.018; 90	6940.1	Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro Ferrocenyl Substituted Stannanethione and Stannaneselone Molecules, 2025, 30, 2826
1575061	CIF	C76 H98 Fe2 S5.2 Sn	P n n a	18.3966; 30.5224; 13.0978 90; 90; 90	7354.52	Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro Ferrocenyl Substituted Stannanethione and Stannaneselone Molecules, 2025, 30, 2826
1575062	CIF	C76 H98 Fe2 Se4.2 Sn	P 1 21/n 1	25.7657; 11.3819; 25.9495 90; 111.185; 90	7095.72	Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro Ferrocenyl Substituted Stannanethione and Stannaneselone Molecules, 2025, 30, 2826
1575063	CIF	C88 H114 Fe2 S Sn	P -1	12.6041; 13.7615; 23.5222 97.278; 103.25; 100.371	3845.9	Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro Ferrocenyl Substituted Stannanethione and Stannaneselone Molecules, 2025, 30, 2826
1575064	CIF	C82 H114 Fe2 O S Sn	P 1 2/c 1	11.5071; 16.237; 20.2036 90; 104.665; 90	3651.88	Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro Ferrocenyl Substituted Stannanethione and Stannaneselone Molecules, 2025, 30, 2826
1575065	CIF	C26 H21 B N2 O2	I 41/a :2	26.6167; 26.6167; 11.781 90; 90; 90	8346.2	Cinco, Anita; Ardizzoia, G. Attilio; Brenna, Stefano; Therrien, Bruno; Colombo, Gioele Boron-Centered Compounds: Exploring the Optical Properties of Spiro Derivatives with Imidazo[1,5-<i>a</i>]Pyridines. Molecules (Basel, Switzerland), 2025, 30, 2552
1575066	CIF	C65.1 H32.4 Cl16 N2	P -1	8.2856; 17.898; 21.953 108.813; 97.313; 93.276	3039.8	Arnold, Mona E.; Lebzelter, Anika; Thielert, Philipp; Blinder, Rémi; Schmid, Jonas; Zolg, Julia; Spatola, Emanuele; Jelezko, Fedor; von Delius, Max; Richert, Sabine; Kuehne, Alexander J. C. Photostable triphenylmethyl-based diradicals with a degenerate singlet-triplet ground state and strong photoluminescence. Chemical science, 2025, 16, 14616-14624
1575067	CIF	C401 H398.2 B10.45 Br6.8 Cl0.15 F41.8 N72 Ni8 O40	P -1	21.8986; 22.3981; 43.4906 104.597; 98.324; 94.218	20290.3	Williams, James R.; Ward, Michael D. An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages. Nanoscale, 2025, 17, 17285-17293
1575068	CIF	C27 H27 B2 Co F8 N9	P 1 21/n 1	12.6814; 12.1894; 20.2334 90; 104.141; 90	3032.88	Williams, James R.; Ward, Michael D. An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages. Nanoscale, 2025, 17, 17285-17293
1575069	CIF	C372.2 H412.8 B12.75 Cl1.55 F51 Fe8 N72 O38.2	C 1 2/c 1	32.9811; 30.0048; 39.7967 90; 96.454; 90	39132.9	Williams, James R.; Ward, Michael D. An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages. Nanoscale, 2025, 17, 17285-17293
1575070	CIF	C406.5 H427.5 B10.82 F43.28 N75 Ni8 O40.5 S3	P -1	21.4417; 22.1353; 24.3064 78.562; 72.319; 88.964	10762.1	Williams, James R.; Ward, Michael D. An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages. Nanoscale, 2025, 17, 17285-17293
1575071	CIF	C12 H24 B10 S3 Ti	P b c a	12.0927; 12.8115; 26.9444 90; 90; 90	4174.4	Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3). Chemical science, 2025, 16, 14127-14139
1575072	CIF	C12 H24 B9 S3 V	P 1 21/n 1	10.449; 14.2128; 13.26 90; 92.289; 90	1967.7	Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3). Chemical science, 2025, 16, 14127-14139
1575073	CIF	C7 H14 B10 S3 Ti	P b c a	13.4518; 12.5002; 19.0272 90; 90; 90	3199.4	Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3). Chemical science, 2025, 16, 14127-14139
1575074	CIF	C12 H27 B11 S2 Ti	P b c a	12.1687; 12.8758; 26.9268 90; 90; 90	4218.9	Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3). Chemical science, 2025, 16, 14127-14139
1575075	CIF	C83 H130 B10 S15 Ti10	P 1 21/n 1	22.5923; 21.4585; 12.9948 90; 96.737; 90	6256.3	Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3). Chemical science, 2025, 16, 14127-14139
1575076	CIF	C88 H160 B40 O4 S20 Ti12	P 1 21/c 1	13.468; 24.0416; 22.536 90; 100.988; 90	7163.2	Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3). Chemical science, 2025, 16, 14127-14139
1575077	CIF	C43 H30 N2	P -1	7.6245; 11.3457; 18.9104 98.867; 96.371; 104.22	1547.7	Du, Yuqin; Peng, Yali; Dong, Wenjian; Xu, Huixia; Li, Xinyu; Chen, Kang; Wang, Feng; Miao, Yanqin; Tao, Peng; Wang, Hua; Yu, Junsheng Hybridized local and charge-transfer materials using pyrene as π-bridge towards negligible efficiency roll-off in non-doped OLED. Chemical science, 2025, 16, 14342-14349
1575078	CIF	C30 H25 B Br2 F2 N2 O3	P 1 21/c 1	7.88303; 9.5602; 36.0425 90; 93.3839; 90	2711.55	Kuznetsov, Kirill M.; Mesdom, Pierre; Purkait, Kallol; Blacque, Olivier; Winter, Arthur H.; Cariou, Kevin; Gasser, Gilles Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent? Chemical science, 2025, 16, 14553-14563
1575079	CIF	C39 H34 B N O2	P 1 21 1	9.4724; 36.55; 9.4864 90; 117.303; 90	2918.4	Chen, Zi-Jian; Lu, Hsiu-Feng; Chiu, Chun-Wei; Liu, Yi-Hung; Hsu, Chao-Ping; Yang, Jye-Shane Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation. Chemical science, 2025, 16, 14366-14376
1575080	CIF	C25 H24 B N O2	P b c a	17.4621; 8.4696; 27.8916 90; 90; 90	4125.1	Chen, Zi-Jian; Lu, Hsiu-Feng; Chiu, Chun-Wei; Liu, Yi-Hung; Hsu, Chao-Ping; Yang, Jye-Shane Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation. Chemical science, 2025, 16, 14366-14376
1575081	CIF	C36 H28 Cl2 Ir2 N8	P 1 21/n 1	10.2164; 11.4613; 29.273 90; 90.266; 90	3427.6	Wójcik, Patryk; Latouche, Camille; Suwińska, Kinga; Kamecka, Anna Spectroscopic, structural and photophysical characterization of chloro-bridged iridium(III) and rhodium(III) dinuclear complexes with 1-phenyl-1<i>H</i>-pyrazole and their analogues with 1-(2,4-difluorophenyl)-1<i>H</i>-pyrazole. Dalton transactions (Cambridge, England : 2003), 2025, 54, 12018-12029
1575082	CIF	C36 H20 Cl2 F8 N8 Rh2	C 1 2/c 1	14.4351; 22.1559; 14.2328 90; 113.577; 90	4172	Wójcik, Patryk; Latouche, Camille; Suwińska, Kinga; Kamecka, Anna Spectroscopic, structural and photophysical characterization of chloro-bridged iridium(III) and rhodium(III) dinuclear complexes with 1-phenyl-1<i>H</i>-pyrazole and their analogues with 1-(2,4-difluorophenyl)-1<i>H</i>-pyrazole. Dalton transactions (Cambridge, England : 2003), 2025, 54, 12018-12029
1575083	CIF	C32 H43 N2 Sc	C 1 2/c 1	35.035; 10.1418; 16.1052 90; 108.426; 90	5429.1	You, Fen; Zhao, Yanan; Shi, Xiaochao Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene Polymer Chemistry, 2025, 16, 3650-3660
1575084	CIF	C32 H43 Gd N2	C 1 2/c 1	35.6226; 10.224; 16.1859 90; 108.227; 90	5599.2	You, Fen; Zhao, Yanan; Shi, Xiaochao Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene Polymer Chemistry, 2025, 16, 3650-3660
1575085	CIF	C32 H43 N2 Tb	C 1 2/c 1	35.5583; 10.2175; 16.1683 90; 108.351; 90	5575.5	You, Fen; Zhao, Yanan; Shi, Xiaochao Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene Polymer Chemistry, 2025, 16, 3650-3660
1575086	CIF	C32 H43 Er N2	C 1 2/c 1	35.403; 10.1885; 16.1303 90; 108.195; 90	5527.3	You, Fen; Zhao, Yanan; Shi, Xiaochao Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene Polymer Chemistry, 2025, 16, 3650-3660
1575087	CIF	C42 H24 B N3	C 1 2/c 1	23.5797; 8.776; 27.269 90; 98.793; 90	5576.6	Xu, Yincai; Xue, Yufeng; Mei, Le; Xie, Zongliang; Wu, Zhu; Yin, Zheng; Chen, Xian-Kai; Wang, Yue; Liu, Bin Organic full-color narrowband afterglow. Materials horizons, 2025, 12, 8555-8564
1575088	CIF	C H N O	P 42	20.6; 20.6; 7.36 90; 90; 90	3123.29	Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation. Chemical science, 2025, 16, 15037-15044
