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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1566781	CIF	C80 H126 Na6 Ni2 O6	C 1 2/c 1	21.45144; 17.82545; 22.25202 90; 109.731; 90	8009.22	Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M. Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand Chemical Science, 2022
1566782	CIF	C188.19 H213.43 N59.05 Ni6 O59.05	R -3 :H	45.98; 45.98; 9.5196 90; 90; 120	17429.6	Cui, Mengxing; Murase, Ryuichi; Shen, Yongbing; Sato, Tetsu; Koyama, Shohei; Uchida, Kaiji; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki An electrically conductive metallocycle: densely packed molecular hexagons with π-stacked radicals Chemical Science, 2022
1566783	CIF	C26 H35 N5 O2	P 1 21/c 1	10.3083; 24.752; 10.4153 90; 108.265; 90	2523.58	Liu, Hong-Chao; Kong, Xiangtao; Gong, Xiao-Ping; Li, Yuke; Niu, Zhi-Jie; Gou, Xue-Ya; Li, Xue-Song; Wang, Yu-Zhao; Shi, Wei-Yu; Huang, Yan-Chong; Liu, Xue-Yuan; Liang, Yong-Min Site-Selective Coupling of Remote C(sp3)−H/meta-C(sp2)−H Bonds Enabled by Ru/Photoredox Dual Catalysis and Mechanistic Studies Chemical Science, 2022
1566784	CIF	C20 H26 Br N3 O	P 1 21/c 1	6.36816; 31.0073; 10.01092 90; 97.3165; 90	1960.66	Liu, Hong-Chao; Kong, Xiangtao; Gong, Xiao-Ping; Li, Yuke; Niu, Zhi-Jie; Gou, Xue-Ya; Li, Xue-Song; Wang, Yu-Zhao; Shi, Wei-Yu; Huang, Yan-Chong; Liu, Xue-Yuan; Liang, Yong-Min Site-Selective Coupling of Remote C(sp3)−H/meta-C(sp2)−H Bonds Enabled by Ru/Photoredox Dual Catalysis and Mechanistic Studies Chemical Science, 2022
1566785	CIF	C22 H30 N2 O2	P 1 21/c 1	19.4831; 10.88; 9.8987 90; 99.028; 90	2072.29	Liu, Hong-Chao; Kong, Xiangtao; Gong, Xiao-Ping; Li, Yuke; Niu, Zhi-Jie; Gou, Xue-Ya; Li, Xue-Song; Wang, Yu-Zhao; Shi, Wei-Yu; Huang, Yan-Chong; Liu, Xue-Yuan; Liang, Yong-Min Site-Selective Coupling of Remote C(sp3)−H/meta-C(sp2)−H Bonds Enabled by Ru/Photoredox Dual Catalysis and Mechanistic Studies Chemical Science, 2022
1566786	CIF	O S6 Sn2 Sr2 Zn	P -4 21 m	9.664; 9.664; 6.33 90; 90; 90	591.177	Cheng, Yansong; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng Rational Design of a Promising Oxychalcogenide Infrared Nonlinear Optical Crystal Chemical Science, 2022
1566787	CIF	C82 H82 Si2	C 1 2/c 1	39.1632; 5.9464; 27.7746 90; 96.8606; 90	6421.8	Ringström, Rasmus; Edhborg, Fredrik; Schroeder, Zachary W.; Chen, Lan; Ferguson, Michael J.; Tykwinski, Rik R.; Albinsson, Bo Molecular rotational conformation controls the rate of singlet fission and triplet decay in pentacene dimers Chemical Science, 2022
1566788	CIF	C106 H126 Cl4 Si4	P 1 21/c 1	8.3982; 34.669; 16.6828 90; 90.028; 90	4857.3	Ringström, Rasmus; Edhborg, Fredrik; Schroeder, Zachary W.; Chen, Lan; Ferguson, Michael J.; Tykwinski, Rik R.; Albinsson, Bo Molecular rotational conformation controls the rate of singlet fission and triplet decay in pentacene dimers Chemical Science, 2022
1566789	CIF	C106.65 H135.3 Cl1.3 Si4	P 1 21/c 1	8.0655; 14.6582; 41.104 90; 91.616; 90	4857.6	Ringström, Rasmus; Edhborg, Fredrik; Schroeder, Zachary W.; Chen, Lan; Ferguson, Michael J.; Tykwinski, Rik R.; Albinsson, Bo Molecular rotational conformation controls the rate of singlet fission and triplet decay in pentacene dimers Chemical Science, 2022
1566790	CIF HKL Paper	C26 H13 F8 I4 N3	P -1	9.1574; 12.0339; 14.0667 91.989; 96.924; 102.996	1496.35	Bosch, Eric; Bowling, Nathan P. 5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/2) IUCrData, 2022, 7, x220380
1566791	CIF	C38 H63 In N2 O3	P -1	11.4082; 13.035; 14.939 66.497; 68.941; 83.213	1900.3	Bruckmoser, Jonas; Henschel, Daniel; Vagin, Sergei; Rieger, Bernhard Combining high activity with broad monomer scope: indium salan catalysts in the ring-opening polymerization of various cyclic esters Catalysis Science & Technology, 2022, 12, 3295-3302
1566792	CIF	C20 H17 N S	P 1	8.3698; 8.6024; 11.6963 103.438; 103.111; 102.977	762.79	Yan, Qiaolin; Duan, Meng; Chen, Cien; Deng, Zhiqin; Wu, Mandi; Yu, Peiyuan; He, Ming-Liang; Zhu, Guangyu; Houk, Kendall N.; Sun, Jianwei Organocatalytic Discrimination of Non-Directing Aryl and Heteroaryl Groups: Enantioselective Synthesis of Bioactive Indole-Containing Triarylmethanes Chemical Science, 2022
1566793	CIF	C20 H17 N S	P 1	8.4366; 8.5299; 11.8199 103.482; 103.756; 102.858	767.86	Yan, Qiaolin; Duan, Meng; Chen, Cien; Deng, Zhiqin; Wu, Mandi; Yu, Peiyuan; He, Ming-Liang; Zhu, Guangyu; Houk, Kendall N.; Sun, Jianwei Organocatalytic Discrimination of Non-Directing Aryl and Heteroaryl Groups: Enantioselective Synthesis of Bioactive Indole-Containing Triarylmethanes Chemical Science, 2022
1566794	CIF	C14 H12 F6 O	P 21 21 21	5.8199; 11.7062; 18.082 90; 90; 90	1231.9	Sathe, Devavrat; Zhou, Junfeng; Chen, Hanlin; Schrage, Briana R.; Yoon, Seiyoung; Wang, Zeyu; Ziegler, Christopher J.; Wang, Junpeng Depolymerizable semi-fluorinated polymers for sustainable functional materials Polymer Chemistry, 2022, 13, 2608-2614
1566795	CIF	C155 H119 Er2 N16 O21 Pr	P -1	16.3636; 19.5224; 23.3873 108.669; 108.321; 92.112	6640.37	Aromi, Guillem; Maniaki, Diamantoula; Garay-Ruiz, Diego; Barrios, Leoní A.; Aguilà, David; Reta, Daniel; Roubeau, Olivier; Bo, Carles; Tuna, Floriana; Martins, Daniel O. T. A. Unparalleled selectivity and electronic structure of heterometallic [LnLn’Ln] molecules as 3-qubit quantum gates Chemical Science, 2022
1566796	CIF	C463 H730 N26 O239 P8 V52	P -1	26.268; 27.835; 30.643 87.768; 71.483; 69.654	19855	Guo, Ji; Liu, Junrui; Cui, Yingcui; Liu, Chuanhong; Wang, Yangming; Wang, Mou; Huang, Danmeng; Chen, Guanying; Wang, Wei; Xia, Debin; Fang, Xikui Timing matters: pre-assembly versus post-assembly functionalization of a polyoxovanadate–organic cuboid Chemical Science, 2022
1566797	CIF	C423 H697 N33 O273 S8 V54	P -1	20.5891; 28.609; 33.168 113.872; 92.142; 103.627	17168	Guo, Ji; Liu, Junrui; Cui, Yingcui; Liu, Chuanhong; Wang, Yangming; Wang, Mou; Huang, Danmeng; Chen, Guanying; Wang, Wei; Xia, Debin; Fang, Xikui Timing matters: pre-assembly versus post-assembly functionalization of a polyoxovanadate–organic cuboid Chemical Science, 2022
1566798	CIF	C462 H719 N29 O236 P8 S0 V48	C 1 2/c 1	45.21; 27.4006; 55.215 90; 113.919; 90	62525	Guo, Ji; Liu, Junrui; Cui, Yingcui; Liu, Chuanhong; Wang, Yangming; Wang, Mou; Huang, Danmeng; Chen, Guanying; Wang, Wei; Xia, Debin; Fang, Xikui Timing matters: pre-assembly versus post-assembly functionalization of a polyoxovanadate–organic cuboid Chemical Science, 2022
1566799	CIF	C61 H75 N4 Y2	P -1	10.5717; 11.0365; 12.4271 67.8112; 87.4492; 79.2874	1318.6	Benner, Florian; Demir, Selvan Isolation of the elusive bisbenzimidazole Bbim3−˙ radical anion and its employment in a metal complex Chemical Science, 2022
1566800	CIF	C84 H128 K N6 O9 Y2	P -1	13.03; 18.0681; 18.371 86.907; 78.05; 76.349	4111.72	Benner, Florian; Demir, Selvan Isolation of the elusive bisbenzimidazole Bbim3−˙ radical anion and its employment in a metal complex Chemical Science, 2022
1566801	CIF	C21 H19 N3	P 1 21/c 1	15.2933; 5.6759; 18.003 90; 99.217; 90	1542.5	Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole Chemical Science, 2022
1566802	CIF	C16 H12 N2 S	P 1 21/c 1	6.1282; 14.1422; 14.4603 90; 95.255; 90	1247.95	Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole Chemical Science, 2022
1566803	CIF	C2.44 H2.44 N0.44 O0.11	P -1	7.9957; 10.4307; 12.5078 67.727; 89.073; 71.4	908.36	Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole Chemical Science, 2022
1566804	CIF	C17 H13 N3	P 1 21/n 1	10.9333; 7.34; 16.2518 90; 98.655; 90	1289.36	Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole Chemical Science, 2022
1566805	CIF	C23 H17 N3	P 1 21/n 1	11.8246; 8.7668; 16.2183 90; 90.457; 90	1681.2	Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole Chemical Science, 2022
1566806	CIF	C19 H19 N O6	P 21 21 21	8.7619; 9.0395; 21.2088 90; 90; 90	1679.8	Zhang, Fangqing; Ren, Bing-Tao; Zhou, Yuqiao; Liu, Yangbin; Feng, Xiaoming Enantioselective Construction of cis-Hydroindole Scaffolds via Asymmetric Inverse-Electron-Demand Diels–Alder Reaction: Application to the Formal Total Synthesis of (+)-Minovincine Chemical Science, 2022
1566807	CIF	C10 H9 B N2	P 1 21/c 1	8.8712; 11.4894; 9.7181 90; 114.973; 90	897.91	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566808	CIF	C21 H15 B N4	P -1	9.6002; 9.8523; 10.4405 112.05; 100.947; 100.116	864.9	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566809	CIF	C22 H17 B Cl2 N4	P -1	7.6707; 8.6999; 15.3408 95.995; 100.572; 91.45	999.84	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566810	CIF	C22 H17 B N4 O	P -1	9.6949; 9.9989; 10.3454 74.22; 68.3124; 89.2819	892.41	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566811	CIF	C15 H11 B N4	P c a 21	15.4138; 5.2751; 15.4456 90; 90; 90	1255.87	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566812	CIF	C22 H17 B N4	P 1 21/n 1	7.1974; 14.8004; 16.7357 90; 100.303; 90	1754.01	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566813	CIF	C23 H19 B N4 O2	P 1 21/n 1	11.0625; 11.3405; 15.4611 90; 94.428; 90	1933.87	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566814	CIF	C24 H14 B F6 N3 O4	P 1 21/c 1	11.8628; 19.2303; 11.1122 90; 114.593; 90	2305.02	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566815	CIF	C20 H14 B Cl3 N4 S	P -1	9.5849; 9.6966; 12.5042 102.614; 92.073; 115.981	1007.91	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566816	CIF	C20 H16 B N3	P 1 21/c 1	6.7975; 8.0452; 29.5872 90; 95.797; 90	1609.77	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566817	CIF	C22 H14 B F3 N4	P -1	8.8691; 9.7159; 11.5592 87.751; 85.002; 66.221	908.04	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566818	CIF	C34 H30 B2 N8 O2	P b c a	15.0807; 9.7071; 19.4956 90; 90; 90	2853.96	Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022
1566819	CIF	C30 H25 F6 N S Sb	C 1 2/c 1	15.8665; 24.95; 16.2233 90; 99.104; 90	6341.4	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566820	CIF	C48 H45 N S	P 1 21/n 1	16.8923; 13.2924; 17.9856 90; 113.172; 90	3712.68	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566821	CIF	C31 H27 Cl2 N S	P 1 21/n 1	11.1803; 7.7394; 30.7513 90; 99.961; 90	2620.76	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566822	CIF	C52 H47 N S	R -3 :H	36.5917; 36.5917; 17.7385 90; 90; 120	20569	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566823	CIF	C74 H69 N S	P -1	7.169; 17.2492; 25.1684 106.66; 90.552; 96.116	2962.06	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566824	CIF	C11 H10 O S	P 1	7.0221; 7.9102; 9.5017 106.659; 105.234; 101.17	466.74	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566825	CIF	C26 H23 N S	P c c n	23.8497; 21.8615; 7.9142 90; 90; 90	4126.4	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566826	CIF	C18 H16 O2 S	P b c n	19.5758; 8.4512; 18.7056 90; 90; 90	3094.64	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566827	CIF	C18 H10 F6 O6 S3	P -1	8.4229; 10.6178; 12.2594 100.265; 102.985; 94.205	1043.88	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566828	CIF	C13 H11.5 F3 N0.5 S0.5 Sb0.5	C 1 2/m 1	27.184; 6.8384; 19.415 90; 133.036; 90	2638	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines Chemical Science, 2022
1566829	CIF	C18 H20 B10	P -1	7.1379; 19.799; 27.542 110.801; 90.566; 90.757	3637.9	Ji, Lei; Riese, Stefan; Schmiedel, Alexander; Holzapfel, Marco; Fest, Maximillian; Nitsch, Jörn; Curchod, Basile F. E.; Friedrich, Alexandra; Wu, Lin; Al Mamari, Hamad H.; Hammer, Sebastian; Pflaum, Jens; Fox, Mark A.; Tozer, David J.; Finze, Maik; Lambert, Christoph; Marder, Todd B. Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2′-yl)-o-carborane Chemical Science, 2022
1566830	CIF	C24 H37 F6 N2 O P Ru	P -1	9.637; 9.944; 27.528 95.325; 97.691; 96.476	2582	Sumitani, Ryo; Yamanaka, Masamichi; Mochida, Tomoyuki On-demand gelation of ionic liquids using photoresponsive organometallic gelators. Soft matter, 2022, 18, 3479-3486
1566831	CIF	C36 H24 N3 P S4	P 1 21 1	9.351; 14.475; 12.042 90; 111.149; 90	1520.2	Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P. Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides Chemical Science, 2022
1566832	CIF	C36 H24 N3 O P S3	C 1 2/c 1	27.1703; 14.9942; 17.8873 90; 111.203; 90	6793.9	Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P. Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides Chemical Science, 2022
1566833	CIF	C36 H24 N3 P0.5 S4 Se	P 1 21 1	9.3508; 14.3508; 11.9256 90; 111.396; 90	1490.02	Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P. Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides Chemical Science, 2022
