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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1565822	CIF	C23 H20 I N O2	P 1	8.7754; 8.8984; 12.8772 99.2233; 96.0361; 91.197	986.31	Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers Chemical Science, 2022, 13, 1030-1036
1565823	CIF	C33 H27 N O3	P 1	6.3151; 11.198; 17.7567 85.4422; 85.449; 86.8128	1246.24	Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers Chemical Science, 2022, 13, 1030-1036
1565833	CIF	C10 H14 O4	P 1 21 1	6.29835; 10.64131; 7.53892 90; 103.504; 90	491.31	Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen An organic plastic ferroelectric with high Curie point Chemical Science, 2022, 13, 748-753
1565834	CIF	C10 H14 O4	P 1 21 1	6.3879; 10.8484; 7.6137 90; 103.203; 90	513.67	Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen An organic plastic ferroelectric with high Curie point Chemical Science, 2022, 13, 748-753
1565835	CIF	C10 H11 Fe N4	I -4 3 m	17.1728; 17.1728; 17.1728 90; 90; 90	5064.3	López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis Chemical Science, 2022, 13, 842-847
1565836	CIF	C12 H14 Fe N4	I -4 3 m	17.317; 17.317; 17.317 90; 90; 90	5193	López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis Chemical Science, 2022, 13, 842-847
1565837	CIF	C25 H20 O4	P 61	17.6742; 17.6742; 11.6231 90; 90; 120	3144.36	Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade Chemical Science, 2022, 13, 1163-1168
1565838	CIF	C25 H22 O4	P 21 21 21	6.5263; 13.9032; 21.5712 90; 90; 90	1957.29	Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade Chemical Science, 2022, 13, 1163-1168
1565840	CIF	C22 H19 Cl5 N2 Zn	P 1 21/c 1	23.376; 10.6352; 20.2506 90; 106.848; 90	4818.4	Frye, Connor W.; Egger, Dominic T.; Kounalis, Errikos; Pearce, Adam J.; Cheng, Yukun; Tonks, Ian A. α-Diimine synthesis via titanium-mediated multicomponent diimination of alkynes with C-nitrosos Chemical Science, 2022, 13, 1469-1477
1565841	CIF	C51 H46 Eu N7 O15	P 1 21/c 1	10.2028; 20.5606; 27.5955 90; 94.989; 90	5766.9	Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties Polymer Chemistry, 2022, 13, 778-793
1565842	CIF	C51 H46 Gd N7 O15	P 1 21/c 1	10.1478; 20.3871; 27.1677 90; 95.103; 90	5598.3	Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties Polymer Chemistry, 2022, 13, 778-793
1565843	CIF	C51 H46 N7 O15 Tb	P 1 21/c 1	10.184; 20.5165; 27.539 90; 95.052; 90	5731.6	Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties Polymer Chemistry, 2022, 13, 778-793
1565906	CIF	C24 H29 N O3	C 1 2/c 1	32.9756; 9.2126; 13.7861 90; 101.232; 90	4107.88	Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines Chemical Science, 2022, 13, 775-780
1565907	CIF	C27 H27 N O3	C 1 c 1	5.7626; 21.7654; 36.032 90; 91.845; 90	4516.98	Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines Chemical Science, 2022, 13, 775-780
1565908	CIF	C23 H26 N2 O3	P 1 21 1	9.4239; 10.0699; 11.235 90; 103.712; 90	1035.79	Liang, Hui; Ji, Dong-Sheng; Xu, Guo-Qiang; Luo, Yong-Chun; Zheng, Haixue; Xu, Peng-Fei Metal-free, visible-light induced enantioselective three-component dicarbofunctionalization and oxytrifluoromethylation of enamines via chiral phosphoric acid catalysis Chemical Science, 2022, 13, 1088-1094
1565909	CIF	C12 H9 Br F N3 O	P 1 21 1	8.0916; 6.0738; 12.9097 90; 105.671; 90	610.89	Komatsuda, Masaaki; Suto, Ayane; Kondo, Hiroki; Takada, Hiroyuki; Kato, Kenta; Saito, Bunnai; Yamaguchi, Junichiro Ring-opening fluorination of bicyclic azaarenes Chemical Science, 2022, 13, 665-670