1575089	CIF	C228 H128 N16 O16	I 41/a :2	24.8; 24.8; 7.86 90; 90; 90	4834.21	Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation. Chemical science, 2025, 16, 15037-15044
1575090	CIF	C23 H29 B O4	P 21 21 21	6.6993; 14.819; 21.974 90; 90; 90	2181.5	Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes. Chemical science, 2025, 16, 14988-14994
1575091	CIF	C29 H32 B Br O4	P 21 21 21	6.661; 19.722; 20.481 90; 90; 90	2690.6	Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes. Chemical science, 2025, 16, 14988-14994
1575092	CIF	C24 H23 N O5	P -1	8.1618; 11.0202; 12.1858 80.226; 71.038; 81.929	1017.24	Isono, Tomohiro; Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro Copper-catalyzed direct regioselective C5-H alkylation reactions of functionalized indoles with α-diazomalonates. Chemical science, 2025, 16, 14967-14975
1575093	CIF	C37 H28 N4 O4	P -1	9.3355; 11.5289; 14.8376 100.397; 93.544; 110.076	1462	Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials. Chemical science, 2025, 16, 15723-15733
1575094	CIF	C22 H13 F2 N3 O2	C 1 2/c 1	30.5559; 6.7574; 21.5694 90; 124.734; 90	3660	Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials. Chemical science, 2025, 16, 15723-15733
1575095	CIF	C34 H22 N4 O2	P -1	6.8945; 7.9423; 12.3462 74.095; 83.457; 82.201	642.07	Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials. Chemical science, 2025, 16, 15723-15733
1575096	CIF	C36 H26 N4 O4	P -1	7.684; 7.9687; 12.3504 71.581; 72.351; 85.723	683.53	Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials. Chemical science, 2025, 16, 15723-15733
1575097	CIF	C23 H15 F2 N3 O2	P -1	11.6575; 12.9957; 14.0878 66.322; 89.808; 75.429	1880.21	Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials. Chemical science, 2025, 16, 15723-15733
1575098	CIF	C59 H54 B3 N O2	P 1 21/n 1	17.4318; 7.66062; 34.8985 90; 98.133; 90	4613.42	Wu, Sen; Chen, Dongyang; Seinfeld, Mathilde; McKay, Aidan P.; Cordes, David B.; Zhang, Xiaohong; Zysman-Colman, Eli A three boron doped B/O/N multi-resonant TADF emitter for improved reverse intersystem crossing rate and efficient pure blue organic light-emitting diodes. Chemical science, 2025, 16, 15256-15264
1575099	CIF	C66 H50 N6 Na4 O25 Si2	R -3 c :H	12.1103; 12.1103; 94.1 90; 90; 120	11952	Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming Construction of helicates based on six-coordinated silicon centres. Chemical science, 2025, 16, 14448-14454
1575100	CIF	C105 H107.5 N9.5 Na4 O23.5 Si2	P 3	12.0214; 12.0214; 46.609 90; 90; 120	5833	Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming Construction of helicates based on six-coordinated silicon centres. Chemical science, 2025, 16, 14448-14454
1575101	CIF	C212 H232 N14 Na8 O49 Si4	P 63 2 2	12.0134; 12.0134; 44.831 90; 90; 120	5603.3	Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming Construction of helicates based on six-coordinated silicon centres. Chemical science, 2025, 16, 14448-14454
1575102	CIF	C92 H94 N6 Na4 O33 S3 Si2	P 3 1 c	15.2692; 15.2692; 28.4569 90; 90; 120	5745.8	Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming Construction of helicates based on six-coordinated silicon centres. Chemical science, 2025, 16, 14448-14454
1575103	CIF	C110.6 H139.3 N6 Na4 O38.05 Si2	C 1 2/c 1	40.459; 18.6423; 33.242 90; 95.13; 90	24972	Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming Construction of helicates based on six-coordinated silicon centres. Chemical science, 2025, 16, 14448-14454
1575104	CIF	C233 H311 N12 Na8 O66.5 Si4	P 1 21/c 1	26.7856; 22.6021; 23.289 90; 113.954; 90	12885.1	Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming Construction of helicates based on six-coordinated silicon centres. Chemical science, 2025, 16, 14448-14454
1575105	CIF	C88 H61.5 N6 Na4 O28.5 Si2	P -1	20.0833; 21.0558; 24.167 97.617; 111.2; 91.323	9415.9	Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming Construction of helicates based on six-coordinated silicon centres. Chemical science, 2025, 16, 14448-14454
1575106	CIF	C25 H37 N3 O4 S	P 1 21 1	7.608; 14.414; 11.847 90; 102.228; 90	1269.7	Yang, Zhongzhen; Li, Li; Chen, Jian; Hou, Jinyu; Fan, Hongying; Zhang, Xue; Lv, Guanghui; Wu, Yong Cost-effective chiral auxiliary-assisted remote asymmetric C(sp3)–H alkylation of hydroxamic acid derivatives with glycine derivatives Catalysis Science & Technology, 2025, 15, 4866-4871
1575107	CIF	C36 H30 Cl5 In S2	I 1 2 1	9.5069; 14.7416; 12.734 90; 90.609; 90	1784.53	Qin, Ying; Tang, Yali; Pan, Yue Xiao; Chen, Yingnuo; Xiao, Hongping; Zou, Jun Tailoring the properties of Sb<sup>3+</sup>-doped in-based organic-inorganic hybrid metal halides through A-site cation engineering. Chemical communications (Cambridge, England), 2025, 61, 12518-12521
1575108	CIF	C26 H35 Cl6 In N2 S3	C 1 2 1	14.2222; 9.351; 12.4182 90; 93.818; 90	1647.85	Qin, Ying; Tang, Yali; Pan, Yue Xiao; Chen, Yingnuo; Xiao, Hongping; Zou, Jun Tailoring the properties of Sb<sup>3+</sup>-doped in-based organic-inorganic hybrid metal halides through A-site cation engineering. Chemical communications (Cambridge, England), 2025, 61, 12518-12521
1575109	CIF	C31 H20 N2	P 1 21/c 1	18.6571; 16.184; 7.4554 90; 91.619; 90	2250.23	Zhang, Li; Ma, Chenglin; Wang, Xin; Zhou, Yannan; Song, Jingru; Sun, Mizhen; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng Efficient near-ultraviolet (NUV) electroluminescence based on a benzonitrile acceptor HLCT material with balanced carrier mobilities and high color purity. Chemical science, 2025, 16, 14478-14484
1575110	CIF	C31 H22 N2	P -1	8.147; 9.625; 16.714 97.07; 100.55; 113.8	1150.29	Zhang, Li; Ma, Chenglin; Wang, Xin; Zhou, Yannan; Song, Jingru; Sun, Mizhen; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng Efficient near-ultraviolet (NUV) electroluminescence based on a benzonitrile acceptor HLCT material with balanced carrier mobilities and high color purity. Chemical science, 2025, 16, 14478-14484
1575111	CIF	C38 H62 N4 O15 Zn4	C 1 c 1	12.6715; 14.3504; 14.5469 90; 114.102; 90	2414.6	Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm, 2025, 27, 5583-5594
1575112	CIF	C18 H27 Br N2 O7 Zn2	P 1 21/n 1	9.483; 19.78; 13.087 90; 108.89; 90	2322.6	Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm, 2025, 27, 5583-5594
1575113	CIF	C18 H27 Cl N2 O7 Zn2	P 1 21/n 1	9.4593; 19.398; 12.964 90; 108.532; 90	2255.4	Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm, 2025, 27, 5583-5594
1575114	CIF	C99 H147 Al2 Cl3 N6 O14	P -1	16.9763; 18.1646; 19.483 93.121; 98.03; 106.488	5676.3	Sharma, Vivek; Chetia, Anupam; Majumder, Moumita; Lama, Prem; Sahu, Satyajit; Metre, Ramesh K. Dinuclear aluminum complex as an active material for RRAM switching devices. Dalton transactions (Cambridge, England : 2003), 2025, 54, 12567-12578
1575115	CIF	C104 H99 N10 O3 Si3	P 1 21/c 1	16.3522; 35.9188; 16.5121 90; 116.594; 90	8672.3	Rychikhina, Ekaterina D.; Ivanova, Svetlana S.; Somov, Nikolay V.; Lazovskiy, Dmitry A.; Stuzhin, Pavel A. Silicon(IV) tetraazachlorin - an unusual cycloaddition product from 3,4-diphenyl-1<i>H</i>-pyrrole-2,5-diimine. Dalton transactions (Cambridge, England : 2003), 2025, 54, 11822-11827
1575116	CIF	C32 H42 Cl2 N2 O2 Ru	I 1 2/a 1	17.203; 22.147; 18.0772 90; 114.387; 90	6272.8	Padmor, Manohar Shivaji; Pratihar, Sanjay Near-instantaneous chemoselective transfer hydrogenation of aldehydes with visual endpoint reporting and ultrahigh TOF. Chemical communications (Cambridge, England), 2025, 61, 12932-12935