1566834	CIF	C9 H11 N O3	P 1 21 1	7.6764; 5.887; 9.6143 90; 94.575; 90	433.1	Smalley, Christopher J. H.; Hoskyns, Harriet E.; Hughes, Colan E.; Johnstone, Duncan N.; Willhammar, Tom; Young, Mark T.; Pickard, Christopher J.; Logsdail, Andrew J.; Midgley, Paul A.; Harris, Kenneth D. M. A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l-tyrosine Chemical Science, 2022
1566835	CIF	C18 H15 N3	P 1 21/c 1	13.5606; 14.1429; 7.6056 90; 93.62; 90	1455.7	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566836	CIF	C23 H19 N3	P -1	7.4368; 11.5205; 11.7843 107.748; 101.471; 103.216	895.98	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566837	CIF	C22 H17 N3	P -1	7.5636; 10.607; 11.488 104.037; 99.019; 104.02	844.45	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566838	CIF	C24 H21 N3	P 1 21/c 1	10.9544; 15.459; 12.2647 90; 113.683; 90	1902	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566839	CIF	C27 H19 N3	P 1 21/n 1	7.4603; 14.026; 19.2722 90; 98.736; 90	1993.2	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566840	CIF	C35 H23 N3	P 1 21/c 1	9.7978; 27.007; 10.7502 90; 116.236; 90	2551.6	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566841	CIF	C38 H25 Cl2 N3	P 1 21/c 1	11.6662; 23.9537; 12.582 90; 115.611; 90	3170.6	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566842	CIF	C26 H25 N3	P b c n	19.753; 10.6344; 20.535 90; 90; 90	4313.6	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566843	CIF	C29 H23 N3 S2	P 1 21/n 1	17.7692; 7.587; 17.8377 90; 91.248; 90	2404.2	Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives Chemical Science, 2022
1566844	CIF	C16 H11 N O2	C m c 21	14.732; 10.702; 7.661 90; 90; 90	1207.8	Owatari, Yoshihiro; Iseki, Shuta; Ogata, Daiji; Yuasa, Junpei Catalytic electron drives host–guest recognition Chemical Science, 2022
1566845	CIF	C117 H190 Br6 Mg6 N8 O6	P 1 21 1	19.2717; 16.1154; 19.692 90; 93.454; 90	6104.66	Monasterolo, Claudio; O'Gara, Ryan; Kavanagh, Saranna; Byrne, Sadbh Elise; Bieszczad, Bartosz; Murray, Orla; Wiesinger, Michael; Lynch, Rebecca; Nikitin, Kirill; Gilheany, Declan Gerard Asymmetric addition of Grignard reagents to ketones: culmination of the ligand-mediated methodology allows modular construction of chiral tertiary alcohols Chemical Science, 2022
1566846	CIF	C20 H23 Br2 N O2	P 1 21 1	15.0842; 18.1183; 15.8577 90; 109.235; 90	4091.96	Monasterolo, Claudio; O'Gara, Ryan; Kavanagh, Saranna; Byrne, Sadbh Elise; Bieszczad, Bartosz; Murray, Orla; Wiesinger, Michael; Lynch, Rebecca; Nikitin, Kirill; Gilheany, Declan Gerard Asymmetric addition of Grignard reagents to ketones: culmination of the ligand-mediated methodology allows modular construction of chiral tertiary alcohols Chemical Science, 2022
1566847	CIF	C15 H21 N O2	P 1 21/n 1	9.7766; 13.914; 21.1903 90; 97.758; 90	2856.17	Guan, Zhipeng; Zhong, Xingxing; Ye, Yayu; Li, Xiangwei; Cong, Hengjiang; Yi, Hong; Zhang, Heng; Huang, Zhiliang; Lei, Aiwen Selective Radical Cascade (4+2) Annulation with Olefins towards the Synthesis of Chroman Derivatives via Organo-Photoredox Catalysis Chemical Science, 2022
1566848	CIF HKL Paper	C15 H11 N O3 S	P 1 21/c 1	12.6886; 9.2655; 11.6024 90; 105.374; 90	1315.24	Pineda, Leslie W.; Ferllini, Natasha; Cabezas, Jorge A. 1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde IUCrData, 2022, 7, x220401
1566849	CIF HKL Paper	C50 H38 Mn N5 O3	P c c n	20.1021; 21.5505; 17.9807 90; 90; 90	7789.4	Cao, Hongli; Wang, Junwen; Li, Jianfeng Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1) IUCrData, 2022, 7, x220386
1566850	CIF	C3 H18 Al F9 O18 S3	P 21 21 21	6.4503; 15.415; 22.904 90; 90; 90	2277.38	Pastel, Glenn R.; Chen, Ying; Pollard, Travis P.; Schroeder, Marshall A.; Bowden, Mark E.; Zheng, Allen; Hahn, Nathan T.; Ma, Lin; Murugesan, Vijayakumar; Ho, Janet; Garaga, Mounesha; Borodin, Oleg; Mueller, Karl; Greenbaum, Steven; Xu, Kang A sobering examination of the feasibility of aqueous aluminum batteries Energy & Environmental Science, 2022, 15, 2460-2469
1566851	CIF	C14 H17 N2 O P	P 21 21 21	7.2488; 10.7508; 17.638 90; 90; 90	1374.5	Zhang, Ying; Yuan, Jia; Huang, Guanglong; Yu, Hong; Liu, Jinpeng; Chen, Jian; Meng, Sixuan; Zhong, Jian-Ji; Dang, Li; Yu, Guang-Ao; Che, Chi-Ming Direct visible-light-induced synthesis of P-stereogenic phosphine oxides under air conditions. Chemical science, 2022, 13, 6519-6524
1566852	CIF	C18 H35 Cl N2 O P2	P 1 21 1	10.2116; 22.6532; 10.5288 90; 114.869; 90	2209.74	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566853	CIF	C27 H48 I N3 O P2	P 21 21 21	11.3375; 16.044; 17.0248 90; 90; 90	3096.79	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566854	CIF	C28 H50 I N3 O P2	P 21 21 21	11.2847; 16.6693; 16.9948 90; 90; 90	3196.86	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566855	CIF	C18 H36 N2 O2 P2	P 1	10.1507; 10.483; 12.0198 71.0631; 77.4831; 65.8533	1098.71	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566856	CIF	C28 H52 N2 O2 P2	P 21 21 21	9.9457; 13.5082; 22.3174 90; 90; 90	2998.31	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566857	CIF	C27 H47 N3 O P2	P 1	9.5345; 11.9909; 13.3121 104.379; 90.136; 94.2154	1469.93	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566858	CIF	C26 H45 N3 O P2	P 1 21 1	15.1934; 13.5842; 20.878 90; 101.6; 90	4221.01	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566859	CIF	C28 H50 I N3 O P2	P 1 21 1	10.0206; 28.85; 11.9155 90; 110.382; 90	3229.03	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566860	CIF	C28 H50 I N3 O P2	P 21 21 21	11.3691; 16.4031; 17.294 90; 90; 90	3225.13	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566861	CIF	C27 H47 N3 O P2	P 1	9.5482; 12.0125; 13.2604 103.899; 90.8396; 94.8447	1470.17	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566862	CIF	C26 H45 N3 O P2	P 21 21 21	9.3035; 15.6398; 19.0287 90; 90; 90	2768.77	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566863	CIF	C27 H47 N3 O P2	P 1	9.5547; 11.9843; 13.3167 103.719; 90.305; 94.423	1476.49	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566864	CIF	C28.5 H56 I N3 O P2	C 1 2 1	14.361; 11.6776; 20.98 90; 92.239; 90	3515.7	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566865	CIF	C27 H54 I N3 O P2	P 21 21 21	11.0895; 16.8933; 17.0952 90; 90; 90	3202.6	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566866	CIF	C27 H48 I N3 O P2	P 21 21 21	11.7716; 15.9064; 16.4323 90; 90; 90	3076.85	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566867	CIF	C23 H48 I N3 O P2	C 1 2 1	14.3333; 11.7334; 18.0008 90; 97.111; 90	3004.1	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566868	CIF	C28.5 H56 I N3 O P2	C 1 2 1	14.3801; 11.8816; 20.9273 90; 100.971; 90	3510.3	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566869	CIF	C28 H50 I N3 O P2	P 1 21 1	9.9808; 28.802; 11.8786 90; 109.431; 90	3220.21	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566870	CIF	C23 H48 I N3 O P2	P 1 21 1	14.2761; 11.8123; 18.2335 90; 97.663; 90	3047.3	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566871	CIF	C28 H50 I N3 O P2	P 1 21 1	9.9968; 28.7847; 11.8857 90; 109.645; 90	3221.1	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566872	CIF	C27 H54 I N3 O P2	P 1 21 1	9.6161; 35.768; 9.7814 90; 98.955; 90	3323.3	Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S. A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines Chemical Science, 2022
1566873	CIF	C11 H10 F N O2	P 1 21/c 1	13.2434; 3.8259; 19.122 90; 92.63; 90	967.85	Xing, Yi; Li, Zhongyu; Baryshnikov, Glib; Shen, Shen; Ye, Danfeng; Ågren, Hans; Zhu, Liangliang Water Molecular Bridge-Induced Selective Dual Polarization in Crystals for Stable Multi-Emitter Chemical Science, 2022
1566874	CIF	C16 H14 N2 O2	P 1 2/c 1	9.948; 5.7541; 23.8405 90; 100.984; 90	1339.67	Xing, Yi; Li, Zhongyu; Baryshnikov, Glib; Shen, Shen; Ye, Danfeng; Ågren, Hans; Zhu, Liangliang Water Molecular Bridge-Induced Selective Dual Polarization in Crystals for Stable Multi-Emitter Chemical Science, 2022
1566875	CIF	C16 H13 F N2 O2	P -1	10.5395; 10.6712; 13.2594 76.844; 85.075; 72.914	1387.8	Xing, Yi; Li, Zhongyu; Baryshnikov, Glib; Shen, Shen; Ye, Danfeng; Ågren, Hans; Zhu, Liangliang Water Molecular Bridge-Induced Selective Dual Polarization in Crystals for Stable Multi-Emitter Chemical Science, 2022
1566876	CIF	C15 H15 I O3 S	R -3 :H	20.7704; 20.7704; 21.5736 90; 90; 120	8060.1	Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu. Zwitterionic iodonium species afford halogen bond-based porous organic frameworks Chemical Science, 2022
1566877	CIF	C14 H13 I O3 S	P 1 21/c 1	7.0964; 23.1449; 8.145 90; 97.033; 90	1327.71	Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu. Zwitterionic iodonium species afford halogen bond-based porous organic frameworks Chemical Science, 2022
1566878	CIF	C12 H8 Cl I O3 S	P -1	6.0981; 8.1137; 25.8853 94.961; 93.997; 91.858	1271.9	Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu. Zwitterionic iodonium species afford halogen bond-based porous organic frameworks Chemical Science, 2022
1566879	CIF	C15 H15 I O3 S	P -1	10.1666; 14.3384; 20.5652 84.479; 82.633; 74.902	2864.29	Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu. Zwitterionic iodonium species afford halogen bond-based porous organic frameworks Chemical Science, 2022
1566880	CIF	C50 H32 O4	P 1 21 1	6.9528; 13.3069; 37.0562 90; 91.951; 90	3426.46	Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials Chemical Science, 2022
1566881	CIF	C52 H36 O5	P 21 21 21	7.2123; 17.9092; 27.4926 90; 90; 90	3551.12	Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials Chemical Science, 2022
1566882	CIF	C54 H38 O4	P 21 21 21	25.8331; 10.6809; 13.7334 90; 90; 90	3789.3	Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials Chemical Science, 2022
1566883	CIF	C54 H30 O4	P 21 21 21	10.2762; 13.1669; 26.875 90; 90; 90	3636.3	Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials Chemical Science, 2022
1566884	CIF	C39 H34 O3	P 1 21 1	10.9647; 18.7819; 14.2842 90; 98.404; 90	2910.07	Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials Chemical Science, 2022
1566885	CIF	C H N O S	C 1 m 1	9.1813; 32.2736; 40.651 90; 96.354; 90	11971.5	Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability Chemical Science, 2022
1566886	CIF	C98 H61 N12 S2	P -1	13.8636; 15.9137; 20.4987 83.865; 73.294; 85.019	4299.28	Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability Chemical Science, 2022
1566887	CIF	C29 H18 N	P -1	8.4867; 12.972; 18.128 105.478; 90.206; 96.312	1910.5	Meng, Guoyun; Zhang, Dongdong; Wei, Jinbei; Zhang, Yuewei; Huang, Tianyu; Liu, Ziyang; Yin, Chen; Hong, Xiangchen; Wang, Xiang; Zeng, Xuan; Yang, Dezhi; Ma, Dongge; Li, Guomeng; Duan, Lian Highly efficient and stable deep-blue OLEDs based on narrowband emitters featuring an orthogonal spiro-configured indolo[3,2,1-de]acridine structure Chemical Science, 2022
1566888	CIF	C28 H31 Cl N2 O2 Si	P -1	8.2938; 10.0055; 17.6368 74.549; 88.4; 68.207	1305.72	Miller, Stephen; Rao, Desaboini Nageswara; Ji, Xincai Silicon functionalization expands the repertoire of Si-rhodamine fluorescent probes Chemical Science, 2022
1566889	CIF	C31 H39 Al N2	P 1 21/n 1	8.6731; 13.6845; 22.6164 90; 95.026; 90	2673.95	Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules Chemical Science, 2022
1566890	CIF	C68 H80 Al2 N4	I 1 2/a 1	16.9198; 22.2833; 17.4576 90; 117.934; 90	5815.14	Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules Chemical Science, 2022
1566891	CIF	C159 H188 Al4 I8 N8	P -1	15.879; 16.076; 16.533 92.956; 109.505; 102.27	3853	Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules Chemical Science, 2022
1566892	CIF	C78 H91 Al2 N4	P 1 21/c 1	15.4528; 15.2329; 28.0296 90; 96.742; 90	6552.29	Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules Chemical Science, 2022
1566893	CIF	C71 H83 Al2 N4	P -1	13.438; 15.123; 15.478 75.326; 80.106; 84.764	2993.9	Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules Chemical Science, 2022
1566894	CIF	C68 H88 Al2 N4	P -1	11.884; 15.4141; 18.4138 112.49; 90.87; 105.49	2977.13	Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules Chemical Science, 2022
1566895	CIF	C33 H34 F3 O12 P S	P 1 21 1	10.5045; 16.82; 11.0991 90; 112.514; 90	1811.6	Liu, Fen; Huang, Haiyang; Sun, Longgen; Yan, Zeen; Tan, Xiao; Li, Jing; Luo, Xinyue; Ding, Haixin; Xiao, Qiang P(v) intermediate-mediated E1cB elimination for the synthesis of glycals Chemical Science, 2022