1565910	CIF	C16 H13 N O3	P 1 21/c 1	8.8242; 7.5306; 19.3128 90; 96.98; 90	1273.85	Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science, 2022, 13, 1478-1483
1565911	CIF	C13 H15 N O4	P 1 21/c 1	6.8237; 21.9249; 8.5663 90; 96.654; 90	1272.96	Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science, 2022, 13, 1478-1483
1565912	CIF	C22 H23 N O2	P 1 21/c 1	11.917; 7.3388; 20.1019 90; 92.932; 90	1755.74	Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science, 2022, 13, 1478-1483
1565913	CIF	C20 H21 N O2	P -1	6.9435; 11.9044; 21.0418 74.164; 85.968; 83.016	1659.59	Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science, 2022, 13, 1478-1483
1565914	CIF	C108 H128 Cl4 N12 O26	P 1 21/c 1	13.6939; 19.0018; 50.945 90; 90.412; 90	13256	Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science, 2022, 13, 798-803
1565915	CIF	C49 H57 Cl2 N6 O11.5	P -1	10.312; 20.687; 26.395 74.272; 81.268; 78.693	5285.6	Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science, 2022, 13, 798-803
1565916	CIF	C50 H52 F12 N6 O7 P2	P -1	9.22; 19.51; 20.82 62.99; 86.96; 78.01	3260	Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science, 2022, 13, 798-803
1565917	CIF	C102 H102 Cl2 N38 O25	P -1	14.5032; 23.2785; 23.8851 107.441; 93.266; 104.627	7366.6	Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science, 2022, 13, 798-803
1565922	CIF	C49 H37 B Cl2 O2	P 1 21/n 1	9.0213; 12.4023; 32.9897 90; 94.685; 90	3678.72	Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science, 2022, 13, 1484-1491
1565923	CIF	C63 H53 B Cl2 O2 Si2	P -1	9.1151; 12.6682; 21.4094 89.252; 84.01; 84.665	2448.02	Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science, 2022, 13, 1484-1491
1565924	CIF	C54 H37 B O2	P 1 21/c 1	18.5697; 12.0685; 16.8103 90; 95.339; 90	3751	Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science, 2022, 13, 1484-1491
1565925	CIF	C50 H35 B O2	P 1 21/c 1	12.1456; 15.8222; 35.8589 90; 98.879; 90	6808.4	Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science, 2022, 13, 1484-1491
1565926	CIF	C50 H59 Ni O9 P2	P 1 21/c 1	12.239; 20.228; 19.483 90; 99.971; 90	4750.6	Luu, Quang H.; Li, Junqi A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones Chemical Science, 2022, 13, 1095-1100
1565927	CIF	C45 H64 Ni O P2	P 1 21 1	9.0475; 18.2763; 12.7484 90; 105.437; 90	2032	Luu, Quang H.; Li, Junqi A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones Chemical Science, 2022, 13, 1095-1100
1565972	CIF	C20 H13 B Br N	P c a 21	22.958; 9.4271; 7.0146 90; 90; 90	1518.15	Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science, 2022, 13, 1136-1145
1565973	CIF	C33 H26 B N	P -1	6.6409; 12.0504; 15.9138 78.061; 78.902; 79.901	1210.42	Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science, 2022, 13, 1136-1145
1565974	CIF	C34 H30 B N	P 1 21/c 1	12.0461; 17.1985; 13.07 90; 109.463; 90	2553	Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science, 2022, 13, 1136-1145
1565978	CIF	C214 H136 Cl4 O4	P 1 2/c 1	16.922; 17.1293; 27.104 90; 100.952; 90	7713.3	Chen, Han; Xia, Zeming; Miao, Qian Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox Chemical Science, 2022, 13, 2280-2285
1565979	CIF	C148 H128 Cl14 O4	P -1	14.1531; 17.009; 17.275 93.079; 100.115; 110.482	3805.1	Chen, Han; Xia, Zeming; Miao, Qian Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox Chemical Science, 2022, 13, 2280-2285