1575117	CIF	C33 H45 Cl N2 O2 Ru	P 1 21/c 1	12.2707; 14.6482; 17.8518 90; 93.439; 90	3203	Padmor, Manohar Shivaji; Pratihar, Sanjay Near-instantaneous chemoselective transfer hydrogenation of aldehydes with visual endpoint reporting and ultrahigh TOF. Chemical communications (Cambridge, England), 2025, 61, 12932-12935
1575118	CIF	C22 H20 N2 O3	P -1	6.7738; 12.9622; 21.477 85.306; 83.425; 77.317	1824.5	Wu, Qile; Chen, Jingyi; Wu, Haoxian; Wang, Shasha; Liang, Jiaxin; Lo, Tsz Woon Benedict; Zhu, Zhongzhi; Chen, Xiuwen Dearomatization [4+2] cycloaddition for constructing bridged polycyclic lactams. Chemical communications (Cambridge, England), 2025, 61, 12789-12792
1575119	CIF	C19 H15 N O4	P 1 21/c 1	16.448; 8.875; 11.894 90; 106.13; 90	1668	Wu, Qile; Chen, Jingyi; Wu, Haoxian; Wang, Shasha; Liang, Jiaxin; Lo, Tsz Woon Benedict; Zhu, Zhongzhi; Chen, Xiuwen Dearomatization [4+2] cycloaddition for constructing bridged polycyclic lactams. Chemical communications (Cambridge, England), 2025, 61, 12789-12792
1575120	CIF	C39.5 H46 Co3 N2 O13.5	P -1	11.5896; 13.272; 14.6041 102.365; 105.032; 93.29	2103.93	James, Charles A.; Swindells, Jessica E.; Ellis, Harry; Arjariya, Richa; Jarvis, Samuel P.; Brookfield, Adam; Fielden, John Anion controlled selectivity in oxygen reduction catalysed by a dinuclear cobalt N,O-Schiff base complex. Chemical communications (Cambridge, England), 2025, 61, 13201-13204
1575121	CIF	C68 H78 B2 Co4 F8 N4 O16	P -1	12.7253; 13.2722; 22.5229 97.208; 97.696; 108.398	3519.64	James, Charles A.; Swindells, Jessica E.; Ellis, Harry; Arjariya, Richa; Jarvis, Samuel P.; Brookfield, Adam; Fielden, John Anion controlled selectivity in oxygen reduction catalysed by a dinuclear cobalt N,O-Schiff base complex. Chemical communications (Cambridge, England), 2025, 61, 13201-13204
1575122	CIF	C55 H61 Br N2 P2	P 1 21/c 1	22.58; 12.2624; 16.199 90; 94.048; 90	4474.1	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575123	CIF	C54 H59 Al As Cl5 N2 P2	P 1 21/c 1	14.8002; 19.5276; 18.1091 90; 91.085; 90	5232.8	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575124	CIF	C51 H51 Cl2 N2 O P2 Sb	P 1 21/c 1	10.682; 18.781; 22.801 90; 90.795; 90	4574	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575125	CIF	C52 H53 N2 O P2 Sb Se	P 1 21/n 1	11.0961; 18.1134; 22.978 90; 101.282; 90	4529.1	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575126	CIF	C56 H61 Al Cl5 N2 O2 P2 Sb	P 21 21 21	11.017; 18.037; 27.534 90; 90; 90	5471	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575127	CIF	C55 H59 Al Cl3 N2 O1.75 P2 Sb	P b c a	24.7633; 16.3853; 26.216 90; 90; 90	10637.2	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575128	CIF	C58 H68 B N2 O2.5 P2 Sb	C 1 2/c 1	37.562; 13.2376; 20.6432 90; 104.313; 90	9945.8	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575129	CIF	C60 H69 Bi N2 O3 P2 Te	P 1 21/n 1	10.1844; 15.2867; 34.707 90; 97.585; 90	5356.1	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575130	CIF	C56 H63 Cl Mg N2 O2 P2	P -1	12.1739; 12.6388; 36.2781 88.698; 81.1; 64.73	4981.1	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575131	CIF	C48.5 H46 Bi Cl3 N2 P2	P 1 21/c 1	16.2659; 19.044; 16.1671 90; 110.717; 90	4684.2	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575132	CIF	C57 H51 As3 Cl6 F3 N2 O P2	P -1	12.9688; 18.3595; 26.9379 106.082; 93.732; 105.763	5862.5	Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides. Chemical science, 2025, 16, 16232-16239
1575133	CIF	C22 H16 N2	P b c a	15.7315; 9.3263; 21.7128 90; 90; 90	3185.6	Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles Green Chemistry, 2025, 27, 9445-9451
1575134	CIF	C19 H12 N2 S	P 1 21/c 1	12.5897; 7.6742; 15.4587 90; 103.245; 90	1453.83	Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles Green Chemistry, 2025, 27, 9445-9451
1575135	CIF	C24 H48 Br4 Cs2 Ni O12	I b c a	21.3069; 21.3069; 42.148 90; 90; 90	19134.5	Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles Green Chemistry, 2025, 27, 9445-9451
1575136	CIF	C114 H114 Cu14 O12	P -1	14.194; 14.474; 14.986 97.877; 112.526; 97.863	2756.1	Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing <i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties. Chemical communications (Cambridge, England), 2025, 61, 12781-12784
1575137	CIF	C36 H42 Cu7 O6	R -3 :H	24.9424; 24.9424; 19.3098 90; 90; 120	10403.6	Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing <i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties. Chemical communications (Cambridge, England), 2025, 61, 12781-12784
1575138	CIF	C51 H51 Cu7 O6	P b c n	20.018; 20.018; 32.569 90; 90; 90	13051	Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing <i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties. Chemical communications (Cambridge, England), 2025, 61, 12781-12784
1575139	CIF	C153 H153 Cu21 O18	C 1 2/c 1	30.82; 44.212; 38.539 90; 101.634; 90	51435	Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing <i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties. Chemical communications (Cambridge, England), 2025, 61, 12781-12784
1575140	CIF	C45 H48 Cu7 N O6	P a -3	26.729; 26.729; 26.729 90; 90; 90	19096	Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing <i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties. Chemical communications (Cambridge, England), 2025, 61, 12781-12784
1575141	CIF	C40 H38 O5 P2 Pd	P 21 21 21	18.7562; 10.3796; 34.981 90; 90; 90	6810.2	Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M. Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene. Chemical science, 2025, 16, 15486-15498
1575142	CIF	C30 H33 O6 P Pd	P 1 21/n 1	10.9495; 15.9935; 16.2962 90; 99.235; 90	2816.81	Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M. Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene. Chemical science, 2025, 16, 15486-15498
1575143	CIF	C25 H25 O4 P Pd	P 1 21/n 1	13.697; 9.2164; 18.8878 90; 106.9; 90	2281.37	Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M. Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene. Chemical science, 2025, 16, 15486-15498
1575144	CIF	C27.5 H30.5 Fe N12 O4.5 Pd	P -1	7.281; 14.499; 15.355 104.6; 99.89; 90.32	1543.3	Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration. Chemical science, 2025, 16, 15555-15563
1575145	CIF	C27.5 H30.5 Fe N12 O4.5 Pd	P -1	7.26; 14.476; 15.344 104.57; 99.87; 90.32	1535.6	Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration. Chemical science, 2025, 16, 15555-15563
1575146	CIF	C27.5 H30.5 Fe N12 O4.5 Pd	P -1	7.278; 14.5; 15.347 104.59; 99.88; 90.32	1542.1	Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration. Chemical science, 2025, 16, 15555-15563
1575147	CIF	C27.5 H30.5 Fe N12 O4.5 Pd	P -1	7.277; 14.509; 15.381 104.67; 99.99; 90.32	1545.1	Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration. Chemical science, 2025, 16, 15555-15563
1575148	CIF	C27.5 H30.5 Fe N12 O4.5 Pd	P -1	7.288; 14.504; 15.422 104.7; 100.07; 90.33	1550.4	Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration. Chemical science, 2025, 16, 15555-15563
1575149	CIF	C27.5 H30.5 Fe N12 O4.5 Pd	P -1	7.457; 14.711; 15.442 104.49; 99.92; 90.28	1613.5	Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration. Chemical science, 2025, 16, 15555-15563