1566896	CIF	C51 H54 B N3	C 1 2/c 1	15.582; 33.295; 18.241 90; 90.452; 90	9463	Jiang, Long; Wang, Yu; Tan, Dehui; Chen, Xiaobin; Ma, Tinghao; Zhang, Baoliang; Yang, Deng-Tao Access to tetracoordinate boron-doped polycyclic aromatic hydrocarbons with delayed fluorescence and aggregation-induced emission under mild conditions Chemical Science, 2022
1566897	CIF	C59.42 H70.28 B N3	I 1 2/a 1	21.747; 19.582; 23.834 90; 90.748; 90	10148.8	Jiang, Long; Wang, Yu; Tan, Dehui; Chen, Xiaobin; Ma, Tinghao; Zhang, Baoliang; Yang, Deng-Tao Access to tetracoordinate boron-doped polycyclic aromatic hydrocarbons with delayed fluorescence and aggregation-induced emission under mild conditions Chemical Science, 2022
1566898	CIF	C56 H62 B N3	P -1	11.0795; 14.238; 15.3074 83.621; 78.486; 77.897	2307.5	Jiang, Long; Wang, Yu; Tan, Dehui; Chen, Xiaobin; Ma, Tinghao; Zhang, Baoliang; Yang, Deng-Tao Access to tetracoordinate boron-doped polycyclic aromatic hydrocarbons with delayed fluorescence and aggregation-induced emission under mild conditions Chemical Science, 2022
1566899	CIF	C22 H17 F3 O3	P 1 21/c 1	11.6118; 9.7486; 17.4474 90; 102.403; 90	1928.9	Zhang, Qi; Chiou, Mong-Feng; Ye, Changqing; Yuan, Xiaobin; Li, Yajun; Bao, Hongli Radical 1,2,3-Tricarbofunctionalization of α-Vinyl-β-Ketoesters Enabled by Carbon Shift from All-carbon Quaternary Center Chemical Science, 2022
1566900	CIF	C23 H18 Cl F3 O4	P 1 21/n 1	8.9925; 15.5533; 16.006 90; 105.451; 90	2157.7	Zhang, Qi; Chiou, Mong-Feng; Ye, Changqing; Yuan, Xiaobin; Li, Yajun; Bao, Hongli Radical 1,2,3-Tricarbofunctionalization of α-Vinyl-β-Ketoesters Enabled by Carbon Shift from All-carbon Quaternary Center Chemical Science, 2022
1566901	CIF	C23 H18 Cl F3 O3	P 1 21/c 1	12.5234; 9.7432; 17.5168 90; 97.018; 90	2121.35	Zhang, Qi; Chiou, Mong-Feng; Ye, Changqing; Yuan, Xiaobin; Li, Yajun; Bao, Hongli Radical 1,2,3-Tricarbofunctionalization of α-Vinyl-β-Ketoesters Enabled by Carbon Shift from All-carbon Quaternary Center Chemical Science, 2022
1566902	CIF	C22 H19 F3 O3	P 1 21/c 1	15.1282; 11.8989; 11.623 90; 111.112; 90	1951.8	Zhang, Qi; Chiou, Mong-Feng; Ye, Changqing; Yuan, Xiaobin; Li, Yajun; Bao, Hongli Radical 1,2,3-Tricarbofunctionalization of α-Vinyl-β-Ketoesters Enabled by Carbon Shift from All-carbon Quaternary Center Chemical Science, 2022
1566903	CIF HKL Paper	C32 H29 Br N2 O10 S3	P 1 21 1	16.99261; 6.02635; 17.4076 90; 107.831; 90	1696.97	Azzam, Rasha A.; Elgemeie, Galal H.; Gad, Nagwa M.; Jones, Peter G. 4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)sulfanyl]thiophene IUCrData, 2022, 7, x220412
1566904	CIF HKL Paper	C16 H20 Cl2 N2 O4	P 1 21/c 1	19.1257; 9.3864; 10.0502 90; 103.546; 90	1754.04	Obidova, Nodira; Ashurov, Jamshid; Izotova, Lidiya; Ibragimov, Bakhtiyar 2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate IUCrData, 2022, 7, x220441
1566905	CIF	C64 H50 N30 O15 Zn6	P 1 2/c 1	20.5713; 15.332; 21.6572 90; 96.891; 90	6781.3	Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science, 2022, 13, 4813-4820
1566906	CIF	C66 H50 N30 O15 Zn6	P 1 2/c 1	20.7927; 15.218; 21.7299 90; 93.52; 90	6862.9	Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science, 2022, 13, 4813-4820
1566907	CIF	C67 H50 N30 O15 Zn6	P 1 2/c 1	20.6916; 15.2813; 21.6745 90; 92.481; 90	6846.93	Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science, 2022, 13, 4813-4820
1566908	CIF	C66 H50 N30 O15 Zn6	P 1 2/c 1	20.5389; 15.2128; 21.6422 90; 94.526; 90	6741.1	Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science, 2022, 13, 4813-4820
1566909	CIF	C66 H50 N30 O15 Zn6	P 1 2/c 1	20.7798; 15.2345; 21.6564 90; 93.144; 90	6845.4	Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science, 2022, 13, 4813-4820
1566910	CIF	C30 H20 As Co O2	P -1	9.0514; 10.5907; 12.8357 76.116; 84.418; 78.076	1167.24	Kirk, Ryan M.; Hill, Anthony Arsolyl-Supported Intermetallic Dative Bonding Chemical Science, 2022
1566911	CIF	C18 H12 As Co O2	P n a 21	11.2347; 17.2771; 7.8356 90; 90; 90	1520.91	Kirk, Ryan M.; Hill, Anthony Arsolyl-Supported Intermetallic Dative Bonding Chemical Science, 2022
1566912	CIF	C10 H12 As Cl2 Co Hg O2	C 1 2/c 1	14.1928; 14.4745; 14.7169 90; 99.34; 90	2983.27	Kirk, Ryan M.; Hill, Anthony Arsolyl-Supported Intermetallic Dative Bonding Chemical Science, 2022
1566913	CIF	C23 H12 As Co F10 O3 Pt	P 21 21 21	9.1891; 12.7559; 21.0227 90; 90; 90	2464.18	Kirk, Ryan M.; Hill, Anthony Arsolyl-Supported Intermetallic Dative Bonding Chemical Science, 2022
1566914	CIF	C10 H12 As Cl2 Co Hg O2	P 1 21/n 1	8.8304; 14.2969; 11.846 90; 94.222; 90	1491.47	Kirk, Ryan M.; Hill, Anthony Arsolyl-Supported Intermetallic Dative Bonding Chemical Science, 2022
1566915	CIF	C16 H33 As Co O4 P Si2	C 1 c 1	7.9385; 19.9045; 15.3637 90; 90.3; 90	2427.61	Kirk, Ryan M.; Hill, Anthony Arsolyl-Supported Intermetallic Dative Bonding Chemical Science, 2022
1566916	CIF	C32 H24 As2 Au2 Co2 F10 O4	P -1	15.1208; 21.7675; 23.8537 100.283; 104.78; 91.078	7452.43	Kirk, Ryan M.; Hill, Anthony Arsolyl-Supported Intermetallic Dative Bonding Chemical Science, 2022
1566917	CIF	C12 H21 As Co O4 P	P 1 21/n 1	8.198; 14.8986; 26.2475 90; 97.071; 90	3181.45	Kirk, Ryan M.; Hill, Anthony Arsolyl-Supported Intermetallic Dative Bonding Chemical Science, 2022
1566918	CIF	C22 H38 N2 O7	P 21 21 21	9.608; 13.2461; 20.0321 90; 90; 90	2549.46	Chen, Wei-An; Chen, Yu-Hsin; Hsieh, Chiao-Yun; Hung, Pi-Fang; Chen, Chiao-Wen; Chen, Chien-Hung; Lin, Jung-Lee; Cheng, Ting-Jen R.; Hsu, Tsui-Ling; Wu, Ying-Ta; Shen, Chia-Ning; Cheng, Wei-Chieh Harnessing natural-product-inspired combinatorial chemistry and computation-guided synthesis to develop N-glycan modulators as anticancer agents Chemical Science, 2022
1566920	CIF	C30 H28 O4	P -1	10.891; 11.4276; 11.5284 116.793; 90.271; 101.247	1249.11	Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi Underwater luminescent labeling materials constructed from a supramolecular approach. Materials horizons, 2022, 9, 1984-1991
1566921	CIF	C30 H28 O4	P -1	7.8756; 11.8787; 13.8525 84.512; 84.625; 71.646	1221.59	Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi Underwater luminescent labeling materials constructed from a supramolecular approach. Materials horizons, 2022, 9, 1984-1991
1566922	CIF	C108 H99 Cl9 O12	P -1	14.9569; 17.9039; 22.5745 69.1; 74.702; 88.173	5434.3	Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe Cagearenes: synthesis, characterization, and application for programmed vapor release Chemical Science, 2022
1566923	CIF	C123 H114 O12	C 1 2/c 1	25.7782; 18.2534; 27.4389 90; 117.813; 90	11419.5	Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe Cagearenes: synthesis, characterization, and application for programmed vapor release Chemical Science, 2022
1566924	CIF	C145 H148 O12	P -1	14.166; 18.6824; 23.8099 82.321; 87.364; 74.141	6006.9	Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe Cagearenes: synthesis, characterization, and application for programmed vapor release Chemical Science, 2022
1566925	CIF	C114 H108 O12	P -1	13.898; 19.031; 24.191 112.073; 103.948; 93.107	5680	Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe Cagearenes: synthesis, characterization, and application for programmed vapor release Chemical Science, 2022
1566926	CIF	C40 H58 Li2 O10 S2	P 1 21/n 1	11.2936; 21.8827; 17.1083 90; 94.544; 90	4214.8	Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M. Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures Chemical Science, 2022
1566927	CIF	C12 H13 Na O3 S	P -1	5.9833; 9.3642; 11.7461 90.127; 101.89; 97.726	637.85	Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M. Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures Chemical Science, 2022
1566928	CIF	C12 H13 K O3 S	P 1 2/n 1	15.1783; 6.6961; 30.176 90; 104.412; 90	2970.4	Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M. Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures Chemical Science, 2022
1566929	CIF	C8 H8 Cr N4 Ni O5	P 1 21 1	6.6931; 8.4975; 9.8328 90; 102.711; 90	545.53	Tang, Hsu-Yen; Lee, Gene-Hsiang; Ng, Kwai-Kong; Yang, Chen-I A Three-Dimensional Coordination Framework with a Ferromagnetic Coupled Ni(II)-CrO4 Layer: Synthesis, Structure, and Magnetic Studies Polymers, 2022, 14, 1735
1566930	CIF	C27 H27 N O2	P 1 21 1	9.6464; 23.7748; 10.1622 90; 112.225; 90	2157.46	Wei, Wan-Xu; Kong, Xiangtao; Jiao, Rui-Qiang; Li, Xue-Song; Wang, Cui-Tian; Li, Yuke; Liang, Yong-Min Regioselective Synthesis of Spirocyclic Pyrrolines via a Palladium-Catalyzed Narasaka-Heck/C-H Activation/[4+2] Annulation Cascade Reaction Chemical Science, 2022
1566931	CIF	C30 H30 N O2	P 1 21/c 1	13.2005; 19.9331; 9.2145 90; 94.679; 90	2416.5	Wei, Wan-Xu; Kong, Xiangtao; Jiao, Rui-Qiang; Li, Xue-Song; Wang, Cui-Tian; Li, Yuke; Liang, Yong-Min Regioselective Synthesis of Spirocyclic Pyrrolines via a Palladium-Catalyzed Narasaka-Heck/C-H Activation/[4+2] Annulation Cascade Reaction Chemical Science, 2022
1566932	CIF	C48 H36 B Cu F24	P b c a	18.0783; 19.0664; 27.2154 90; 90; 90	9380.8	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566933	CIF	C71 H75 B Cu F24 N4 P3	P 1 21/n 1	14.9684; 25.1887; 19.9836 90; 95.937; 90	7494.1	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566934	CIF	C41 H65 Al Cu N4 O0.5 P3	P -1	11.2148; 14.0921; 14.3396 70.906; 82.68; 80.584	2106	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566935	CIF	C42.5 H64 Cu Ga N4 P3	P -1	11.344; 14.194; 14.285 70.274; 79.551; 82.067	2121.9	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566936	CIF	C78 H120 B12 Cl12 Cu2 Ga2 N8 P6	P -3 c 1	14.9147; 14.9147; 26.629 90; 90; 120	5130	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566937	CIF	C78 H120 Al2 B12 Cl12 Cu2 N8 P6	P -3 c 1	14.9086; 14.9086; 26.6016 90; 90; 120	5120.5	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566938	CIF	C34 H58 Tm	P 1 21/c 1	19.4715; 18.0905; 19.5394 90; 109.702; 90	6479.8	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566939	CIF	C70 H116 O2 Tm2	P 1 21/n 1	18.1868; 11.4972; 31.4355 90; 93.696; 90	6559.4	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566940	CIF	C71 H116 O3 Tm2	P c a 21	21.251; 10.8765; 28.794 90; 90; 90	6655.3	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566941	CIF	C74 H128 O3 Tm2	P 1 2/n 1	18.6229; 10.3489; 19.6817 90; 111.234; 90	3535.7	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566942	CIF	C74.25 H121.4 O5 Tm2	P -1	10.596; 17.174; 21.404 98.599; 99.006; 106.877	3602.1	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566943	CIF	C109 H177 O6 Tm3	I 1 2/a 1	29.457; 16.1306; 46.333 90; 105.969; 90	21166	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566944	CIF	C93 H170 O4 Si2 Tm2	P -1	13.4591; 17.361; 20.0159 65.739; 85.671; 77.074	4155.2	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566945	CIF	C159 H272 O12 Tm4	P -1	14.9953; 17.8272; 28.3472 75.491; 82.62; 70.215	6895.2	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566946	CIF	C127 H196 O12 Tm4	P -1	17.9662; 18.3952; 19.483 83.851; 83.324; 75.907	6182	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566947	CIF	C15 H14 Er N9 O12.5	P -1	8.9555; 9.4191; 15.4553 75.154; 77.176; 67.936	1156.33	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF Chemical Science, 2022
1566948	CIF	C15 H8 Er N9 O7.5	P -1	9.0051; 9.3427; 12.533 93.979; 97.759; 115.991	929.3	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF Chemical Science, 2022
1566949	CIF	C15 H14 Er N9 O10	P -1	8.6201; 10.422; 11.9887 80.139; 79.145; 82.373	1036.52	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF Chemical Science, 2022
1566950	CIF	C15 H10 Er N9 O8	P -1	9.013; 9.2; 12.495 94.9; 98.1; 115.67	912	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF Chemical Science, 2022
1566951	CIF	C38 H40 N4 Zn2	P 1 21/c 1	10.9337; 16.6716; 9.6093 90; 98.976; 90	1730.15	Liao, Xi; Cui, Feng-Chao; He, Jiang-Hua; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Yue-Tao A sustainable approach for the synthesis of recyclable cyclic CO2-based polycarbonates Chemical Science, 2022
1566952	CIF	C39 H34 N2 O6 S2	P -1	9.9015; 11.8523; 14.5872 93.222; 99.421; 100.578	1653.52	Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework Chemical Science, 2022
1566953	CIF	C249 H289 N25 O80 Zr6	F m -3	38.4865; 38.4865; 38.4865 90; 90; 90	57006.6	Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework Chemical Science, 2022
1566954	CIF	C8 H5 F3 N2 O6	P 1 21/c 1	6.1503; 12.5829; 13.1818 90; 93.683; 90	1018.01	Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M. Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols Chemical Science, 2022
1566955	CIF	C17 H12 Br F3 N2 O7	P 21 21 21	10.9727; 11.795; 14.1878 90; 90; 90	1836.23	Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M. Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols Chemical Science, 2022