1565980	CIF	C108 H62 Ca4 F8 O19	P -1	10.0419; 15.6393; 42.1081 92.477; 91.364; 91.427	6602.7	Wu, Zhao-Feng; Tan, Bin; Fu, Zhi-Hua; Velasco, Ever; Liu, Xing-Wu; Teat, Simon J.; Zhu, Kun; Xing, Kai; Huang, Xiao-Ying; Li, Jing Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor via water induced phase transformation Chemical Science, 2022, 13, 1375-1381
1565992	CIF	C80 H199 K4 O99.5 P2	P 42 21 2	23.4286; 23.4286; 24.2838 90; 90; 90	13329.4	Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science, 2022, 13, 2218-2225
1565993	CIF	C81 H195 K4 O96.5 P2	P 42 21 2	23.5333; 23.5333; 24.406 90; 90; 90	13516	Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science, 2022, 13, 2218-2225
1565994	CIF	C168 H443 K8 O213.5 P4	P 1 21 1	22.944; 13.9699; 44.772 90; 92.681; 90	14335	Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science, 2022, 13, 2218-2225
1565995	CIF	C82 H201.75 K4 O98.88 P2	P 43 21 2	23.3244; 23.3244; 48.784 90; 90; 90	26540	Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science, 2022, 13, 2218-2225
1566046	CIF	C16 H19 N O3 S	P 1	7.6588; 7.9714; 12.8907 99.211; 90.731; 99.142	766.39	Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science, 2022, 13, 1504-1511
1566047	CIF	C14 H20 O3 S	P 1 21/n 1	12.2921; 7.393; 15.8524 90; 103.199; 90	1402.54	Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science, 2022, 13, 1504-1511
1566048	CIF	C19 H20 O3 S	P 1 21/n 1	23.8127; 5.6108; 24.8367 90; 90.39; 90	3318.3	Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science, 2022, 13, 1504-1511
1566049	CIF	C20 H27 N O5	P 1 21/c 1	11.6377; 19.035; 18.0198 90; 107.936; 90	3797.8	Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science, 2022, 13, 1504-1511
1566079	CIF	C54.5 H65 Cl5 N12 O8 Pd4	C 1 2/c 1	39.352; 14.1869; 22.175 90; 96.411; 90	12303	Zhang, Shuaizhong; Zhang, Jinquan; Zou, Hongbin C(sp3)–H oxygenation via alkoxypalladium(ii) species: an update for the mechanism Chemical Science, 2022, 13, 1298-1306
1566110	CIF	C6 H21 Cu F6 N5 Si	P 1 21/n 1	8.9945; 9.6067; 15.7357 90; 91.46; 90	1359.24	Lavrenyuk, Helen; Mykhalichko, Borys; Dziuk, Błażej; Olijnyk, Volodymyr; Mykhalichko, Oleg A new copper(II) chelate complex with polyamines as fire retardant and epoxy hardener: Synthesis, crystal and electronic structure, and thermal behavior of (ethylenediamine-N,N′)-(diethylenetriamine-N,N′,N″)-copper(II) hexafluoridosilicate Arabian Journal of Chemistry, 2020, 13, 3060-3069
1566151	CIF	C29 H49 B Br N3	P n a 21	16.6843; 10.1022; 17.8126 90; 90; 90	3002.3	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566152	CIF	C29 H49 B Cl N3	P n a 21	16.7035; 10.08; 17.6907 90; 90; 90	2978.6	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566153	CIF	C29 H49 Al B Br3 N6	P b c a	18.3035; 18.6688; 41.8373 90; 90; 90	14296	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566154	CIF	C58 H98 Al2 B2 Br8 N6	P -1	9.5926; 18.3489; 22.4133 109.017; 98.006; 96.256	3642.84	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566155	CIF	C35 H57 Al B Br4 N3	P -1	9.7709; 20.3965; 21.6332 91.982; 100.812; 98.869	4175.2	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566156	CIF	C41 H61 Al B Br4 N3	P -1	10.2658; 15.817; 15.9702 65.411; 78.295; 80.201	2298.2	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566157	CIF	C33 H59 Al B Br4 N5 Si	P -1	11.9613; 13.4134; 15.2453 109.98; 104.192; 102.755	2100.41	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566158	CIF	C31 H52 Al B Br4 N4	I 1 2/a 1	11.781; 15.9628; 41.3531 90; 93.4263; 90	7762.9	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566159	CIF	C41 H65 Al B Br4 Cl3 N4 O	P 1 21/n 1	12.64878; 21.8402; 19.4954 90; 106.767; 90	5156.68	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566160	CIF	C54 H77 Al B Br4 N5	P -1	14.3058; 14.4769; 14.7822 82.612; 72.27; 89.201	2890.8	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309