1575150	CIF	C7.5 H8 Cu0.25 F1.5 N1.25 O2 P0 S0.5	I b a m	8.071; 16.12; 26.964 90; 90; 90	3508.1	Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles. Chemical science, 2025, 16, 15004-15014
1575151	CIF	C28 H32 Cu F6 N4 O4 P	P -1	9.7349; 11.1899; 15.3441 73.793; 74.976; 88.82	1547.8	Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles. Chemical science, 2025, 16, 15004-15014
1575152	CIF	C28 H32 B Cu F4 N4 O4	P 1 21/c 1	14.6532; 11.4428; 16.8771 90; 95.086; 90	2818.7	Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles. Chemical science, 2025, 16, 15004-15014
1575153	CIF	C16 H33 Ir Mo N3	P 1 21/c 1	18.3443; 8.22852; 13.382 90; 90.251; 90	2019.95	Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations. Chemical science, 2025, 16, 14564-14577
1575154	CIF	C24 H42 Ir2 Mo N2	P -1	10.3728; 11.1282; 11.9391 86.479; 80.478; 80.646	1340.23	Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations. Chemical science, 2025, 16, 14564-14577
1575155	CIF	C19 H33 Ir Mo N3 O	P 1 21/n 1	10.4733; 14.127; 15.97 90; 104.7; 90	2285.52	Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations. Chemical science, 2025, 16, 14564-14577
1575156	CIF	C21 H42 Ir Mo N4 O	P -1	10.568; 14.3581; 17.6451 100.148; 101.617; 98.071	2538.22	Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations. Chemical science, 2025, 16, 14564-14577
1575157	CIF	C7 H16 N2 O	P b c a	9.9756; 11.6881; 15.1321 90; 90; 90	1764.34	Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations. Chemical science, 2025, 16, 14564-14577
1575158	CIF	C26 H42 Ir2 Mo N2 O4	P 1 2/n 1	10.9967; 10.9728; 12.1515 90; 90.354; 90	1466.23	Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations. Chemical science, 2025, 16, 14564-14577
1575159	CIF	C24 H45 Ir Mo N4 O2	P 1 21/c 1	10.3416; 18.4312; 14.9177 90; 104.443; 90	2753.57	Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations. Chemical science, 2025, 16, 14564-14577
1575160	CIF	C28 H22 Br N O	P -1	5.8212; 14.194; 14.7214 69.915; 81.048; 86.989	1128.48	Liu, Tu-Ming; Zhu, Lin-Yuan; Qi, Min-Hao; Li, Si-Jia; Wang, Xiao-Jian; Xu, Jia-Rui; Han, Bing Photosensitized diradical rearrangement of alkenyl oxime ethers towards amino-featured oxiranes: reaction, mechanism, and structural prediction. Chemical science, 2025, 16, 14811-14821
1575161	CIF	C7 H7 N3 O12	P 1 21/c 1	6.6576; 18.5752; 9.4128 90; 100.585; 90	1144.24	Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone. Chemical science, 2025, 16, 15587-15596
1575162	CIF	C7 H7 N3 O12	P 1 21/c 1	8.73; 8.696; 15.978 90; 101.351; 90	1189.3	Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone. Chemical science, 2025, 16, 15587-15596
1575163	CIF	C7 H7 N3 O12	P -1	6.0238; 8.8265; 12.058 69.746; 89.688; 72.481	570.07	Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone. Chemical science, 2025, 16, 15587-15596
1575164	CIF	C7 H7 N3 O12	P 1 21/c 1	15.062; 5.9269; 14.178 90; 113.806; 90	1158	Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone. Chemical science, 2025, 16, 15587-15596
1575165	CIF	C7 H6 N4 O13	P 21 21 21	8.3535; 9.1128; 15.6114 90; 90; 90	1188.4	Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone. Chemical science, 2025, 16, 15587-15596
1575166	CIF	C7 H6 N4 O13	P 1 21/n 1	7.1632; 12.3721; 13.9868 90; 92.234; 90	1238.6	Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone. Chemical science, 2025, 16, 15587-15596
1575167	CIF	C7 H6 N4 O13	P 1 21/c 1	8.5994; 7.2097; 20.1577 90; 92.167; 90	1248.87	Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone. Chemical science, 2025, 16, 15587-15596
1575168	CIF	C13 H13 N5	P 1 21/n 1	6.4181; 14.161; 13.2275 90; 101.423; 90	1178.39	Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position. Chemical science, 2025, 16, 15620-15627
1575169	CIF	C13 H13 N5	P 21 21 21	5.6017; 8.7826; 23.5685 90; 90; 90	1159.51	Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position. Chemical science, 2025, 16, 15620-15627
1575170	CIF	C13 H13 N5	P 1 21 1	7.0795; 13.8474; 12.6001 90; 101.205; 90	1211.68	Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position. Chemical science, 2025, 16, 15620-15627
1575171	CIF	C15 H15 N5 O2	P -1	6.3008; 7.7125; 15.2437 88.117; 80.529; 83.044	725.23	Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position. Chemical science, 2025, 16, 15620-15627
1575172	CIF	C18 H16 N2	P 1 21/c 1	8.1945; 16.3667; 10.3703 90; 92.658; 90	1389.34	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575173	CIF	C12 H9 F4 N O2	P 1 21/n 1	9.977; 8.3959; 13.3658 90; 92.807; 90	1118.25	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575174	CIF	C23 H16 F4 N2 O2	P 1 21/n 1	15.31; 7.35; 17.3 90; 98.5; 90	1925	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575175	CIF	C23 H16 F4 N2 O2	P 1 21/n 1	15.5; 7.4; 17.33 90; 97.8; 90	1969	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575176	CIF	C66 H36 F12 N6 O6	P -1	11.0644; 15.0753; 16.1709 89.004; 81.638; 89.699	2668.2	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575177	CIF	C66 H36 F12 N6 O6	P -1	10.8897; 15.0104; 16.1121 89.101; 81.495; 88.995	2604.07	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575178	CIF	C23 H16 F4 N2 O2	P 1 21/n 1	15.3845; 7.331; 17.2664 90; 97.766; 90	1929.51	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575179	CIF	C24 H19 F5 N2 O2	P 1 21/c 1	11.3122; 10.4156; 18.078 90; 99.131; 90	2103.02	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575180	CIF	C23 H16 F4 N2 O2	P 1 21/n 1	15.1449; 7.3085; 17.1746 90; 98.376; 90	1880.72	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575181	CIF	C24 H18 F4 N2 O2	P 1 21/c 1	11.7285; 17.8213; 10.0082 90; 95.225; 90	2083.19	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575182	CIF	C17 H12 N2	P 21 21 21	8.5533; 12.55218; 23.37782 90; 90; 90	2509.9	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575183	CIF	C24 H18 F4 N2 O2	P 1 21/c 1	11.6008; 17.7066; 9.8638 90; 95.439; 90	2017.01	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575184	CIF	C19 H18 N2	P 1 21/c 1	8.0182; 17.9791; 10.2551 90; 93.387; 90	1475.79	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575185	CIF	C19 H18 N2	P -1	9.1685; 9.4713; 19.6236 87.73; 85.797; 62.356	1505.45	McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. Chemical science, 2025, 16, 15320-15332
1575186	CIF	C108 H80 O32 Zr6	P 6/m m m	49.038; 49.038; 16.641 90; 90; 120	34656	Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis. Chemical science, 2025, 16, 14995-15003
1575187	CIF	C108 H64 O32 Zr6	P 6/m m m	50.076; 50.076; 15.169 90; 90; 120	32942	Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis. Chemical science, 2025, 16, 14995-15003
1575188	CIF	C108 H76 O32 Zr6	P 6/m m m	50.274; 50.274; 15.6837 90; 90; 120	34329	Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis. Chemical science, 2025, 16, 14995-15003
1575189	CIF	C108 H80 O32 Zr6	P 6/m m m	50.711; 50.711; 15.1298 90; 90; 120	33695	Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis. Chemical science, 2025, 16, 14995-15003
1575190	CIF	C89 H71.67 Ca4 N9 O29.48	C 1 2/c 1	41.8161; 10.3669; 24.5777 90; 125.549; 90	8668.7	Huang, Zhi; Wei, Jianwei; Wang, Xiang-Yu; Xu, Shaojie; Huang, Ling; Zeng, Le Wavelength-dependent tri-state photoswitching in crystals <i>via</i> synergistic dimer confinement and charge-transfer stacking. Materials horizons, 2025, 12, 9079-9086
1575191	CIF	C56 H48 N6 O16 Sr2	I 41/a :2	28.4224; 28.4224; 13.716 90; 90; 90	11080.2	Huang, Zhi; Wei, Jianwei; Wang, Xiang-Yu; Xu, Shaojie; Huang, Ling; Zeng, Le Wavelength-dependent tri-state photoswitching in crystals <i>via</i> synergistic dimer confinement and charge-transfer stacking. Materials horizons, 2025, 12, 9079-9086