1566956	CIF	C15 H12 F3 N O4	P b c a	13.5889; 9.9317; 20.9678 90; 90; 90	2829.83	Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M. Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols Chemical Science, 2022
1566957	CIF	C40 H38 O10	P 1	13.5907; 15.0346; 18.9632 97.644; 101.994; 104.537	3598	Zhao, Gaoyuan; Mukherjee, Upasana; Zhou, Lin; Wu, Yue; Yao, Wang; Mauro, Jaclyn N.; Liu, Peng; Ngai, Ming-Yu C2-ketonylation of carbohydrates via excited-state palladium-catalyzed 1,2-spin-center shift Chemical Science, 2022
1566958	CIF	C5 H11 B O3	P b c n	14.303; 13.119; 7.702 90; 90; 90	1445.2	Itou, Takahiko; Kitai, Hideyuki; Shimazu, Akira; Miyazaki, Tsukasa; Tashiro, Kohji Clarification of Cross-Linkage Structure in Boric Acid Doped Poly(vinyl alcohol) and Its Model Compound As Studied by an Organized Combination of X-ray Single-Crystal Structure Analysis, Raman Spectroscopy, and Density Functional Theoretical Calculation The Journal of Physical Chemistry B, 2014, 118, 6032-6037
1566959	CIF	C18 H8 N2 O2	P 1 21/c 1	4.3819; 13.469; 10.1801 90; 97.073; 90	596.3	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566960	CIF	C18 H12 N2 O4	P 1 21/c 1	7.5646; 3.6755; 23.933 90; 95.995; 90	661.79	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566961	CIF	C24 H8 F4 I2 N2 O2	P -1	4.1848; 7.7399; 16.2513 92.097; 90.002; 99.199	519.25	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566962	CIF	C18 H8 N2 O2	P 1 21/n 1	11.589; 3.7599; 14.384 90; 112.54; 90	578.9	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566963	CIF	C24 H8 F4 I2 N2 O2	P -1	4.2046; 6.7216; 18.2394 94.632; 93.684; 99.922	504.5	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566964	CIF	C27 H24.75 N3 O7.88	C 1 2/c 1	12.826; 28.416; 27.47 90; 101.61; 90	9807	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566965	CIF	C37 H54 N5 Nb O3	P -1	10.17; 12.074; 15.7696 91.221; 90.452; 114.46	1761.9	Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations Chemical Science, 2022
1566966	CIF	C37 H54 N5 O3 Ta	P -1	10.178; 12.1307; 15.7705 91.362; 90.315; 114.43	1772.04	Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations Chemical Science, 2022
1566967	CIF	C38 H54 N5 O5 Ta	P 1 21 1	10.8852; 15.2484; 12.4719 90; 114.466; 90	1884.23	Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations Chemical Science, 2022
1566968	CIF	C42 H33 Cu2 F10 N7 O5 S2	P -1	12.9678; 14.3694; 14.5813 63.797; 69.859; 65.255	2171.18	Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science, 2022, 13, 6619-6625
1566969	CIF	C38 H24 B Cu2 F8 N7 O6 S2	P 1 21/n 1	13.3106; 22.6847; 15.3728 90; 107.618; 90	4424.05	Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science, 2022, 13, 6619-6625
1566970	CIF	C78 H69 B2 Cu4 F16 N14 O12.5 S4	P 1 21/n 1	12.4859; 32.2974; 21.2406 90; 90.543; 90	8565.14	Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science, 2022, 13, 6619-6625
1566971	CIF	C20 H10 F2 N2 O2	P 1 21/c 1	13.6961; 3.76836; 28.7891 90; 105.163; 90	1434.1	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566972	CIF	C20 H10 F2 N2 O2	P 1 21/c 1	14.2172; 3.76778; 13.7038 90; 102.504; 90	716.66	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566973	CIF	C20 H10 F2 N2 O2	P -1	3.8854; 7.0333; 14.1014 102.713; 86.084; 105.939	361.44	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566974	CIF	C20 H10 F2 N2 O2	P 1 21/c 1	14.3352; 3.77265; 27.374 90; 103.686; 90	1438.4	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566975	CIF	C20 H10 F2 N2 O2	P 1 21/c 1	14.166; 3.758; 13.762 90; 103.09; 90	713.6	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566976	CIF	C101 H175 As8 K3 N10 Nb O18 Zn4	P 1 21/n 1	16.9909; 33.0617; 22.675 90; 104.519; 90	12330.9	Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors. Chemical science, 2022, 13, 6744-6748
1566977	CIF	C92 H160 As8 K3 N8 O18 Ta Zn4	P 1 21/n 1	17.0926; 32.8161; 22.5199 90; 104.29; 90	12240.8	Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors. Chemical science, 2022, 13, 6744-6748
1566978	CIF	C71 H92 Cr Mg2 N4 O6	P n a 21	35.2188; 15.3914; 12.77462 90; 90; 90	6924.7	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566979	CIF	C71 H92 Mg2 N4 O6 W	P n a 21	35.3464; 15.4039; 12.869 90; 90; 90	7006.8	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566980	CIF	C67 H91 Mg2 Mn N4 O3	P 1 21/c 1	15.2588; 12.9668; 35.832 90; 97.903; 90	7022.3	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566981	CIF	C79 H120 Mg2 N4 O2 Rh	P 1 21/n 1	14.0176; 13.9077; 40.2691 90; 99.749; 90	7737.2	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566982	CIF	C104 H154 Cr Mg3 N6 O5	P 1 21/c 1	19.433; 17.40489; 30.8931 90; 96.4115; 90	10383.6	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566983	CIF	C79 H120 Ir Mg2 N4 O2	P 1 21/n 1	14.0273; 13.9062; 40.2048 90; 99.779; 90	7728.7	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566984	CIF	C67 H90 Cr Mg2 N4 O3	P 1 21/c 1	15.3628; 12.9497; 35.885 90; 99.436; 90	7042.5	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566985	CIF	C77 H100 Fe Mg2 N4 O5	P -1	13.3957; 13.4353; 22.6744 99.136; 97.078; 112.627	3642.1	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566986	CIF	C84 H115 Co Mg2 N4 O2	P 1 21/c 1	13.9878; 13.5935; 41.687 90; 92.375; 90	7919.7	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566987	CIF	C12 H48 As8 N12 Ni2 O26 V6	I 41/a c d :2	20.3058; 20.3058; 24.3847 90; 90; 90	10054.4	Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang Composition-driven archetype dynamics in polyoxovanadates Chemical Science, 2022
1566988	CIF	C12 As8 N12 Ni2 O45 V12	P 1 21/n 1	23.1578; 11.9216; 11.7372 90; 95.2333; 90	3226.88	Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang Composition-driven archetype dynamics in polyoxovanadates Chemical Science, 2022
1566989	CIF	C15.23 H28.13 Cu1.07 N4.3	P b c n	11.819; 12.632; 10.1183 90; 90; 90	1510.6	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022
1566990	CIF	C14 H26 N4 Zn	P b c n	12.064; 11.9661; 10.878 90; 90; 90	1570.34	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022
1566991	CIF	C12 H19 N2 Ni O2.5	C 1 2/c 1	22.1206; 8.3405; 17.7408 90; 128.032; 90	2578.1	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022
1566992	CIF	C12 H18.13 Cu N2 O2.07	C 1 2/c 1	34.5296; 7.5713; 19.7903 90; 107.444; 90	4935.9	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022
1566993	CIF	C19 H14 B Cu F4 N2 O5	P 1 21/n 1	6.6391; 33.5424; 11.4021 90; 106.155; 90	2438.9	Kochetygov, Ilia; Justin, Anita; Asgari, Mehrdad; Yang, Shuliang; Karve, Vikram; Schertenleib, Till; Stoian, Dragos; Oveisi, Emad; Mensi, Mounir; Queen, Wendy L. 3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry Chemical Science, 2022
1566994	CIF	C17 H13 B Cu F4 N2 O4	P 1 21/c 1	14.932; 31.562; 14.861 90; 98.45; 90	6928	Kochetygov, Ilia; Justin, Anita; Asgari, Mehrdad; Yang, Shuliang; Karve, Vikram; Schertenleib, Till; Stoian, Dragos; Oveisi, Emad; Mensi, Mounir; Queen, Wendy L. 3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry Chemical Science, 2022
1566995	CIF	C22 H27 N O5	P -1	7.4056; 9.453; 15.293 84.544; 81.654; 83.321	1048.73	Martynova, Ekaterina A.; Voloshkin, Vladislav; Guillet, Sébastien; Bru, Francis; Belis, Marek; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P. Energy transfer (EnT) photocatalysis enabled by Gold-N-heterocyclic carbene (NHC) complexes Chemical Science, 2022
1566996	CIF	C15 H15 N O S	P 1 21/n 1	15.7788; 5.6659; 16.0675 90; 116.848; 90	1281.6	Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M. Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds. Chemical science, 2022, 13, 6567-6572
1566997	CIF	C23 H26 N2 O S	P 1 n 1	7.7413; 10.5757; 25.507 90; 98.727; 90	2064.1	Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M. Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds. Chemical science, 2022, 13, 6567-6572
1566998	CIF	C47 H28 B Cl F24	P -1	12.4688; 12.8052; 15.4127 79.663; 83.931; 69.083	2259.1	Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science, 2022, 13, 6532-6540
1566999	CIF	C47 H28 B Br F24	P -1	12.4957; 12.7882; 15.4855 79.453; 83.941; 69.043	2269.6	Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science, 2022, 13, 6532-6540
1567000	CIF	C47 H28 B F24 I	P -1	12.5291; 12.8808; 15.7078 79.342; 83.823; 68.734	2319.4	Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science, 2022, 13, 6532-6540
1567001	CIF	C3 H4 K Li O5	P n a 21	8.5885; 7.5236; 9.3685 90; 90; 90	605.36	Cao, Liling; Tian, Haotian; Lin, Donghong; Lin, Chensheng; Xu, Feng; Han, Yinglei; Yan, Tao; Chen, Jindong; Li, Bing-Xuan; Ye, Ning; Luo, Min Flexible Functional Module Regulate Ultraviolet Optical Nonlinearity Achieving a Balance between Second-harmonic Generation Response and Birefringence Chemical Science, 2022
1567002	CIF	C13 H18 B Cu F4 N4	P -1	7.9267; 10.4752; 10.6827 107.079; 100.319; 102.013	801.49	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567003	CIF	C31 H22 B Cu F18 N6	P 1 21/m 1	11.064; 13.6074; 11.4278 90; 91.989; 90	1719.44	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567004	CIF	C22 H16 Ag B F6 N4	P 1 21/n 1	14.6979; 10.2199; 15.7068 90; 105.812; 90	2270.06	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567005	CIF	C22 H16 B Cu F6 N4	P -1	10.1272; 10.3873; 12.0427 75.542; 65.639; 76.936	1106.56	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567006	CIF	C13 H18 Ag F6 N4 Sb	P 1 21/n 1	11.724; 12.2179; 12.8999 90; 93.091; 90	1845.13	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567007	CIF	C156 H144 Cl6 N12 O6	P 1 21 1	13.9655; 39.9035; 15.4673 90; 100.516; 90	8474.7	Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components Chemical Science, 2022
1567008	CIF	C156 H144 Cl6 N12 O6	P 1 21 1	14.1106; 40.2961; 15.5297 90; 101.091; 90	8665.3	Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components Chemical Science, 2022
1567009	CIF HKL Paper	C21 H18 Br2 N4	F d d 2	18.0776; 48.2301; 4.5424 90; 90; 90	3960.45	Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W. 1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide IUCrData, 2022, 7, x220526
1567010	CIF HKL Paper	C25 H26 Br2 N4 O2	P n m a	15.4863; 22.2936; 7.21 90; 90; 90	2489.22	Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W. 1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate IUCrData, 2022, 7, x220525
1567011	CIF HKL Paper	C19 H21 I O6 S	P 1 21/c 1	6.1823; 24.9509; 12.7606 90; 100.257; 90	1936.92	Smith, Timothy J.; Koser, Gerald; Chen, Yi; Zeller, Matthias; Iacino, Rocco; Selzer, Nichole (Phenyliodosyl)benzene tosylate dihydrate IUCrData, 2022, 7, x220522
1567012	CIF	C72 H108 Br2 I2 N36 O36	P 1 21/n 1	14.3431; 16.633; 20.226 90; 97.151; 90	4787.8	Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions Chemical Science, 2022, 13, 7247-7255
1567013	CIF	C24 H40 Br2 Cl2 N4 O10	P -1	6.6366; 6.8219; 19.554 82.484; 87.519; 68.781	818.2	Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions Chemical Science, 2022, 13, 7247-7255
1567014	CIF	C12 H10 Cl2 N6 Zn	P 1 21/n 1	7.5599; 13.9242; 13.8315 90; 92.303; 90	1454.8	Zhou, Bo; Yan, Dongpeng Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides Chemical Science, 2022
1567015	CIF	C12 H10 Br2 N6 Zn	P 1 21/n 1	7.8171; 14.4787; 13.5772 90; 94.249; 90	1532.46	Zhou, Bo; Yan, Dongpeng Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides Chemical Science, 2022
1567016	CIF	C16 H15 Cl2 N4 Zn	P -1	7.5306; 8.4502; 14.2634 106.449; 92.468; 101.093	849.64	Zhou, Bo; Yan, Dongpeng Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides Chemical Science, 2022
1567017	CIF	C17 H22 N4 S	P -1	5.6168; 8.175; 39.0525 87.102; 88.922; 73.34	1715.7	Shangguan, Zhichun; Sun, Wenjin; Zhang, Zhao-Yang; Fang, Dong; Wang, Zhihang; Wu, Si; Deng, Chao; Huang, Xianhui; He, Yixin; Wang, Ruzhu; Li, Tingxian; Moth-Poulsen, Kasper; Li, Tao A rechargeable molecular solar thermal system below 0 °C Chemical Science, 2022
1567018	CIF	C11 H12 N4 S	P 1 21/c 1	10.1876; 9.2946; 12.4426 90; 104.262; 90	1141.9	Shangguan, Zhichun; Sun, Wenjin; Zhang, Zhao-Yang; Fang, Dong; Wang, Zhihang; Wu, Si; Deng, Chao; Huang, Xianhui; He, Yixin; Wang, Ruzhu; Li, Tingxian; Moth-Poulsen, Kasper; Li, Tao A rechargeable molecular solar thermal system below 0 °C Chemical Science, 2022
1567019	CIF	C12 H13 F2 N O	P 21 21 21	7.32492; 7.77679; 18.6427 90; 90; 90	1061.97	Noten, Efrey A.; McAtee, Rory C.; Stephenson, Corey R. J. Catalytic intramolecular aminoarylation of unactivated alkenes with aryl sulfonamides Chemical Science, 2022