1566188	CIF	C8 H7 N O2	P 21 21 21	5.862; 7.712; 14.907 90; 90; 90	673.9	Sasikumar, Devika; Vinod, Kavya; Sunny, Jeswin; Hariharan, Mahesh Exciton interactions in helical crystals of a hydrogen-bonded eumelanin monomer Chemical Science, 2022, 13, 2331-2338
1566247	CIF	C15 H17 N3 O5 S	P 1 21 1	6.5937; 22.424; 10.7128 90; 97.951; 90	1568.7	Rigotti, Thomas; Schwinger, Daniel P.; Graßl, Raphaela; Jandl, Christian; Bach, Thorsten Enantioselective crossed intramolecular [2+2] photocycloaddition reactions mediated by a chiral chelating Lewis acid Chemical Science, 2022, 13, 2378-2384
1566266	CIF	C25 H23 N3 O7 S	P 1 21 1	7.5832; 15.8833; 10.5856 90; 104.429; 90	1234.78	Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science, 2022, 13, 2317-2323
1566267	CIF	C25 H21 N3 O7 S	P -1	7.2994; 8.0887; 21.2887 91.614; 94.807; 100.145	1231.76	Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science, 2022, 13, 2317-2323
1566268	CIF	C25 H24 N2 O5 S	P 1 21/c 1	14.60983; 31.1413; 10.11618 90; 91.553; 90	4600.86	Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science, 2022, 13, 2317-2323
1566274	CIF	C24 H18 Fe O2	F d d 2	11.3424; 25.8718; 11.9601 90; 90; 90	3509.67	Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science, 2022, 13, 2877-2883
1566275	CIF	C69 H75 Cl9 Fe3 N6 O0.39	P -1	13.1378; 16.3059; 19.0267 97.399; 93.732; 113.532	3675.33	Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science, 2022, 13, 2877-2883
1566276	CIF	C113 H114 Cl18 Fe3 N6	P -1	16.0318; 17.0394; 21.0388 102.395; 99.882; 91.283	5519.49	Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science, 2022, 13, 2877-2883
1566277	CIF	C75 H58 Fe3 N8 O0.5	P -1	10.8575; 16.0366; 19.8722 107.932; 90.985; 106.814	3129.76	Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science, 2022, 13, 2877-2883
1566278	CIF	C187 H120 F9 N62 Nd O57.5 S3 Zn16	P 4/n c c :2	29.7978; 29.7978; 27.541 90; 90; 90	24453.9	Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range. Chemical science, 2022, 13, 2919-2931
1566279	CIF	C187 H124.5 F9 N56 O47 S3 Yb Zn16	P 4/n c c :2	30.0778; 30.0778; 26.9277 90; 90; 90	24360.8	Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range. Chemical science, 2022, 13, 2919-2931
1566308	CIF	C37 H32 B P S	C 1 c 1	20.883; 8.704; 19.093 90; 123.59; 90	2891	Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938
1566309	CIF	C21 H16 B N S	P 1 21/c 1	8.8; 10.843; 17.829 90; 99.74; 90	1676.7	Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938
1566310	CIF	C44.25 H33.51 B2 N3 S2	P -1	10.278; 12.065; 16.702 92.946; 107.906; 114.158	1760.3	Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938
1566311	CIF	C41 H37 B2 N3 S2 Si	P -1	9.9577; 12.2845; 16.579 100.823; 90.407; 112.635	1831.5	Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938
1566312	CIF	C36 H30 B2 S2	C 1 2/c 1	14.644; 11.056; 17.829 90; 94.9; 90	2876	Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938
1566313	CIF	C32 H22 B2 S2	P 1 21 1	11.4201; 17.9796; 12.1277 90; 90.12; 90	2490.16	Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938
1566314	CIF	C19 H17 B S	P 1 21/c 1	13.289; 30.28; 7.763 90; 93.3; 90	3119	Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938
1566315	CIF	C38 H26 B2 N4 O2 S2	P 1 21/n 1	13.299; 18.859; 13.574 90; 112.808; 90	3138.2	Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938