1575192	CIF	C24 H24 I4 N2 Pb	P 1 21/c 1	19.2091; 8.9415; 8.2849 90; 94.122; 90	1419.32	Zugasti-Fernández, Dulce; Román-Román, Priscila I; Gutierrez-Avila, Mara; Gómora-Figueroa, A Paulina; Hernández-Cordero, Juan; Jancik, Vojtech; Hernández-Como, Norberto; Solis-Ibarra, Diego Air-processed, ultraresponsive NIR photodetectors using 2D perovskite hybrids. Chemical science, 2025, 16, 15597-15601
1575193	CIF	C24 H12 O6 S3	P -1	8.481; 11.5996; 11.9086 111.195; 96.371; 107.702	1007.86	Cui, Hao; Chen, Xiang; She, Xiong; Su, Wen-Xin; Chen, Shi-Chao; Zhang, Xiao A pair of strongly reductive and oxidative photocatalysts for the general upcycling of biomass derivatives and plastic wastes. Chemical science, 2025, 16, 16070-16080
1575194	CIF	C29 H21 N O8 S3	P 1 21/c 1	14.4269; 18.7578; 10.6226 90; 108.077; 90	2732.8	Cui, Hao; Chen, Xiang; She, Xiong; Su, Wen-Xin; Chen, Shi-Chao; Zhang, Xiao A pair of strongly reductive and oxidative photocatalysts for the general upcycling of biomass derivatives and plastic wastes. Chemical science, 2025, 16, 16070-16080
1575195	CIF	C72 H100 Cu4 I0 N4 O24	I m m m	9.61; 10.687; 20.153 90; 90; 90	2069.8	Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun Water-mediated synthesis of hydrogen-bonded metal-organic frameworks. Chemical science, 2025, 16, 14919-14923
1575196	CIF	C36 H50 I0 N2 Ni2 O12	I m m m	9.339; 10.761; 20.275 90; 90; 90	2037.6	Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun Water-mediated synthesis of hydrogen-bonded metal-organic frameworks. Chemical science, 2025, 16, 14919-14923
1575197	CIF	C49 H107 Ce I Li N4 O4 Si3	P n a 21	17.7985; 17.8628; 19.3154 90; 90; 90	6141	Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex. Chemical science, 2025, 16, 15510-15517
1575198	CIF	C45 H99 Ce I Li N4 O3 Si3	P 1 21/n 1	15.5528; 19.1984; 19.4099 90; 91.1; 90	5794.5	Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex. Chemical science, 2025, 16, 15510-15517
1575199	CIF	C33 H75 Br Ce N4 Si3	P 1 21/n 1	13.0115; 15.7902; 20.3365 90; 90.712; 90	4177.9	Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex. Chemical science, 2025, 16, 15510-15517
1575200	CIF	C33 H75 Ce N4 Si3	P 1 21/n 1	9.499; 22.531; 19.0088 90; 91.907; 90	4066	Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex. Chemical science, 2025, 16, 15510-15517
1575201	CIF	C33 H75 Ce Cl N4 Si3	P 1 21/n 1	12.9683; 15.5387; 20.3785 90; 90.572; 90	4106.3	Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex. Chemical science, 2025, 16, 15510-15517
1575202	CIF	C264 H600 Ce8 F8 N32 Si24	P 1 21/n 1	20.3562; 19.958; 20.6752 90; 103.739; 90	8159.4	Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex. Chemical science, 2025, 16, 15510-15517
1575203	CIF	C83 H118 K N3 O6 U	P 1 21/n 1	15.80343; 22.6493; 21.5753 90; 96.5821; 90	7671.69	Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction. Chemical science, 2025, 16, 16101-16109
1575204	CIF	C83 H122 K N3 O3 U	P 1 21/n 1	14.81503; 15.69327; 33.7005 90; 93.4484; 90	7821.05	Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction. Chemical science, 2025, 16, 16101-16109
1575205	CIF	C126 H188 Cl4 K2 N6 O8 U2	P -1	11.6846; 15.7796; 18.592 103.309; 94.0723; 107.288	3149.13	Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction. Chemical science, 2025, 16, 16101-16109
1575206	CIF	C119.2 H187 K6 N6 O6.3	P 1 21/n 1	15.91762; 14.57188; 26.4106 90; 99.07; 90	6049.33	Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction. Chemical science, 2025, 16, 16101-16109
1575207	CIF	C92 H134 K N3 O9 U	P -1	13.394; 14.0175; 25.0941 89.5052; 75.245; 69.4982	4250.57	Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction. Chemical science, 2025, 16, 16101-16109
1575208	CIF	C122 H186 Cl3 K3 N6 O7 U2	I 1 a 1	22.70041; 22.5404; 26.0053 90; 111.315; 90	12396.1	Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction. Chemical science, 2025, 16, 16101-16109
1575209	CIF	C67 H102 N3 O5 U	P 1 21/n 1	28.4069; 15.1709; 30.045 90; 95.1738; 90	12895.4	Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction. Chemical science, 2025, 16, 16101-16109
1575210	CIF	C56 H79 N6 P Zn	P 1 21/c 1	21.026; 13.762; 21.097 90; 118.1; 90	5385	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575211	CIF	C53 H74 N4 P Zn	P -1	13.2792; 13.7788; 15.3972 70.153; 76.765; 79.146	2560.6	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575212	CIF	C56 H79 N4 P Zn	P 1 21/c 1	24.9688; 10.7308; 21.6707 90; 96.88; 90	5764.5	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575213	CIF	C88 H106 Au F6 N5 O4 P2 S2 Zn	P -1	13.2738; 16.5149; 19.8649 85.59; 86.806; 84.517	4316.8	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575214	CIF	C56 H79 N4 P Zn	P 1 21/c 1	14.9188; 17.12; 20.8807 90; 94.451; 90	5317.1	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575215	CIF	C58 H79 Ag F6 N5 O4 P S2 Zn	P -1	12.4129; 13.8443; 18.128 99.423; 91.21; 101.739	3004.2	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575216	CIF	C61 H86 N4 Ni P Zn	P -1	11.4773; 12.3292; 21.4352 98.574; 98.849; 105.039	2837.1	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575217	CIF	C57 H79 N4 O P Zn	P 1 21/c 1	21.0168; 13.7828; 20.9785 90; 118.003; 90	5365.4	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575218	CIF	C57 H79 N4 O2 P Zn	P 21 21 21	14.1786; 14.4517; 26.2054 90; 90; 90	5369.6	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575219	CIF	C70.5 H97 N8 P Zn	P 1 21/c 1	22.5888; 17.4697; 19.2725 90; 109.369; 90	7174.9	Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity. Chemical science, 2025, 16, 15462-15468
1575220	CIF	C56 H54 N2 O6 Si	P -1	8.9542; 14.7938; 20.8352 106.669; 93.269; 90.445	2638.8	Stoess, Lennart; Greb, Lutz What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid. Chemical science, 2025, 16, 15387-15395
1575221	CIF	C84.5 H111 Cl6 N2 O6 P Si	P -1	15.0843; 15.9059; 20.643 108.857; 95.289; 114.939	4096.6	Stoess, Lennart; Greb, Lutz What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid. Chemical science, 2025, 16, 15387-15395
1575222	CIF	C83.92 H81.84 Cl8.84 N2 O6 P Si	P 1 21/c 1	23.7594; 12.8395; 27.154 90; 101.651; 90	8112.9	Stoess, Lennart; Greb, Lutz What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid. Chemical science, 2025, 16, 15387-15395
1575223	CIF	C24 H16 Mn N4 S6	P -1	9.988; 10.1205; 13.3556 83.945; 83.632; 69.237	1251.38	Wang, Yanqi; Zhai, Longfei; Xiong, Wei-Wei Preparing an MnS@CN composite with lasagna-like nanostructure through pyrolysis of an organic hybrid manganese sulfide for electrochemical lithium storage. Nanoscale, 2025, 17, 18315-18324
1575224	CIF	C24 H43 Fe Mg O3.5 P5	P b c n	31.9024; 11.255; 16.6438 90; 90; 90	5976.15	Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes. Chemical science, 2025, 16, 15446-15454
1575225	CIF	C109 H150 Fe2 Mg2 N4 P12	P 1 21/c 1	14.4098; 21.064; 18.1097 90; 95.055; 90	5475.4	Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes. Chemical science, 2025, 16, 15446-15454
1575226	CIF	C44 H78 Ba Fe2 O6 P10	P c a 21	27.7184; 40.4538; 20.3254 90; 90; 90	22791.2	Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes. Chemical science, 2025, 16, 15446-15454
1575227	CIF	C66 H96 Fe2 Mg O5 P12	P 43 21 2	10.7346; 10.7346; 60.8 90; 90; 90	7006.08	Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes. Chemical science, 2025, 16, 15446-15454