1567020	CIF	C36 H22 Br3 N10	P -1	7.2378; 7.7475; 17.8746 83.578; 83.241; 67.104	914.53	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567021	CIF	C31 H10 N9	P 1 21/c 1	13.2712; 12.5807; 7.7388 90; 90.466; 90	1292.03	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567022	CIF	C31 H10 N9	P 1 21/c 1	13.3766; 12.8023; 7.7861 90; 90.396; 90	1333.35	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567023	CIF	C30 H15 I N9	P 1	7.168; 7.6291; 13.6797 78.422; 83.441; 69.68	686.44	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567024	CIF	C31 H16 Br2 N9	P -1	8.0361; 13.0398; 14.2071 92.624; 98.576; 104.767	1418	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567025	CIF	C31 H17 N9	P 1 21/c 1	13.0864; 25.3377; 7.8403 90; 92.651; 90	2596.9	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567026	CIF	C48 H26 N14	P -1	7.8212; 9.7542; 13.2653 78.103; 75.829; 82.246	956.32	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567027	CIF	C36 H22 Br2 I N10	P -1	7.5693; 13.03; 18.5239 105.159; 90.971; 98.382	1741.66	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567028	CIF	C30 H14 Br2 N9	P -1	6.6911; 7.8201; 27.6491 97.673; 90.168; 108.973	1354.23	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567029	CIF	C30 H16 N9	P -1	7.7274; 13.1422; 13.3145 99.902; 106.251; 97.225	1256.99	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567030	CIF	C29 H8 N9	P -1	7.2867; 7.7545; 13.1305 92.616; 103.414; 113.979	651.19	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567031	CIF	C36 H16 N10	P -1	7.1249; 7.6572; 14.4249 89.017; 83.589; 68.34	726.6	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567032	CIF	C36 H16 N10	P -1	7.2179; 7.6887; 14.5445 89.176; 82.57; 69.284	748.2	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567033	CIF	C15 H9 N5	P -1	7.0634; 7.8154; 13.468 73.628; 89.55; 67.258	653.56	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567034	CIF	C15 H9 N5	P -1	7.1924; 7.8489; 13.617 106.174; 90.739; 112.525	675.74	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567035	CIF	C37 H20 N9 O	P -1	9.1474; 11.3666; 15.9321 106.234; 91.277; 99.804	1562.98	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567036	CIF	C16 H8 N5	P -1	7.5381; 8.013; 13.3368 103.618; 90.811; 115.727	699.07	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567037	CIF	C30 H15 I N9	P 1	7.0735; 7.8171; 13.8419 74.353; 88.928; 67.934	680.1	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567038	CIF	C29 H22 Cl N O	P 1 21/n 1	16.7731; 7.1332; 19.2367 90; 104.828; 90	2224.95	Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group Chemical Science, 2022, 13, 7347-7354
1567039	CIF	C25 H29 Cl N O Rh	P 1 21/c 1	18.7457; 7.7279; 31.217 90; 93.528; 90	4513.68	Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group Chemical Science, 2022, 13, 7347-7354
1567040	CIF	C37 H38 N2 O4 S	P 1 21/c 1	9.018; 20.697; 17.164 90; 98.38; 90	3169	Jiang, Kun; Li, Shi-Jun; Liu, Qing-Peng; Yu, Ning; Li, Yu-Lin; Zhou, Yu-Qiang; He, Kui-Cheng; Lin, Jing; Zheng, Ting-Yu; Lang, Jian; Lan, Yu; Wei, Ye Iminyl radical-triggered relay annulation for the construction of bridged aza-tetracycles bearing four contiguous stereogenic centers Chemical Science, 2022, 13, 7283-7288
1567041	CIF	C19.36 H13.07 Br0.64 N O	P 1 21/n 1	11.5265; 10.1543; 12.3229 90; 95.063; 90	1436.69	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567042	CIF	C19.47 H13.41 Br0.53 N O	P 1 21/n 1	11.5657; 10.1316; 12.3187 90; 95.031; 90	1437.93	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567043	CIF	C19.44 H13.32 Br0.56 N O	P 1 21/n 1	11.568; 10.1429; 12.3305 90; 95.097; 90	1441.05	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567044	CIF	C19.56 H13.67 Br0.44 N O	P 1 21/n 1	11.585; 10.11; 12.3005 90; 94.882; 90	1435.46	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567045	CIF	C19.81 H14.44 Br0.19 N O	P 1 21/n 1	11.603; 10.0711; 12.3038 90; 94.846; 90	1432.62	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567046	CIF	C19.91 H14.74 Br0.09 N O	P 1 21/n 1	11.6141; 10.0515; 12.2961 90; 94.745; 90	1430.52	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567047	CIF	C19.71 H14.14 Br0.29 N O	P 1 21/n 1	11.5964; 10.0911; 12.308 90; 94.854; 90	1435.1	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567048	CIF	C53 H37 N11 O4	P 1	10.1334; 10.2002; 11.4807 93.3946; 99.9779; 107.948	1103.79	Gorai, Tumpa; Lovitt, June I.; Umadevi, Deivasigamani; McManus, Gavin; Gunnlaugsson, Thorfinnur Hierarchical supramolecular co-assembly formation employing multi-component light-harvesting charge transfer interactions giving rise to long-wavelength emitting luminescent microspheres. Chemical science, 2022, 13, 7805-7813
1567049	CIF	C37.75 H43.75 Cl5.25 N6 O6	P 1	12.733; 13.433; 14.738 63.059; 71.223; 73.702	2100.3	Al Kelabi, Dana; Dey, Avishek; Alimi, Lukman O.; Piwoński, Hubert; Habuchi, Satoshi; Khashab, Niveen M. Photostable polymorphic organic cages for targeted live cell imaging Chemical Science, 2022, 13, 7341-7346
1567050	CIF	C15 H21 B11	P 1 21 1	6.7358; 11.9489; 11.5149 90; 103.165; 90	902.42	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567051	CIF	C21 H30 B11 O	P -1	7.8822; 11.7078; 13.388 105.252; 90.534; 92.608	1190.45	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567052	CIF	C25 H25 B Br N	P -1	9.2177; 10.2602; 13.2793 107.932; 90.235; 114.595	1073.71	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567053	CIF	C28 H37 B11 N2	P 1 21/c 1	13.6036; 13.3357; 16.4811 90; 96.337; 90	2971.63	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567054	CIF	C23 H28 B11 Br	P 21 21 21	8.9395; 9.8238; 29.8355 90; 90; 90	2620.15	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567055	CIF	C24 H36 B11	P 1 21/n 1	12.6143; 21.4357; 13.0722 90; 116.555; 90	3161.79	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567056	CIF	C19 H29 B11 O	P 42/n :2	27.0865; 27.0865; 12.6873 90; 90; 90	9308.4	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567057	CIF	C28 H33 B Br N2	C 1 2/c 1	39.182; 9.7414; 13.0827 90; 93.923; 90	4981.8	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567058	CIF	C23 H29 B Br N	P -1	9.1163; 9.2445; 14.8961 92.922; 107.409; 114.918	1063.39	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567059	CIF	C28 H37 B11 Br N	P -1	9.6639; 9.8598; 17.3492 84.8; 80.733; 68.625	1518.39	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567060	CIF	C23 H29 B11	P 1 21/c 1	15.9256; 12.1813; 24.8883 90; 97.611; 90	4785.66	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567061	CIF	C32 H38 B11 N	P 1 21 1	12.3347; 21.712; 13.3034 90; 115.859; 90	3206.05	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567062	CIF	C26 H42 B11 N	P -1	15.8288; 16.0876; 21.5724 94.138; 92.684; 106.677	5235.45	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567063	CIF	C192 H242 Cl2 Cu18 P4 S12	P 1 21/c 1	19.2184; 47.4362; 24.0097 90; 100.521; 90	21520.4	Mandal, Sukhendu; Das, Anish Kumar; Biswas, Sourav; Wani, Vaibhav Shridhar; Nair, Akhil S.; Pathak, Biswarup [Cu18H3(S-Adm)12(PPh3)4Cl2]: Fusion of Platonic and Johnson Solids Through Cu(0) Center and Its Photophysical Properties Chemical Science, 2022
1567064	CIF	C70 H89 N O12	F d d d :2	12.556; 26.6378; 45.7727 90; 90; 90	15309.3	Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals Chemical Science, 2022
1567065	CIF	C70 H92 O13	P 1 2/n 1	12.5731; 22.6648; 14.4358 90; 113.995; 90	3758.2	Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals Chemical Science, 2022
1567066	CIF	C61 H83.5 N1.5 O10	P -1	14.9616; 16.3732; 24.4025 109.598; 98.054; 90	5568.9	Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals Chemical Science, 2022
1567067	CIF	C20 H34 Br2 S2 Si6	C 1 2/c 1	22.243; 8.33206; 18.2305 90; 113.89; 90	3089.19	Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S. Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials Chemical Science, 2022
1567068	CIF	C26 H44 O2 Si6	P 1 21/c 1	10.3662; 11.2796; 14.0764 90; 91.466; 90	1645.37	Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S. Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials Chemical Science, 2022
1567069	CIF	C24 H40 Si6	P 1 21/c 1	36.335; 6.64881; 18.7594 90; 95.565; 90	4510.62	Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S. Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials Chemical Science, 2022
1567070	CIF	C30 H58 Si10	P -1	8.8909; 13.8639; 37.001 86.116; 83.625; 81.6	4477.9	Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S. Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials Chemical Science, 2022
1567071	CIF	C17 H15 N O2	P 1 21 1	9.65133; 11.74209; 25.3227 90; 90.6825; 90	2869.54	Liu, Teng; Ni, Shaofei; Guo, Wusheng Practical asymmetric amine nucleophilic approach for the modular construction of protected α-quaternary amino acids Chemical Science, 2022
1567072	CIF	C18 H17 N5 O5	P 1 21 1	7.1241; 34.022; 7.3539 90; 90.288; 90	1782.4	Zhang, Dequan; Wen, Jialin; Zhang, Xumu Construction of a quaternary stereogenic center by asymmetric hydroformylation: a straightforward method to prepare chiral α-quaternary amino acids Chemical Science, 2022, 13, 7215-7223
1567073	CIF	C48 H45 Cl N2 Pd	P 21 21 21	11.191; 18.5238; 21.495 90; 90; 90	4455.9	Lu, Zhou; Liao, Yudan; Fan, Weigang; Dai, Shengyu Efficient suppression of the chain transfer reaction in ethylene coordination polymerization with dibenzosuberyl substituents Polymer Chemistry, 2022, 13, 4090-4099
1567074	CIF	C32 H30 Br2 Cl2 N2 O6 Pd2	P 1 21/c 1	13.9156; 3.92009; 30.0833 90; 102.038; 90	1604.97	Bermúdez-Puente, Brais; Adrio, Luis A.; Lucio-Martínez, Fátima; Reigosa, Francisco; Ortigueira, Juan M.; Vila, José M. Imine Palladacycles: Synthesis, Structural Analysis and Application in Suzuki–Miyaura Cross Coupling in Semi-Aqueous Media Molecules, 2022, 27, 3146
1567075	CIF	C24 H21 Cl N4 O2	P -1	8.7215; 10.1275; 12.8202 101.771; 103.693; 90.843	1074.68	Govdi, Anastasia I.; Tokareva, Polina V.; Rumyantsev, Andrey M.; Panov, Maxim S.; Stellmacher, Johannes; Alexiev, Ulrike; Danilkina, Natalia A.; Balova, Irina A. 4,5-Bis(arylethynyl)-1,2,3-triazoles-A New Class of Fluorescent Labels: Synthesis and Applications. Molecules (Basel, Switzerland), 2022, 27, 3191
1567076	CIF	C111 H127 N11 O4	P -1	14.7293; 18.9653; 22.0241 66.815; 72.348; 74.252	5307.4	Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science, 2022, 13, 7276-7282
1567077	CIF	C109 H121 B4 F8 N11 O5	P 21 21 21	17.2251; 23.1997; 28.8441 90; 90; 90	11526.6	Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science, 2022, 13, 7276-7282
1567078	CIF	C111 H129 B2 Cl4 F4 N11 O5	P b c n	38.9356; 18.8132; 29.4619 90; 90; 90	21580.9	Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science, 2022, 13, 7276-7282
1567079	CIF	C104 H104 B3 F6 N11	P -1	12.9759; 17.3; 23.1532 82.59; 81.602; 76.517	4975.7	Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science, 2022, 13, 7276-7282
1567080	CIF	C38 H60 B2 N4 O4	P 1 21/n 1	8.465; 16.1068; 13.6527 90; 95.327; 90	1853.43	Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions. Chemical science, 2022, 13, 8321-8333
1567081	CIF	C20 H36 B I N4 O2	P 1 2/c 1	13.3858; 14.2988; 13.1709 90; 109.65; 90	2374.11	Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions. Chemical science, 2022, 13, 8321-8333
1567082	CIF HKL Paper	C17 H20 N2 O4	C 1 2/c 1	23.0488; 8.1149; 18.3223 90; 104.454; 90	3318.5	Zaoui, Younes; Assila, Hamza; Mague, Joel T.; Alsubari, Abdulsalam; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate IUCrData, 2022, 7, x220582
1567083	CIF HKL Paper	C7 H7 Br2 N	P 21 21 21	4.3773; 13.585; 14.057 90; 90; 90	835.9	Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali 2,6-Dibromo-4-methylaniline IUCrData, 2022, 7, x220577
1567084	CIF	C24 H58 Cl10 Cr2 N10 P4	P 1 21/c 1	11.9522; 13.5271; 14.8191 90; 104.592; 90	2318.65	Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P. Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation Catalysis Science & Technology, 2022, 12, 4544-4551
1567085	CIF	C32 H72 Cr2 Li4 O4	P c c n	9.9307; 17.6625; 22.0161 90; 90; 90	3861.6	Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P. Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation Catalysis Science & Technology, 2022, 12, 4544-4551
1567086	CIF	C24 H58 Cl10 Cr2 N10 P4	P 1 21/c 1	9.3625; 12.7925; 19.2108 90; 96.406; 90	2286.51	Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P. Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation Catalysis Science & Technology, 2022, 12, 4544-4551
1567087	CIF	C45 H60 Cl2 N2 O4 S2	P -1	13.984; 14.07; 14.277 61.576; 82.569; 62.486	2176.2	Ning, Chao; Rui, Kang-Hua; Wei, Yin; Shi, Min Rh(i)-catalyzed dimerization of ene-vinylidenecyclopropanes for the construction of spiro[4,5]decanes and mechanistic studies Chemical Science, 2022, 13, 7310-7317