1575228	CIF	C78 H120 Fe2 O8 P12 Sr2	P 1 21/n 1	10.7954; 20.3376; 19.5093 90; 90.312; 90	4283.25	Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes. Chemical science, 2025, 16, 15446-15454
1575229	CIF	C60 H108 Fe2 O10 P10 Sr2	P 1 21/n 1	12.3561; 15.515; 20.0866 90; 103.304; 90	3747.36	Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes. Chemical science, 2025, 16, 15446-15454
1575230	CIF	C38 H76 Fe2 Mg O8 P10	P 1 21/c 1	10.5512; 14.2205; 37.349 90; 95.224; 90	5580.7	Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes. Chemical science, 2025, 16, 15446-15454
1575231	CIF	C38 H28 N2 O8	P 1 21/n 1	7.8266; 15.0675; 24.1674 90; 97.197; 90	2827.54	Martínez-Visiedo, Joel; Ibáñez, Susana; Dawe, Louise N.; Peris, Eduardo A metallosupramolecular-based ring-in-ring complex showing reversible host-guest dynamics and switchable electrochemical properties. Nanoscale, 2025, 17, 20089-20095
1575232	CIF	C198 H216 Ir4 N22 O8	C 1 2/c 1	34.3083; 25.6152; 41.4962 90; 117.491; 90	32350	Martínez-Visiedo, Joel; Ibáñez, Susana; Dawe, Louise N.; Peris, Eduardo A metallosupramolecular-based ring-in-ring complex showing reversible host-guest dynamics and switchable electrochemical properties. Nanoscale, 2025, 17, 20089-20095
1575233	CIF	C50 H40 Cl2 N4 Ni2 O2 P2	P 1 21/n 1	15.2233; 11.5814; 25.9382 90; 99.271; 90	4513.4	Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S. Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions Catalysis Science & Technology, 2025, 15, 5275-5284
1575234	CIF	C28 H26 Cl5 N2 Ni O2 P	P -1	10.5132; 10.9249; 14.5672 107.373; 107.332; 95.323	1493.66	Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S. Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions Catalysis Science & Technology, 2025, 15, 5275-5284
1575235	CIF	C25 H21 N2 O2 P	P 21 21 21	9.2533; 14.3859; 15.5532 90; 90; 90	2070.4	Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S. Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions Catalysis Science & Technology, 2025, 15, 5275-5284
1575236	CIF	C66 H78 B3 F12 N3 O3	R -3 :H	27.228; 27.228; 15.692 90; 90; 120	10075	Wang, Hui; Sun, Chuanqi; Jia, Xu; Liu, Hui; Li, Cheng; Zhao, Yingjie Reversible transformation of single-crystal two-dimensional polymer framework for photo/thermal reversible photolithography. Chemical science, 2025, 16, 15734-15741
1575237	CIF	C19 H15 Br O	P 1 n 1	9.7011; 12.6871; 12.0065 90; 91.03; 90	1477.51	Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers. Chemical science, 2025, 16, 15964-15976
1575238	CIF	C17 H13 Br O	P 21 21 21	6.4748; 9.6162; 21.7688 90; 90; 90	1355.39	Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers. Chemical science, 2025, 16, 15964-15976
1575239	CIF	C22 H20 O3	P 1 21/c 1	7.2726; 34.397; 7.1925 90; 114.07; 90	1642.8	Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers. Chemical science, 2025, 16, 15964-15976
1575240	CIF	C46 H43 Br2 F12 O3 P Pd	P 1 21/n 1	13.1518; 19.2859; 18.429 90; 90.849; 90	4673.9	Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers. Chemical science, 2025, 16, 15964-15976
1575241	CIF	C31 H23 N5 Ni O7	P -1	10.0751; 13.7318; 14.6404 91.336; 107.416; 90.799	1931.6	Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage. Chemical science, 2025, 16, 15438-15445
1575242	CIF	C31 H27 N5 Ni O8	P -1	10.1; 13.535; 14.671 104.991; 109.272; 94.427	1799.5	Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage. Chemical science, 2025, 16, 15438-15445
1575243	CIF	C37 H27 N5 O7	P n a 21	12.0923; 11.969; 21.896 90; 90; 90	3169.1	Maharana, Prabhat Kumar; Muthuraja, Perumal; Kar, Subhradeep; Veerappan, Tamilthendral; Punniyamurthy, Tharmalingam Cascade C-H functionalization/annulation of arylamides: access to succinimide-tethered isoquinoline-1,3-diones. Chemical communications (Cambridge, England), 2025, 61, 13449-13452
1575244	CIF	C82 H72 N10 O17 S3	P -1	15.0035; 15.2445; 19.376 79.425; 72.534; 64.12	3796.3	Maharana, Prabhat Kumar; Muthuraja, Perumal; Kar, Subhradeep; Veerappan, Tamilthendral; Punniyamurthy, Tharmalingam Cascade C-H functionalization/annulation of arylamides: access to succinimide-tethered isoquinoline-1,3-diones. Chemical communications (Cambridge, England), 2025, 61, 13449-13452
1575245	CIF	C34 H21 N2 O5 Re	P 1 21/n 1	9.9934; 14.8953; 18.5528 90; 97.49; 90	2738.11	Kushwaha, Rajesh; Singh, Virendra; Koch, Biplob; Banerjee, Samya A bexarotene-attached Re(I) tricarbonyl complex for NADH oxidation and ROS-mediated cancer phototherapy. Chemical communications (Cambridge, England), 2025, 61, 12713-12716
1575246	CIF	C12 H10 Br2 N2 Pb	P 1 2/c 1	20.88; 4.1316; 17.4968 90; 114.092; 90	1377.93	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575247	CIF	C12 I2 N2 Pb	P 21 21 2	9.6885; 17.909; 4.336 90; 90; 90	752.35	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575248	CIF	C12 H10 I2 N2 Pb	P b c n	19.6147; 10.211; 7.2904 90; 90; 90	1460.16	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575249	CIF	C12 Br2 N2 Pb	C 1 2/m 1	12.1435; 14.3139; 4.1064 90; 91.303; 90	713.59	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575250	CIF	C12 H10 Cl2 N2 Pb	P -1	4.0476; 8.8861; 9.5086 74.107; 85.675; 81.7	325.25	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575251	CIF	C12 H10 I2 N2 Pb	C 1 2/m 1	12.8252; 14.2484; 4.2928 90; 90.172; 90	784.46	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575252	CIF	C12 Br2 N2 Pb	P n n m	8.8284; 18.8885; 4.1504 90; 90; 90	692.1	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575253	CIF	C12 I2 N2 Pb	P m c 21	4.366; 9.7804; 18.0733 90; 90; 90	771.75	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575254	CIF	C12 H10 Cl2 N2 Pb	C 1 2/c 1	3.9385; 28.0476; 11.9766 90; 97.269; 90	1312.37	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575255	CIF	C12 H10 I2 N2 Pb	C 1 2/m 1	11.995; 14.728; 4.3566 90; 95.427; 90	766.2	Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science, 2025, 16, 16004-16015
1575256	CIF	C120 H96 Cu8 F12 N8 P8	P 21 3	23.0137; 23.0137; 23.0137 90; 90; 90	12188.8	Lin, Yan-Yan; Luo, Jian; Dai, Bo-Wen; Yao, Jun-Fei; Xu, Liang-Jin; Lei, Zhen; Wei, Qiao-Hua Lantern-like Cu8 cluster for high-efficiency electrically driven light-emitting diodes. Dalton transactions (Cambridge, England : 2003), 2025, 54, 13483-13491
1575257	CIF	Na24 O180 U24	I 4/m	19.719; 19.719; 22.155 90; 90; 90	8614.7	Samarasiri, Vidumini S.; Rajapaksha, Harindu; McGee, Sarah; Mason, Sara E.; Forbes, Tori Z. Formation of U(VI) peroxide nanoclusters from cascade reactions with a persulfate radical initiator. Dalton transactions (Cambridge, England : 2003), 2025, 54, 13129-13142
1575258	CIF	C28 H31 N O11	P 1 21/c 1	10.507; 10.7999; 22.6843 90; 103.214; 90	2505.94	Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm, 2025, 27, 5901-5917
1575259	CIF	C90 H80 N2 O21 S	P 1 21/c 1	24.428; 13.7192; 22.38 90; 90.459; 90	7500	Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm, 2025, 27, 5901-5917
1575260	CIF	C28 H30 Cl N O9	P 1 21/n 1	8.3964; 28.9669; 11.1056 90; 103.121; 90	2630.56	Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm, 2025, 27, 5901-5917
1575261	CIF	C54 H39 Mn2 N5 O4 S2	P -1	12.8991; 13.3726; 14.7277 65.97; 89.366; 89.621	2320.12	Ikbal, Asik; Das, Gouri Sankar; Mehta, Sakshi; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Diyali, Nilankar; Mondal, Abhishake; Biswas, Bhaskar; Das, Hari Sankar N<sub>2</sub>O<sub>2</sub>S-donor redox-active ligand coordinated dinuclear manganese(II) and cobalt(II) complexes: crystal structures, magnetic properties and electrochemical hydrogen evolution. Dalton transactions (Cambridge, England : 2003), 2025, 54, 12447-12453
1575262	CIF	C58 H52 Co2 N6 O7 S2	P -1	12.725; 13.2973; 17.8496 101.053; 108.164; 108.19	2582.84	Ikbal, Asik; Das, Gouri Sankar; Mehta, Sakshi; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Diyali, Nilankar; Mondal, Abhishake; Biswas, Bhaskar; Das, Hari Sankar N<sub>2</sub>O<sub>2</sub>S-donor redox-active ligand coordinated dinuclear manganese(II) and cobalt(II) complexes: crystal structures, magnetic properties and electrochemical hydrogen evolution. Dalton transactions (Cambridge, England : 2003), 2025, 54, 12447-12453
1575263	CIF	C20 H21 N O4	P c a 21	17.72; 5.998; 33.06 90; 90; 90	3514	Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters. Chemical science, 2025, 16, 15546-15554
1575264	CIF	C20 H20 Br N O4	P 1 21/c 1	10.8941; 19.285; 9.3345 90; 106.773; 90	1877.7	Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters. Chemical science, 2025, 16, 15546-15554
1575265	CIF	C17 H16 N4	P 1 21 1	6.5089; 8.2692; 13.0732 90; 101.411; 90	689.74	Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M. Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure. Chemical science, 2025, 16, 18278-18285
1575266	CIF	C56 H60 Au Cl2 N4 O10	P -1	10.4502; 10.814; 12.2059 92.928; 108.465; 97.633	1290.38	Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M. Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure. Chemical science, 2025, 16, 18278-18285
1575267	CIF	C46 H48 Au F6 N4 O8 P	P -1	7.3204; 12.4682; 12.7462 83.405; 75.025; 89.663	1116.08	Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M. Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure. Chemical science, 2025, 16, 18278-18285
1575268	CIF	C210 H222 Au13 Cl9 F12 N18 O36 P2	P 1 21/n 1	22.7415; 27.9306; 36.9007 90; 101.763; 90	22946.5	Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M. Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure. Chemical science, 2025, 16, 18278-18285
1575269	CIF	C30 H69 B20 O2 P3	P 1 21/c 1	19.5502; 12.5616; 18.7554 90; 105.33; 90	4442.1	Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V. Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster. Chemical science, 2025, 16, 15997-16003
1575270	CIF	C30 H69 B20 Cl Cu O P3	P -1	10.3745; 10.5931; 21.3748 77.677; 84.292; 77.488	2236.93	Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V. Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster. Chemical science, 2025, 16, 15997-16003
1575271	CIF	C50 H81 B21 Cu P3	P -1	12.4794; 14.7895; 16.138 88.786; 72.01; 88.654	2831.79	Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V. Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster. Chemical science, 2025, 16, 15997-16003
1575272	CIF	C30 H67 B20 Cu N5 P3	P -1	10.3603; 11.3077; 20.9212 79.915; 84.143; 74.576	2322.2	Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V. Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster. Chemical science, 2025, 16, 15997-16003
1575273	CIF	C32 H70 B20 Cl Cu N3 P3	P 1 21/c 1	11.325; 41.3884; 10.463 90; 102.191; 90	4793.7	Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V. Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster. Chemical science, 2025, 16, 15997-16003
1575274	CIF	C60 H60 B N3	P 1 21/c 1	15.8245; 9.6398; 32.533 90; 101.82; 90	4857.5	Chen, Yi-Kuan; Lei, Jian; Chao, Yu-Chieh; Kung, Yu-Cheng; Hung, Wen-Yi; Hsu, Liang-Yan; Wu, Tien-Lin Strategic azepine engineering realizes highly efficient and stable blue narrowband light-emitting diodes. Materials horizons, 2025, 12, 9737-9748
1575275	CIF	C72 H58 B D10 N3	P b c a	11.4583; 29.8119; 32.0343 90; 90; 90	10942.7	Chen, Yi-Kuan; Lei, Jian; Chao, Yu-Chieh; Kung, Yu-Cheng; Hung, Wen-Yi; Hsu, Liang-Yan; Wu, Tien-Lin Strategic azepine engineering realizes highly efficient and stable blue narrowband light-emitting diodes. Materials horizons, 2025, 12, 9737-9748
1575276	CIF	C72 H68 B N3	P b c a	11.46318; 29.88427; 32.1321 90; 90; 90	11007.5	Chen, Yi-Kuan; Lei, Jian; Chao, Yu-Chieh; Kung, Yu-Cheng; Hung, Wen-Yi; Hsu, Liang-Yan; Wu, Tien-Lin Strategic azepine engineering realizes highly efficient and stable blue narrowband light-emitting diodes. Materials horizons, 2025, 12, 9737-9748
1575277	CIF	C70 H66 N6 O16 Zn2	P -1	11.013; 15.456; 18.53 86.382; 89.951; 79.749	3097.4	Chanda, Alokananda; Mandal, Sanjay K. Synthesis of metal–organic rectangles decorated with primary amide groups for the synergistic Lewis acid and Brønsted base heterogeneous catalysis Catalysis Science & Technology, 2025, 15, 6379-6390
1575278	CIF	C70 H66 Cd2 N6 O14	P -1	11.0764; 15.4916; 18.8224 86.924; 89.289; 80.435	3180.2	Chanda, Alokananda; Mandal, Sanjay K. Synthesis of metal–organic rectangles decorated with primary amide groups for the synergistic Lewis acid and Brønsted base heterogeneous catalysis Catalysis Science & Technology, 2025, 15, 6379-6390
1575279	CIF	C28 H20 S4	P -1	5.2197; 8.8113; 11.4168 88.594; 77.55; 86.718	511.86	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575280	CIF	C28 H20 O4	P 1 21/n 1	10.8606; 12.9849; 13.7224 90; 103.074; 90	1885.02	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575281	CIF	C28 H20 O4	P 1 21/n 1	10.9191; 13.1598; 13.7566 90; 102.816; 90	1927.48	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575282	CIF	C26 H20 O4	P 1 21/n 1	9.7178; 10.8952; 17.343 90; 91.835; 90	1835.3	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575283	CIF	C26 H20 O4	P 1 21/n 1	9.6782; 10.8375; 17.2665 90; 92.011; 90	1809.92	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575284	CIF	C26 H20 S4	P -1	5.101; 9.1362; 11.3735 89.639; 77.413; 87.365	516.758	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575285	CIF	C26 H20 O4	P -1	10.9983; 18.9426; 19.1861 86.1432; 75.6762; 79.232	3803.78	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575286	CIF	C26 H20 O4	P -1	10.9472; 18.8237; 19.0718 85.8795; 75.9202; 79.808	3750.14	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575287	CIF	C28 H20 S4	P -1	5.2372; 8.8932; 11.4399 88.844; 77.845; 86.23	519.74	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575288	CIF	C28 H20 S4	P -1	5.2396; 8.8512; 11.4251 88.761; 77.638; 86.513	516.6	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575289	CIF	C28 H20 O4	P 1 21/n 1	10.8892; 13.0557; 13.7463 90; 102.879; 90	1905.09	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575290	CIF	C26 H20 O4	P 1 21/n 1	9.768; 10.9262; 17.4458 90; 91.678; 90	1861.14	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575291	CIF	C26 H20 S4	P -1	5.0737; 9.0307; 11.309 89.351; 77.263; 87.865	505.06	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575292	CIF	C26 H20 S4	P -1	5.0914; 9.0718; 11.3386 89.469; 77.308; 87.639	510.479	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575293	CIF	C26 H20 O4	P -1	10.8935; 18.743; 18.9847 85.8831; 76.1584; 79.9947	3704.58	Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene. Chemical science, 2025, 16, 15368-15377
1575294	CIF	C22 H18 Cl3 N O S Ti	P 1 21/n 1	23.9688; 8.5432; 30.1063 90; 113.366; 90	5659.3	Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang The side-arm-effect controlled stereodivergent polymerization of 1-butene Polymer Chemistry, 2025, 16, 3675-3682