1567088	CIF	C13 H14 Cl I O2	P 21 21 21	8.9639; 11.1228; 13.259 90; 90; 90	1321.97	Payne, Jenna L.; Deng, Zihang; Flach, Andrew L.; Johnston, Jeffrey N. Enantioselective iodolactonization to prepare ε-lactone rings using hypervalent iodine Chemical Science, 2022, 13, 7318-7324
1567089	CIF	C17 H23 B O3	P c c n	21.7236; 13.8308; 10.9428 90; 90; 90	3287.8	Cheng, Tairan; Liu, Boxiang; Wu, Rui; Zhu, Shifa Cu-Catalyzed Carboboration of Acetylene with Michael Acceptors Chemical Science, 2022
1567090	CIF	C12 H6 Ga O5	P 42/n m c :2	21.57; 21.57; 6.7 90; 90; 90	3117.3	Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks IUCrJ, 2022, 9
1567091	CIF	C57 H99 Fe K N5 O6 Si2	P 1 21/c 1	11.9424; 24.7899; 22.9964 90; 95.974; 90	6771.1	Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science, 2022, 13, 7907-7913
1567092	CIF	C39 H63 Fe N3 Si2	P b c a	19.2646; 16.7587; 24.952 90; 90; 90	8055.7	Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science, 2022, 13, 7907-7913
1567093	CIF	C48 H88 Fe K N4 O6 Si2	P 1 21/n 1	18.281; 14.0555; 22.1239 90; 106.298; 90	5456.3	Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science, 2022, 13, 7907-7913
1567094	CIF	C58 H99 Fe K N5 O6 S2 Si2	P 1 21/c 1	13.8538; 24.6616; 23.5229 90; 90.755; 90	8036.1	Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science, 2022, 13, 7907-7913
1567095	CIF	C35 H24 N2 O9 S4	P 1 21/c 1	12.807; 13.731; 20.965 90; 110.6; 90	3451.02	Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives. Chemical science, 2022, 13, 7886-7891
1567096	CIF	C8 H7.33 Br2 O0.67	P 1 21/m 1	7.6142; 7.1461; 12.6645 90; 106.526; 90	660.63	Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives. Chemical science, 2022, 13, 7886-7891
1567097	CIF	C19 H13 N3 O	P -1	6.1025; 8.5817; 14.6868 86.201; 80.086; 76.138	735.34	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567098	CIF	C21 H13 F3 N2 O	P 1 21/c 1	12.0851; 7.7428; 19.0267 90; 102.465; 90	1738.41	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567099	CIF	C22 H19 N3 O	I 1 2/a 1	21.1606; 7.1694; 25.5604 90; 110.862; 90	3623.5	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567100	CIF	C17 H13 Cl N2 O	C 1 c 1	5.7112; 23.177; 10.865 90; 90.891; 90	1438	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567101	CIF	C27 H17 N3 O	P 1 21/n 1	11.3712; 9.205; 19.1767 90; 104.402; 90	1944.18	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567102	CIF	C21 H16 N2 O	P 21 21 21	7.4535; 11.5915; 18.893 90; 90; 90	1632.3	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567103	CIF	C174 H177.6 Cl24 N24 O4.46 Pd12	P 1 21 1	14.2647; 52.2312; 19.5113 90; 91.295; 90	14533.4	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567104	CIF	C88.2 H87.46 Cl12 N13.37 O2.7 Pd6 S0.37	P 1 21/c 1	19.5405; 51.9315; 14.3152 90; 90.587; 90	14525.8	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567105	CIF	C89.25 H90.25 Cl21.75 N13 O2 Pd6	P 1 21/c 1	19.4857; 51.838; 14.3167 90; 90.706; 90	14460.2	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567106	CIF	C86 H87 Cl12 N13 O Pd6	P 1 21/c 1	19.6017; 52.3627; 14.3397 90; 90.6; 90	14717.4	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567107	CIF	C179.1 H185.56 Cl24 N25 O2 Pd12	P 1 21 1	14.3205; 50.1973; 19.4935 90; 91.679; 90	14006.9	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567108	CIF	C42 H36 Ag13 F18 N6 O18 S6	P -1	14.0332; 15.3545; 22.418 82.805; 84.35; 88.156	4768.2	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567109	CIF	C14 H14 F6 N2 O6 S2	P -1	6.8729; 8.3071; 8.8774 77.25; 88.991; 75.454	478.12	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567110	CIF	C51 H50 Ag F9 N16 O9 S3	P 1 21/c 1	13.6223; 29.4112; 17.5734 90; 111.122; 90	6567.72	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567111	CIF	C62 H55 Ag5 F9 N17 O9 S3	C 1 2/c 1	38.1353; 21.9159; 25.6721 90; 129.97; 90	16443.4	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567112	CIF	C59 H57 Ag5 F9 N17 O9 S3	P -1	14.8014; 22.3158; 24.83 84.932; 76.949; 73.121	7643.2	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567113	CIF	C57 H53 Ag5 F9 N17 O9 S3	I 1 2/a 1	25.7535; 24.5293; 24.9163 90; 91.174; 90	15736.7	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567114	CIF	C18 H22 F6 N2 O6 S2	P -1	9.0344; 12.927; 15.428 85.714; 87.099; 87.475	1792.99	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567115	CIF	C72 H48 Ag13 F18 N6 O18 S6	F d d d :2	16.1557; 30.2077; 58.888 90; 90; 90	28739	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567116	CIF Paper	C25.5 H26 N2 O9 S	P 41 21 2	12.9189; 12.9189; 29.4056 90; 90; 90	4907.74	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567117	CIF Paper	C51 H53 N4 O18 S2	P 41 21 2	12.917; 12.917; 29.3859 90; 90; 90	4903	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567118	CIF Paper	C25.5 H25.5 N2 O8.5 S	P 41 21 2	12.9076; 12.9076; 29.467 90; 90; 90	4909.38	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567119	CIF Paper	C25.5 H28 N2 O7.5 S	P 41 21 2	12.8885; 12.8885; 29.5227 90; 90; 90	4904.12	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567120	CIF Paper	C25 H26.5 Br0.5 N2 O7 S	P 41 21 2	12.8625; 12.8625; 29.5499 90; 90; 90	4888.85	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567121	CIF Paper	C33.33 H35.33 Cl0.67 N2.67 O9.33 S1.33	P 41 21 2	12.8788; 12.8788; 29.3261 90; 90; 90	4864.13	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567122	CIF Paper	C50 H48 F6 N4 O14 S2	P 41 21 2	12.8425; 12.8425; 29.4534 90; 90; 90	4857.74	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567123	CIF Paper	C50 H53 I N4 O14 S2	P 41 21 2	12.9104; 12.9104; 29.4495 90; 90; 90	4908.6	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567124	CIF Paper	C53 H60 N4 O14 S2	P 41 21 2	13.2792; 13.2792; 28.2737 90; 90; 90	4985.7	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567125	CIF Paper	C26 H29 N2 O7 S	P 41 21 2	12.9696; 12.9696; 29.2499 90; 90; 90	4920.14	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567126	CIF Paper	C50 H52 N6 O15 S2	P 41 21 2	12.8876; 12.8876; 29.4547 90; 90; 90	4892.14	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567127	CIF Paper	C50 H53 N5 O16 S2	P 41 21 2	12.9268; 12.9268; 29.3204 90; 90; 90	4899.5	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567128	CIF Paper	C26 H30.5 N2 O7 S	P 41 21 2	13.185; 13.185; 28.593 90; 90; 90	4970.73	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567129	CIF Paper	C51 H53 N4 O17 S2	P 41 21 2	12.9133; 12.9133; 29.3418 90; 90; 90	4892.84	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567130	CIF Paper	C51 H54 F3 N4 O14 S2	P 41 21 2	12.9492; 12.9492; 29.6806 90; 90; 90	4976.9	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567131	CIF	C80 H13 N10 Pd7 Sn4	P 1 21/c 1	14.2023; 26.2964; 12.15252 90; 94.3571; 90	4525.48	Kojima, Naoya; Kato, Misaki; Sunada, Yusuke Discrete palladium clusters that consist of two mutually bisecting perpendicular planes Chemical Science, 2022
1567132	CIF	C74 H90 Ge6 N10 O2 Pd8	P -1	13.6964; 14.4844; 14.7143 73.065; 62.695; 82.678	2481.29	Kojima, Naoya; Kato, Misaki; Sunada, Yusuke Discrete palladium clusters that consist of two mutually bisecting perpendicular planes Chemical Science, 2022
1567133	CIF	C17 H21 N O2	P -1	8.1149; 9.1915; 10.8628 68.232; 78.44; 81.264	734.51	Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light. Chemical science, 2022, 13, 7947-7954
1567134	CIF	C31 H32 Co N5 O4 Sn	P b c a	15.0187; 14.1539; 30.0583 90; 90; 90	6389.6	Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light. Chemical science, 2022, 13, 7947-7954
1567135	CIF	C30 H90 Ge9 P Rh Si12	P 1 21/c 1	14.4411; 25.5519; 18.9046 90; 101.771; 90	6829.06	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567136	CIF	C86 H130 B F24 Ge9 P Rh Si12	P -1	15.0839; 19.3502; 21.6497 106.313; 96.757; 92.771	6000.52	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567137	CIF	C40 H107 Ge9 N2 Rh Si12	P -1	16.3622; 19.8996; 25.9438 68.56; 79.856; 82.113	7715.4	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567138	CIF	C73 H116 B F24 Ge9 O Rh Si12 W	P 1 21/c 1	17.9023; 13.8042; 44.4206 90; 96.969; 90	10896.4	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567139	CIF	C37 H93 Ge9 Rh Si12 W	P 1 21/c 1	14.2783; 25.643; 19.8461 90; 101.575; 90	7118.64	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567140	CIF	C12 H12 N4 Ni O4 S	C 1 c 1	28.3729; 6.5464; 7.3531 90; 97.1; 90	1355.29	González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry, 2022, 46, 14786-14792
1567141	CIF	C12 H16 N4 Ni O4 S	I 1 2/a 1	23.012; 6.0848; 10.6386 90; 91.194; 90	1489.3	González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry, 2022, 46, 14786-14792
1567142	CIF	C6 H8 N2 Ni O4 S	C m c m	6.476; 7.2221; 16.615 90; 90; 90	777.09	González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry, 2022, 46, 14786-14792
1567143	CIF	C24 H18 Br2 O2	P 1 21/c 1	10.087; 24.117; 10.137 90; 119.385; 90	2148.7	Samultceva, Sofia O.; Dvorko, Marina Yu.; Shabalin, Dmitrii A.; Ushakov, Igor’ A.; Vashchenko, Alexander V.; Schmidt, Elena Yu.; Trofimov, Boris A. Regio- and stereoselective base-catalyzed assembly of 6-methylene-5-oxaspiro[2.4]heptanones from alkynyl cyclopropyl ketones Organic & Biomolecular Chemistry, 2022, 20, 5325-5333
1567144	CIF HKL Paper	C32 H72 Cl12 I2 Nb6 O12	P b c a	19.3389; 18.1968; 34.039 90; 90; 90	11978.5	Schröder, Florian; Köckerling, Martin Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate IUCrData, 2022, 7, x220618
1567145	CIF	C102 H148 Ag16 Cl F15 N4 O16 S9	P -1	17.2901; 17.3047; 29.001 94.002; 97.603; 119.287	7410.1	Das, Anish Kumar; Biswas, Sourav; Manna, Surya Sekhar; Pathak, Biswarup; Mandal, Sukhendu An atomically precise silver nanocluster for artificial light-harvesting system through supramolecular functionalization. Chemical science, 2022, 13, 8355-8364
1567146	CIF	C23 H42 Cl Ir N4 O P2	P 1 21/c 1	17.533; 8.1217; 21.3907 90; 111.63; 90	2831.5	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567147	CIF	C23 H42 I Ir N4 O P2	P 1 21/c 1	17.9499; 8.1504; 21.5003 90; 110.968; 90	2937.18	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567148	CIF	C25 H44 Cl3 Ir N4 O P2	P 1 21/n 1	11.9445; 10.1985; 25.8721 90; 94.016; 90	3143.9	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567149	CIF	C48 H89 F2 Ir2 N9 O3 P4	P -1	11.8995; 16.0723; 17.0807 67.203; 75.219; 89.306	2898.06	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567150	CIF	C25 H48 F6 Ir N4 O P3	P -1	13.2443; 16.1281; 16.2491 77.427; 82.219; 84.357	3347.95	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567151	CIF	C23 H42 Br Ir N4 O P2	P 1 21/c 1	17.7005; 8.1175; 21.384 90; 111.189; 90	2864.81	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567152	CIF	C23 H42 F6 Ir N4 O P3	P 1 21/c 1	12.0735; 10.6615; 23.5954 90; 92.963; 90	3033.18	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567153	CIF	C26 H45.5 Ir N5.5 O P2	P b c a	26.0183; 23.433; 31.3406 90; 90; 90	19107.9	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567154	CIF	C60 H84 Ag12 F18 N3 O19 S30	P 1 21/n 1	15.6815; 15.1285; 48.3672 90; 98.426; 90	11350.7	Cheng, Xun; Zhong, Rui-Ru; Yuan, Shang-Fu; Guan, Zong-Jie; Liu, Kuan-Guan Compact Accumulation of Superatomic Silver Nanoclusters with Octahedral Ag6 Core Ligated by Trithiane Nanoscale, 2022
1567155	CIF	C20 H24 Ag6 F12 O8 S12	C 1 2/c 1	26.1584; 10.0265; 19.8095 90; 128.008; 90	4093.7	Cheng, Xun; Zhong, Rui-Ru; Yuan, Shang-Fu; Guan, Zong-Jie; Liu, Kuan-Guan Compact Accumulation of Superatomic Silver Nanoclusters with Octahedral Ag6 Core Ligated by Trithiane Nanoscale, 2022
1567156	CIF	C30 H27 N O5 S	P 21 21 21	9.4559; 16.0249; 16.2168 90; 90; 90	2457.33	Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones Chemical Science, 2022, 13, 8576-8582
1567157	CIF	C30 H25 N O4 S	P 21 21 21	9.6145; 18.9746; 26.9615 90; 90; 90	4918.62	Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones Chemical Science, 2022, 13, 8576-8582
1567158	CIF	C26 H30 N2 O4	P -1	4.85556; 6.47166; 19.94656 92.1464; 95.834; 104.227	603.153	de Oliveira Martins, Inês; Marin, Francesco; Modena, Enrico; Maini, Lucia On the crystal forms of NDI-C6: annealing and deposition procedures to access elusive polymorphs. Faraday discussions, 2022, 235, 490-507
1567159	CIF	C56 H37 Co N5 P	P -1	9.7214; 12.92; 17.269 77.514; 83.542; 79.876	2078.5	Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles Catalysis Science & Technology, 2022, 12, 5125-5135
1567160	CIF	C57 H36 Co N6 P	P -1	14.3899; 16.2551; 19.6213 91.265; 108.634; 94.679	4328.9	Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles Catalysis Science & Technology, 2022, 12, 5125-5135
1567161	CIF	C29 H29 B2 Cl2 N2 P Ru S3	P 1 21/n 1	9.9824; 23.4742; 13.6413 90; 94.6068; 90	3186.2	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science, 2022, 13, 8567-8575
1567162	CIF	C32 H45 B2 N2 P Ru S5	P 1 21/c 1	17.2497; 15.0068; 19.7663 90; 115.089; 90	4634	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science, 2022, 13, 8567-8575
1567163	CIF	C33 H36 B2 Cl2 N2 Ru S4	P -1	8.1421; 9.038; 11.991 91.746; 95.358; 91.618	877.7	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science, 2022, 13, 8567-8575
1567164	CIF	C40 H47 Cl2 N3 P Ru S6	C 1 2/c 1	43.162; 11.6075; 17.077 90; 94.107; 90	8533.7	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science, 2022, 13, 8567-8575
1567165	CIF	C16 H14 O2	P 21 21 21	5.247; 8.2089; 28.1307 90; 90; 90	1211.65	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567166	CIF	C12 H12 O3	P 21 21 21	8.796; 10.4133; 10.7857 90; 90; 90	987.92	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567167	CIF	C16 H14 O2	P 21 21 21	5.9107; 13.8035; 15.3174 90; 90; 90	1249.72	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567168	CIF	C14 H12 O2	P 21 21 21	8.6793; 22.7043; 11.0413 90; 90; 90	2175.77	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567169	CIF	C14 H17 Br O5	P -1	7.8803; 9.7157; 10.6212 94.241; 94.434; 111.794	748.16	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567170	CIF	C6 H12 N2 O4	C 1 2/c 1	20.8643; 4.5307; 8.748 90; 102.292; 90	807.99	Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A. Ductile gas barrier poly(ester–amide)s derived from glycolide Polymer Chemistry, 2022, 13, 3882-3891
1567171	CIF	C8 H16 N2 O4	P 1 21/c 1	8.1288; 7.536; 8.551 90; 113.285; 90	481.16	Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A. Ductile gas barrier poly(ester–amide)s derived from glycolide Polymer Chemistry, 2022, 13, 3882-3891
1567172	CIF	C10 H20 N2 O4	C 1 2/c 1	25.3633; 5.2161; 8.9982 90; 103.025; 90	1159.81	Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A. Ductile gas barrier poly(ester–amide)s derived from glycolide Polymer Chemistry, 2022, 13, 3882-3891
1567173	CIF	Fe2 O4 Zn	F d -3 m :2	8.44753; 8.44753; 8.44753 90; 90; 90	602.822	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567174	CIF	Fe2 Ni0.1 O4 Zn0.9	F d -3 m :2	8.4462; 8.4462; 8.4462 90; 90; 90	602.538	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567175	CIF	Fe2 Ni0.2 O4 Zn0.8	F d -3 m :2	8.4447; 8.4447; 8.4447 90; 90; 90	602.217	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567176	CIF	Fe2 Ni0.3 O4 Zn0.7	F d -3 m :2	8.4434; 8.4434; 8.4434 90; 90; 90	601.938	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567177	CIF	Fe2 Ni0.4 O4 Zn0.6	F d -3 m :2	8.4422; 8.4422; 8.4422 90; 90; 90	601.682	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567178	CIF	Fe2 Ni0.5 O4 Zn0.5	F d -3 m :2	8.4413; 8.4413; 8.4413 90; 90; 90	601.489	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567179	CIF	C12 H10 O2 Pb S2	P 1 21/c 1	15.1207; 5.2004; 7.6325 90; 95.5358; 90	597.372	Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines Catalysis Science & Technology, 2022, 12, 4851-4856
1567180	CIF	C6 H4 Pb S2	P 1 21/c 1	7.4789; 5.2068; 17.4623 90; 93.3828; 90	678.82	Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines Catalysis Science & Technology, 2022, 12, 4851-4856
1567181	CIF	C11 H14 N2 O5	P 1 21/a 1	26.371; 5.2029; 8.904 90; 99.325; 90	1205.5	Linberg, Kevin; Röder, Bettina; Al-Sabbagh, Dominik; Emmerling, Franziska; Michalchuk, Adam A. L. Controlling polymorphism in molecular cocrystals by variable temperature ball milling. Faraday discussions, 2023, 241, 178-193
1567182	CIF HKL Paper	C20 H70 N28 O34 V10	P -1	8.9701; 13.2202; 14.0861 99.609; 103.133; 107.676	1499	Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate IUCrData, 2022, 7, x220627
1567183	CIF HKL Paper	C8 H4 N4 Te2	P -1	7.6531; 11.7862; 16.8371 81.35; 85.884; 80.44	1478.9	Franklin, Donna; Lee, Aundrea; Fronczek, Frank R.; Junk, Thomas [1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine IUCrData, 2022, 7, x220622
1567184	CIF	C22 H56 Al O P Si4	P -1	9.05033; 11.72687; 16.30904 94.4336; 96.4467; 108.884	1615.45	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science, 2022, 13, 8088-8094
1567185	CIF	C23 H55 Al O3 P Si4	P 1 21/n 1	11.738; 28.6426; 11.8207 90; 119.12; 90	3471.9	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science, 2022, 13, 8088-8094
1567186	CIF	C30 H78 Al2 O4 Si8	P 1 21/n 1	14.912; 9.33098; 17.8266 90; 104.662; 90	2399.68	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science, 2022, 13, 8088-8094
1567187	CIF	C23 H58 Al O3 P Si4	P -1	12.51484; 16.89311; 17.04953 84.6973; 76.7333; 75.257	3390.6	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science, 2022, 13, 8088-8094
1567188	CIF	C28 H25 N3 O3	P 1 21/c 1	12.6477; 12.7165; 19.2801 90; 130.968; 90	2341.4	Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science, 2022, 13, 8131-8136
1567189	CIF	C11 H10 N O P S	P 1 21 1	8.8091; 14.2922; 15.6275 90; 97.274; 90	1951.69	Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science, 2022, 13, 8131-8136
1567190	CIF	C28 H26 N3 O3	P 1 21 1	8.647; 20.509; 8.854 90; 101.501; 90	1538.7	Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science, 2022, 13, 8131-8136
1567191	CIF	C29 H27 N3 O3	P 21 21 21	9.75496; 13.6686; 18.7757 90; 90; 90	2503.49	Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science, 2022, 13, 8131-8136
1567192	CIF	C144 H82 N12 O32 S6 Zr6	F d -3 m :2	39.3006; 39.3006; 39.3006 90; 90; 90	60701.2	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567193	CIF	C84 H44 N6 O16 S3 Zr3	F d -3 m :2	39.2392; 39.2392; 39.2392 90; 90; 90	60417.2	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567194	CIF	C14 H10 N6 S Zn	P 1 21/n 1	7.0203; 10.3506; 24.2607 90; 95.442; 90	1754.94	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567195	CIF	C12 H6 N6 S Zn	I 41	16.549; 16.549; 12.4563 90; 90; 90	3411.4	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567196	CIF	C112 H64 N16 O17 Se4 Zn4	P -1	10.4136; 15.0054; 15.7481 88.538; 87.931; 81.423	2431.19	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567197	CIF	C112 H64 N16 O17 S4 Zn4	P -1	10.4363; 15.0079; 15.7667 88.157; 88.133; 81.78	2441.9	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567198	CIF	C18 H27 F3 N4 O7	P 1 21 1	18.0201; 14.3179; 18.0259 90; 111.026; 90	4341.2	Schnitzer, Tobias; Rackl, Jonas W.; Wennemers, Helma Stereoselective peptide catalysis in complex environments – from river water to cell lysates Chemical Science, 2022
1567199	CIF	C38 H84 Br0.6 Cl3.4 N2 Pt	P -1	7.5925; 8.1406; 20.0035 88.891; 80.802; 66.229	1115.54	Yamamoto, Eisuke; Suzuki, Akiko; Kobayashi, Makoto; Osada, Minoru Tailored Synthesis of Molecularly-Thin Platinum Nanosheets Using Designed 2D Surfactant Solids Nanoscale, 2022
1567200	CIF	C H4 N2 O S Sn	P b c a	5.817; 16.812; 11.892 90; 90; 90	1163	Kokunov, Yu. V. Tin(II) Fluoride Compounds with Mixed Acidoligands: Synthesis and Crystal Structure of NH4[SnF2(NCS)] Russian Journal of Coordination Chemistry, 2000, 26, 857-860
1567201	CIF	C60 H144 Cs N3 O16 Si8 U2	P -1	14.1418; 16.3515; 22.1403 107.364; 92.5382; 108.194	4588.44	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567202	CIF	C67 H152 K3 N5 O16 Si8 U2	P 1 21/n 1	17.5895; 26.3839; 21.325 90; 99.763; 90	9753.2	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567203	CIF	C60 H144 Cs N3 O16 Si8 U2	P -1	13.9128; 16.1167; 21.8294 80.346; 83.8; 71.074	4557	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567204	CIF	C60 H144 Cs2 N3 O16 Si8 U2	P -1	13.707; 13.7678; 29.7454 94.2273; 97.0402; 117.487	4887.79	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567205	CIF	C72 H174 K2 N5 O14 Si10 U2	P 1 21/c 1	20.57855; 19.40862; 26.9671 90; 91.6235; 90	10766.4	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567206	CIF	C49.2 H129 K N5 O8.3 Si10 U2	P 1 21/n 1	12.81649; 23.44652; 27.38157 90; 100.985; 90	8077.44	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567207	CIF	C66 H162 K6 N6 O16 Si10 U2	P 1 21/n 1	15.102; 29.934; 27.0037 90; 99.035; 90	12055.9	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567208	CIF	C84 H198 K2 N9 O20 Si10 U2	P -1	13.8976; 14.741; 18.5692 106.635; 103.811; 95.243	3487.04	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567209	CIF	C60 H144 K N3 O16 Si8 U2	P -1	14.1046; 16.153; 22.2432 108.265; 92.266; 107.449	4540.8	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567210	CIF	C96 H234 K6 N10 O24 Si14 U4	P -1	13.65686; 17.961; 20.0238 93.8055; 91.6994; 112.135	4531.67	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567211	CIF	C36 H90 K N2 O8 Si6 U	P -1	13.5839; 20.4057; 22.3874 66.602; 83.686; 85.153	5655	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567212	CIF	C66 H158 K2 N3 O16 Si8 U2	P 1 21/c 1	14.10134; 30.68723; 46.2387 90; 92.8994; 90	19983.3	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567213	CIF	H3 K3 O12 V2	P 1 21/c 1	6.6993; 9.945; 15.797 90; 93.72; 90	1050.3	Lesnugin, A. V.; Rybakov, V. B.; Aslanov, L. A.; Anisimov, A. V. Synthesis and Structure of Potassium Oxodiperoxovanadate Russian Journal of Coordination Chemistry, 2001, 27, 116-118
1567214	CIF	Ba Co0.4 Fe0.4 O2.426 Zr0.2	P m -3 m	4.109664; 4.109664; 4.109664 90; 90; 90	69.41	Antonis Vamvakeros, Dorota Matras, Simon D.M. Jacques, Marco di Michiel, Vesna Middelkoop, Peixi Cong, Stephen W.T. Price, Craig L. Bull, Pierre Senecal, Andrew M. Beale Real-time tomographic diffraction imaging of catalytic membrane reactors for the oxidative coupling of methane Catalysis Today, 2021, 364, 242
1567215	CIF	Fe O4 W	P 1 2/c 1	4.73523; 5.74138; 4.99198 90; 90.0801; 90	135.716	Patil, Amitkumar R.; Dongale, Tukaram D.; Kamat, Rajanish K.; Rajpure, Keshav Y. Spray pyrolysis deposited iron tungstate memristive device for artificial synapse application Materials Today Communications, 2021, 29, 102900
1567216	CIF	O4 W Zn	P 1 2/c 1	4.69482; 5.72249; 4.92885 90; 90.6325; 90	132.411	Patil, Amitkumar R.; Dongale, Tukaram D.; Kamat, Rajanish K.; Rajpure, Keshav Y. Spray deposited zinc tungstate thin film for non-volatile memory application Materials Letters, 2022, 322, 132494
1567217	CIF	C34 H50	P -1	5.35; 9.58; 14.946 99.685; 90.243; 96.275	750.4	Kitamura, Chitoshi; Tsukuda, Hideki; Kawase, Takeshi; Kobayashi, Takashi; Naito, Hiroyoshi Crystal Structure of 1,4,5,8-Tetrapentylanthracene X-ray Structure Analysis Online, 2010, 26, 65-66
1567218	CIF	C24 H44 Cl4 Cu2 N4 O2	P 21 21 21	8.694; 12.752; 27.613 90; 90; 90	3061.3	Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G. Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime Russian Journal of Coordination Chemistry, 2001, 27, 423-432
1567219	CIF	C36 H80 Cl2 Cu3 N6 O12	P 43 21 2	22.423; 22.423; 20.454 90; 90; 90	10284	Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G. Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime Russian Journal of Coordination Chemistry, 2001, 27, 423-432
1567220	CIF	C24 H20 O8 Re S16	P -1	9.04; 12.744; 16.14 80.22; 88.87; 78.67	1796.5	Gritsenko, V. V.; D'yachenko, O. A.; Kotov, A. I.; Buravov, L. I.; Mizuno, M. Influence of Packing of Radical Cations on the Conductivity of the New Molecular Semiconductor (Doet)2ReO4 Russian Journal of Coordination Chemistry, 2001, 27, 401-406
1567221	CIF	C28 H28 N O3 Sb	P 1 21/c 1	9.874; 22.905; 12.325 90; 112.03; 90	2584	Sharutin, V. V.; Sharutina, O. K.; Bondar', E. A.; Pakusina, A. P.; Adonin, N. Yu.; Starichenko, V. F.; Fukin, G. K.; Zakharov, L. N. Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures Russian Journal of Coordination Chemistry, 2001, 27, 393-397
1567222	CIF	C31 H20 F5 O2 Sb	P 1 21/c 1	16.175; 8.765; 20.42 90; 113.03; 90	2664.3	Sharutin, V. V.; Sharutina, O. K.; Bondar', E. A.; Pakusina, A. P.; Adonin, N. Yu.; Starichenko, V. F.; Fukin, G. K.; Zakharov, L. N. Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures Russian Journal of Coordination Chemistry, 2001, 27, 393-397
1567223	CIF	C18 H26 O14 Zn	C 1 2/c 1	25.254; 6.952; 13.951 90; 116.41; 90	2193.7	Shova, S.; Novitsky, G.; Gdaniec, M.; Simonov, Yu. A.; Shafransky, V.; Turta, C. Synthesis and Structure of Tetraaqua-bis(2-Formylphenoxyacetato)Zinc(II) Dihydrate Russian Journal of Coordination Chemistry, 2001, 27, 387-392
1567224	CIF	F15 H12 N3 Sb4	P -1	8.317; 10.419; 10.826 63.71; 73.24; 77.42	800.9	Udovenko, A. A.; Gorbunova, Yu. E.; Zemnukhova, L. A.; Mikhailov, Yu. N.; Davidovich, R. L. Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III) Russian Journal of Coordination Chemistry, 2001, 27, 479-482