1575295	CIF	C23 H21 Cl3 N2 O Ti	P -1	8.607; 9.769; 14.479 99.66; 99.136; 105.067	1132.4	Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang The side-arm-effect controlled stereodivergent polymerization of 1-butene Polymer Chemistry, 2025, 16, 3675-3682
1575296	CIF	C11.5 H9 Cl1.5 N0.5 O Ti0.5	P -1	9.883; 11.2698; 14.447 105.467; 94.575; 115.251	1367.63	Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang The side-arm-effect controlled stereodivergent polymerization of 1-butene Polymer Chemistry, 2025, 16, 3675-3682
1575297	CIF	C27.5 H21 Cl3 N2 O Ti	P -1	9.7237; 11.7183; 14.3455 108.652; 109.153; 92.134	1444.45	Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang The side-arm-effect controlled stereodivergent polymerization of 1-butene Polymer Chemistry, 2025, 16, 3675-3682
1575298	CIF	C54 H74 D6 Ga2 N2 P2	P 1 21/n 1	13.2842; 14.0429; 13.797 90; 93.272; 90	2569.6	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575299	CIF	C75 H90 Ga2 N2 P2	P -1	12.0391; 12.1205; 22.5729 91.413; 96.822; 96.004	3250.28	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575300	CIF	C70 H86 Ga2 N2 P2	P c a 21	14.0253; 16.5037; 26.1487 90; 90; 90	6052.62	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575301	CIF	C34 H41 Ga N P	P -1	9.8258; 10.6897; 15.1671 80.922; 76.755; 75.256	1491.24	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575302	CIF	C60 H47 B F22 Ga N P	P 1 21/n 1	15.0973; 23.9872; 17.0383 90; 116.108; 90	5540.7	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575303	CIF	C52 H41 B F15 Ga N P	P 1 21/c 1	14.3929; 14.7735; 21.6915 90; 92.238; 90	4608.8	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575304	CIF	C108 H84 B2 F42 Ga2 N2 P2	P 1 21/c 1	13.8266; 24.9376; 16.2676 90; 111.413; 90	5221.9	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575305	CIF	C56 H78 D6 Ga2 N2 P2	P n a 21	28.6854; 8.599; 21.4708 90; 90; 90	5296.1	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575306	CIF	C45 H40 B F15 Ga N P	P b c a	15.4213; 17.247; 31.7812 90; 90; 90	8452.9	Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J. Reversible addition of ethene to gallium(i) monomers and dimers. Chemical science, 2025, 16, 13333-13344
1575307	CIF	C30 H28 Cu N10 O8	P 1 21/c 1	13.043; 12.8084; 9.2763 90; 103.57; 90	1506.44	Shekhawat, Bhawana; Ahamed, Subuhan; Gahlaut, Puneet Singh; Ghosh, Saurav; Gautam, Deepak; Mondal, Kartik Chandra; Jana, Barun Developing highly active Cu(ii)-triazolyl-pyridine complexes for C–H functionalization of 9H-fluorene and indole via a borrowing hydrogen strategy Catalysis Science & Technology, 2025, 15, 6001-6010
1575308	CIF	C19 H23 N O2	P 21 21 21	5.83723; 11.91509; 23.6848 90; 90; 90	1647.3	Ali, Siraj Z.; Manno, Nicolás A; Shen, Jeff; Schenker, Alessia; Lipshultz, Jeffrey M.; White, Nicholas A.; Radosevich, Alexander T. Nitrilation of carboxylic acids by P<sup>III</sup>/P<sup>V</sup>-catalysis. Chemical science, 2025, 16, 16145-16150
1575309	CIF	C33 H25 N O2	P -1	10.405; 11.265; 11.901 103.318; 104.698; 109.45	1194.1	Bera, Satyajit; Bhunia, Supriya; Dolai, Anirban; Box, Sk Majid; Das, Arpan; Samanta, Subhas Arylpyrrolylidene-indanones as readily synthesised photoswitches offering dual- and single-colour fluorescence toggling with nearly quantitative <i>E</i>/<i>Z</i> isomerisation under visible light. Chemical science, 2025, 16, 16196-16204
1575310	CIF	C36 H36 Cu6 N6 S6	R -3 :H	12.5474; 12.5474; 21.7649 90; 90; 120	2967.53	Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito Multinuclear Cu <sub><i>n</i></sub> S <sub><i>m</i></sub> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink. Chemical science, 2025, 16, 16751-16756
1575311	CIF	C36 H36 Cu6 N6 S6	C 1 2/c 1	22.1291; 9.5391; 18.9461 90; 94.215; 90	3988.55	Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito Multinuclear Cu <sub><i>n</i></sub> S <sub><i>m</i></sub> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink. Chemical science, 2025, 16, 16751-16756
1575312	CIF	C21 H18 F3 N O3	C 1 2 1	20.1984; 6.0121; 29.4619 90; 92.317; 90	3574.8	Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity. Chemical science, 2025, 16, 16250-16258
1575313	CIF	C33 H27 N O4	P 21 21 21	10.5121; 12.4941; 20.0428 90; 90; 90	2632.4	Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity. Chemical science, 2025, 16, 16250-16258
1575314	CIF	C22 H24 Cl F6 N3 O4 P Pd0.5 S2	P 1 21/n 1	18.0287; 8.6686; 19.3834 90; 115.664; 90	2730.5	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
1575315	CIF	C38 H33 B O2 S	P -1	12.1313; 13.8706; 18.5739 88.012; 77.103; 78.727	2987.65	Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke Achieving high efficiency ultrapure violet OLEDs with a CIE <sub><i>y</i></sub> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur. Chemical science, 2025, 16, 16304-16313
1575316	CIF	C38 H33 B O2 S	P 1 21/n 1	12.9176; 18.834; 13.4181 90; 115.122; 90	2955.7	Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke Achieving high efficiency ultrapure violet OLEDs with a CIE <sub><i>y</i></sub> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur. Chemical science, 2025, 16, 16304-16313
1575317	CIF	C12 H28 Br6 N2 Sn	C 1 2/m 1	20.8427; 7.5744; 7.1881 90; 97.696; 90	1124.57	Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides. Materials horizons, 2025, 12, 9106-9113
1575318	CIF	C6 H14 Br3 N Sn	P 1 21/n 1	9.8482; 8.2935; 15.0756 90; 102.233; 90	1203.36	Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides. Materials horizons, 2025, 12, 9106-9113
1575319	CIF	C12 H28 Br6 N2 Sn	C 1 2 1	20.8576; 7.5452; 7.1743 90; 97.556; 90	1119.25	Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides. Materials horizons, 2025, 12, 9106-9113
1575320	CIF	C12 H28 Br4 N2 Sn	P 21 21 21	6.3412; 12.0486; 25.9872 90; 90; 90	1985.49	Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides. Materials horizons, 2025, 12, 9106-9113
1575321	CIF	C12 H28 Br6 N2 Sn	C 1 2 1	20.8205; 7.5406; 7.167 90; 97.444; 90	1115.73	Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides. Materials horizons, 2025, 12, 9106-9113
1575322	CIF	C12 H28 Br4 N2 Sn	P 21 21 21	6.3457; 12.0368; 25.9787 90; 90; 90	1984.3	Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides. Materials horizons, 2025, 12, 9106-9113
1575323	CIF	C13 H12 N2 O5 S	C 1 c 1	5.171; 12.9028; 19.7324 90; 94.42; 90	1312.64	Oblazny, Mark; Hamaker, Christhoper G. Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives Crystals, 2025, 15, 673
1575324	CIF	C13 H12 N2 O5 S	P 1 21/c 1	20.5686; 5.1731; 13.0803 90; 107.76; 90	1325.46	Oblazny, Mark; Hamaker, Christhoper G. Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives Crystals, 2025, 15, 673
1575325	CIF	C13 H12 N2 O5 S	P 1 21/c 1	12.0195; 7.2684; 15.0297 90; 91.529; 90	1312.57	Oblazny, Mark; Hamaker, Christhoper G. Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives Crystals, 2025, 15, 673
1575326	CIF	C19 H26 Cu N2 O4	C 1 2/c 1	10.9402; 12.2115; 15.0631 90; 107.479; 90	1919.46	Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690
1575327	CIF	C37 H43 Cl15 Cu2 N2 O8	P -1	9.1804; 11.2336; 13.2041 78.857; 86.404; 86.933	1332.2	Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690
1575328	CIF	C22 H24 Cu N2 O4	P -1	8.2115; 8.6888; 8.7538 69.733; 62.251; 76.494	516.55	Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690
1575329	CIF	C15 H18 Br Cu N O4	P -1	8.6807; 10.2923; 11.4344 112.053; 110.583; 96.89	848.22	Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690