1567225	CIF	Cs3 F15 Sb4	P 1 21/c 1	8.079; 19.116; 8.162 90; 117.08; 90	1122.3	Udovenko, A. A.; Gorbunova, Yu. E.; Zemnukhova, L. A.; Mikhailov, Yu. N.; Davidovich, R. L. Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III) Russian Journal of Coordination Chemistry, 2001, 27, 479-482
1567226	CIF	H2 O3 P Rb	P 1 21/c 1	7.53; 8.634; 12.426 90; 102.46; 90	788.8	Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A. Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3 Russian Journal of Coordination Chemistry, 2001, 27, 458-462
1567227	CIF	Cs H2 O3 P	P 1 21/c 1	7.93; 8.929; 13.163 90; 104.84; 90	900.9	Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A. Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3 Russian Journal of Coordination Chemistry, 2001, 27, 458-462
1567228	CIF	H2 O3 P Tl	P n a 21	6.603; 6.785; 8.836 90; 90; 90	395.86	Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A. Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3 Russian Journal of Coordination Chemistry, 2001, 27, 458-462
1567229	CIF	C14 H8 F2 O2	P 21 21 2	6.1423; 23.2488; 4.0149 90; 90; 90	573.33	Divya, Indira S.; Saravanan, Kandasamy; Haseba, Shodai; Sasaki, Toshiyuki; Koshima, Hideko; Wozniak, Krzysztof; Varughese, Sunil Flexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending Chemical Science, 2022
1567230	CIF	C42 H74 Cl3 F0 N4 O8 S0 Sc	P 21 21 21	13.2602; 14.244; 25.4714 90; 90; 90	4811	Li, Yi; Xin, Shuang; Weng, Rui; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of Chromanone Lactones via Vinylogous Conjugate Addition of Butenolide to 2-Ester Chromones Chemical Science, 2022
1567231	CIF	C7 H14 Cl N3 O4	P 21 21 21	5.2258; 8.7007; 22.97 90; 90; 90	1044.4	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567232	CIF	C17 H23 N O10 S	P 21 21 21	8.0982; 15.8199; 16.351 90; 90; 90	2094.8	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567233	CIF	C39 H33 Cl6 N P2 Pt	P -1	10.7207; 13.8244; 14.532 114.84; 91.402; 96.559	1935.42	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567234	CIF	C17 H18 O4 S	P 1 21 1	5.7898; 8.4887; 15.9793 90; 92.849; 90	784.38	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567235	CIF	C52 H40 B2 F8 N4 P2 Pt	P 1 21/m 1	11.289; 16.021; 13.684 90; 107.97; 90	2354.2	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567236	CIF	C12 H18 O5 S2	P 21 21 21	9.1347; 9.4741; 18.1026 90; 90; 90	1566.65	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567237	CIF	C74.5 H69 Br2 Cl N8 O2 S2 Zn2	P -1	10.784; 11.371; 29.455 97.326; 97.564; 96.209	3522.5	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567238	CIF	C88 H144 Ag2 N24 O4 Pd4	C 1 2/m 1	22.785; 15.8669; 20.292 90; 108.536; 90	6955.5	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567239	CIF	C88 H148 Ag2 B2 F20 N24 O2 Pd4 Si2	P -1	13.5019; 14.026; 20.0093 72.754; 73.765; 80.009	3457.63	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567240	CIF	C33 H42 N4 O2	P b c a	14.8284; 17.9936; 21.3095 90; 90; 90	5685.7	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567241	CIF	C56 H55 Al N4 O5.5 P	C 1 2/c 1	21.806; 21.822; 20.8 90; 101.314; 90	9705	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567242	CIF	C48 H32 Al Cl4 N4 O4 P	P n a 21	13.424; 16.38; 41.151 90; 90; 90	9048	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567243	CIF	C53 H48 Al N4 O6 P	P -1	11.8738; 13.224; 16.406 81.934; 81.586; 64.23	2286.4	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567244	CIF	C64 H68 Al N4 O4 P	P -1	13.374; 14.095; 16.593 96.179; 106.731; 103.041	2868	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567245	CIF	C58 H52 Al N4 O4 P	P -1	13.324; 13.763; 14.19 91.243; 104.039; 101.05	2471	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567246	CIF HKL Paper	C8 H5 Cl N2 O2	P 1 21/c 1	7.4296; 7.5187; 14.3206 90; 94.184; 90	797.83	Martins, Bianca Barreto; Gervini, Vanessa Carratu; Pires, Fabricio Carvalho; Bortoluzzi, Adailton João; de Oliveira, Adriano Bof (3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one IUCrData, 2016, 1, x161506
1567247	CIF	C12 H11 Br I N O	C 1 2/c 1	19.7902; 6.2266; 20.7782 90; 102.111; 90	2503.4	Li, Xinwei; Cheng, Zengrui; Liu, Jianzhong; Zhang, Ziyao; Song, Song; Jiao, Ning Selective Desaturation of Amides: A Direct Approach to Enamides Chemical Science, 2022
1567248	CIF HKL Paper	C6 H8 N2	P 1 21/n 1	7.908; 7.441; 9.88 90; 104.91; 90	561.8	Morales-Collazo, Oscar; Lynch, Vincent M.; Brennecke, Joan F. 6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole IUCrData, 2020, 5, x200681
1567249	CIF	C6 H8 Ag Br N2	P 1 21/c 1	6.316; 7.365; 17.769 90; 81.08; 90	816.57	Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions, 2023, 241, 448-465
1567250	CIF	C6 H9 Br N2	P 1 21/c 1	7.8259; 13.3434; 7.8729 90; 103.64; 90	798.93	Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions, 2023, 241, 448-465
1567251	CIF	C6 H8 Ag Br N2	P 1 21/c 1	9.4518; 6.188; 14.3981 90; 105.712; 90	810.65	Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions, 2023, 241, 448-465
1567252	CIF	C6 H8 Ag I N2	P 1 21/c 1	16.9162; 4.5682; 22.7197 90; 90.447; 90	1755.65	Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions, 2023, 241, 448-465
1567253	CIF	C6 H8 Ag I N2	P -1	4.579; 10.323; 10.263 112.54; 83.86; 85.59	441.808	Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions, 2023, 241, 448-465
1567254	CIF	C6 H8 Ag Br N2	P -1	4.3871; 10.1081; 10.251 113.498; 97.081; 93.535	410.63	Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions, 2023, 241, 448-465
1567255	CIF	C44 H73 N2 O4 Y	P -1	9.938; 12.053; 19.598 94.27; 104.5; 90.69	2265.3	Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands Polymer Chemistry, 2022, 13, 4249-4259
1567256	CIF	C50 H86 N2 O4.25 Y	I 1 2 1	21.9272; 11.1967; 41.785 90; 92.244; 90	10250.9	Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands Polymer Chemistry, 2022, 13, 4249-4259
1567257	CIF	H7 O9 P3 Rb2	P -1	7.713; 8.679; 9.235 79.36; 67.6; 88.13	561.2	Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E. Superacid Univalent Metal Phosphites (MH2PO3)2 x H3PO3 (M = Rb, Tl(I)) and MH2PO3 x H3PO3 (M = K, Cs): Synthesis and Structure Russian Journal of Coordination Chemistry, 2001, 27, 527-536
1567258	CIF	H7 O9 P3 Tl2	P -1	7.69; 8.494; 9.292 79.48; 66.72; 85.45	548.1	Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E. Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure Russian Journal of Coordination Chemistry, 2001, 27, 527-536
1567259	CIF	H5 K O6 P2	P 1 21/c 1	8.726; 12.182; 6.354 90; 104.14; 90	655	Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E. Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure Russian Journal of Coordination Chemistry, 2001, 27, 527-536
1567260	CIF	Cs H5 O6 P2	P 21 21 21	6.033; 6.444; 18.345 90; 90; 90	713.2	Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E. Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure Russian Journal of Coordination Chemistry, 2001, 27, 527-536
1567261	CIF	Cs H5 O6 P2	C 1 2/c 1	9.99; 12.197; 6.866 90; 118.14; 90	737.7	Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E. Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure Russian Journal of Coordination Chemistry, 2001, 27, 527-536
1567262	CIF	Cs H9 I2 O12	C 1 c 1	18.473; 5.439; 10.481 90; 99.73; 90	1037.9	Shilov, G. V.; Dobrovol'skii, Yu. A.; Chernyak, A. V.; Leonova, L. S.; Zyubina, T. S.; Romanchenko, E. V.; Atovmyan, L. O. Crystal Structure and Properties of Acid Salt of Orthoperiodic Acid CsH9I2O12 Russian Journal of Coordination Chemistry, 2001, 27, 786-790
1567263	CIF	F6 H4 N Na Ti	P b c n	8.034; 12.953; 10.755 90; 90; 90	1119.2	Popov, D. Yu.; Kavun, V. Ya.; Antokhina, T. F.; Gerasimenko, A. V.; Sergienko, V. I. Crystal Structure of NH4NaTiF6 and Internal Mobility of the Complex Anions Russian Journal of Coordination Chemistry, 2001, 27, 831-834
1567264	CIF	Cs F6 Li Ti	P b c n	9.251; 11.92; 10.271 90; 90; 90	1132.6	Popov, D. Yu.; Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Antokhina, T. F. Crystal Structures of LiCsTiF6 and Cs2TiF6 and Internal Mobility of Complex Anions Russian Journal of Coordination Chemistry, 2002, 28, 19-24
1567265	CIF	Cs2 F6 Ti	P -3 m 1	6.213; 6.213; 5.004 90; 90; 120	167.28	Popov, D. Yu.; Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Antokhina, T. F. Crystal Structures of LiCsTiF6 and Cs2TiF6 and Internal Mobility of Complex Anions Russian Journal of Coordination Chemistry, 2002, 28, 19-24
1567266	CIF	F11 H8 N2 Sb3	P -1	7.78; 8.37; 10.62 71.06; 89.03; 63.58	579.1	Udovenko, A. A.; Zemnukhova, L. A.; Gorbunova, Yu. E.; Mikhailov, Yu. N.; Davidovich, R. L. Crystal Structure of Ammonium Undecafluorotriantimonate(III) (NH4)2Sb3F11 Russian Journal of Coordination Chemistry, 2002, 28, 12-14
1567267	CIF	C12 H36 Mo4 N24 Te4 Zn3	P -4 3 n	12.721; 12.721; 12.721 90; 90; 90	2058.6	Kalinina, I. V.; Pervukhina, N. V.; Podberezskaya, N. V.; Fedin, V. P. Cubane Tellurido Clusters [Zn(NH3)4]3[Mo4Te4(CN)12] and [Cd(NH3)4]3[W4Te4(CN)12]: Syntheses and Crystal Structures Russian Journal of Coordination Chemistry, 2002, 28, 389-393
1567268	CIF	C12 H36 Cd3 N24 Te4 W4	P -4 3 n	12.809; 12.809; 12.809 90; 90; 90	2101.6	Kalinina, I. V.; Pervukhina, N. V.; Podberezskaya, N. V.; Fedin, V. P. Cubane Tellurido Clusters [Zn(NH3)4]3[Mo4Te4(CN)12] and [Cd(NH3)4]3[W4Te4(CN)12]: Syntheses and Crystal Structures Russian Journal of Coordination Chemistry, 2002, 28, 389-393
1567269	CIF	Al Co H38 Mo6 O40	P -1	6.796; 11.248; 11.568 101.36; 96.95; 102.23	835	Kaziev, G. Z.; Quinones, Saul O.; Bel'skii, V. K.; Zavodnik, V. I.; Osminkina, I. V.; De Ita, Antonio X-Ray Diffraction Analysis of Aluminum Hexamolybdenocobaltate(III) and Hexamolybdenocromate(III) Russian Journal of Coordination Chemistry, 2002, 28, 384-388
1567270	CIF	Al Cr H38 Mo6 O40	P -1	6.838; 11.312; 11.605 101.29; 97.13; 102.15	847.7	Kaziev, G. Z.; Quinones, Saul O.; Bel'skii, V. K.; Zavodnik, V. I.; Osminkina, I. V.; De Ita, Antonio X-Ray Diffraction Analysis of Aluminum Hexamolybdenocobaltate(III) and Hexamolybdenocromate(III) Russian Journal of Coordination Chemistry, 2002, 28, 384-388
1567271	CIF	Bi O6 W	P c a 21	5.4718; 16.3253; 5.4616 90; 90; 90	487.88	Pedanekar, R S.; Madake, S B.; Narewadikar, N A.; Mohite, S V.; Patil, A R.; Kumbhar, S M.; Rajpure, K Y. Photoelectrocatalytic degradation of rhodamine B by spray deposited Bi2WO6 photoelectrode under solar radiation Materials Research Bulletin, 2022, 147, 111639
1567272	CIF	D2 O	A 1 2/a 1	9.19256; 7.52147; 10.31017 90; 109.317; 90	672.728	Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L. Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition The Journal of Chemical Physics, 2021, 154, 134504
1567273	CIF	D2 O	P 1 21/a 1	9.24033; 7.46235; 10.29166 90; 109.768; 90	667.839	Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L. Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition The Journal of Chemical Physics, 2021, 154, 134504
1567274	CIF	C19 H15 F2 N O	P 1	5.5106; 7.7117; 9.6692 70.09; 86.972; 85.438	384.97	Liu, Zhen; Wei, Yin; Shi, Min A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes Catalysis Science & Technology, 2022, 12, 5325-5331
1567275	CIF	C17 H17 F2 N O	P 1 21/n 1	11.9237; 10.5309; 12.4165 90; 114.482; 90	1418.93	Liu, Zhen; Wei, Yin; Shi, Min A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes Catalysis Science & Technology, 2022, 12, 5325-5331
1567276	CIF	C232 H122 F16 N20 O48 S5 Y12	C m m m	40.568; 41.959; 19.6114 90; 90; 90	33382	Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks Chemical Science, 2022, 13, 9321-9328
1567277	CIF	C47.48 H22.51 F4 N3 O12.97 S Y3	C m m m	21.358; 35.038; 20.494 90; 90; 90	15337	Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks Chemical Science, 2022, 13, 9321-9328
1567278	CIF	C35 H52 O10	P n a 21	10.4486; 8.0259; 41.6406 90; 90; 90	3491.96	Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones Chemical Science, 2022
1567279	CIF	C42 H62 O12	I b a 2	48.93; 8.2077; 10.3345 90; 90; 90	4150.4	Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones Chemical Science, 2022
1567280	CIF	C30 H32.5 F1.5 N4 O5	P 1 21/c 1	9.5344; 23.7071; 24.8206 90; 99.04; 90	5540.6	Hazari, Amaruka; Sawaya, Michael R.; Vlahakis, Niko; Johnstone, Timothy C.; Boyer, David; Rodriguez, Jose; Eisenberg, David; Raskatov, Jevgenij A. The rippled β-sheet layer configuration—a novel supramolecular architecture based on predictions by Pauling and Corey Chemical Science, 2022
1567281	CIF	C35 H25 N3 O S2	P 1 21/c 1	5.737; 19.159; 24.68 90; 96.66; 90	2694	Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides Chemical Science, 2022