1566316	CIF	C13 H7 F5 O2	P 1 21/n 1	6.327; 26.441; 7.0232 90; 95.01; 90	1170.4	Gerthoffer, Margaret C.; Xu, Bohan; Wu, Sikai; Cox, Jordan; Huss, Steven; Oburn, Shalisa M.; Lopez, Steven A.; Crespi, Vincent H.; Badding, John V.; Elacqua, Elizabeth Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals Polymer Chemistry, 2022, 13, 1359-1368
1566317	CIF	C13 H7 F5 O2	P -1	5.9872; 7.934; 13.242 105.378; 99.982; 94.446	592.3	Gerthoffer, Margaret C.; Xu, Bohan; Wu, Sikai; Cox, Jordan; Huss, Steven; Oburn, Shalisa M.; Lopez, Steven A.; Crespi, Vincent H.; Badding, John V.; Elacqua, Elizabeth Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals Polymer Chemistry, 2022, 13, 1359-1368
1566331	CIF	C24 H29 N O6	P 1 21 1	8.4222; 8.6086; 15.573 90; 93.674; 90	1126.77	You, Shiqi; Ruan, Mengyao; Lu, Cuifen; Liu, Li; Weng, Yue; Yang, Guichun; Wang, Shengchun; Alhumade, Hesham; Lei, Aiwen; Gao, Meng Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules Chemical Science, 2022, 13, 2310-2316
1566332	CIF	C68 H146 Cr Mo6 N3 O32	P 1 21/c 1	27.8416; 13.6571; 25.0139 90; 92.128; 90	9504.6	Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids. Chemical science, 2022, 13, 2891-2899
1566333	CIF	C26 H55 N O13.5 V3	P 1 21/c 1	13.052; 13.4949; 20.5929 90; 104.803; 90	3506.8	Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids. Chemical science, 2022, 13, 2891-2899
1566334	CIF	C34.67 H59 B N2 Ni P2	P 1 21/c 1	23.1838; 26.0619; 17.536 90; 101.639; 90	10377.6	Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404
1566335	CIF	C30 H50 P2 Pd Si	P -1	9.5911; 9.8051; 19.1276 90.444; 94.813; 117.164	1592.59	Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404
1566336	CIF	C50 H94 B2 N6 Ni2 P4	P -1	10.5516; 11.9228; 13.7755 103.985; 111.062; 90.654	1560	Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404
1566337	CIF	C26 H47 B N2 O2 P2 Pd	P 1 21/c 1	12.5308; 15.0351; 15.989 90; 103.614; 90	2927.72	Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404
1566338	CIF	C32 H52 B Cl N2 Ni P2	R -3 c :H	26.0265; 26.0265; 26.0801 90; 90; 120	15299.3	Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404
1566339	CIF	C25 H47 B N2 P2 Pd	P b c a	11.9139; 14.4308; 32.1655 90; 90; 90	5530.12	Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404
1566341	CIF	C22 H23 Cl2 F6 N3 P Rh	P 1 21/c 1	12.804; 13.813; 13.807 90; 95.465; 90	2431	Angoy, Marta; Jiménez, M. Victoria; Lahoz, Fernando J.; Vispe, Eugenio; Pérez-Torrente, Jesús J. Polymerization of phenylacetylene catalyzed by rhodium(i) complexes with N-functionalized N-heterocyclic carbene ligands Polymer Chemistry, 2022, 13, 1411-1421
1566346	CIF	C52 H77 B2 Na O6	P 1 21/c 1	12.5628; 13.3264; 15.5838 90; 106.231; 90	2505	Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science, 2022, 13, 3009-3013
1566347	CIF	C55 H65 B2 Cu N2	C 1 2/c 1	13.312; 19.989; 17.2387 90; 96.574; 90	4556.9	Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science, 2022, 13, 3009-3013
1566348	CIF	C55 H65 Ag B2 N2	C 1 2/c 1	13.3073; 20.5224; 17.1012 90; 96.418; 90	4641	Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science, 2022, 13, 3009-3013
1566349	CIF	C55 H65 Au B2 N2	P b c a	21.161; 17.679; 25.912 90; 90; 90	9694	Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science, 2022, 13, 3009-3013
1566369	CIF	C19 H24 O3	P 21 21 21	9.16551; 10.4822; 17.5734 90; 90; 90	1688.36	Wang, Jianhua; Li, Xiaoxun Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis. Chemical science, 2022, 13, 3020-3026
1566406	CIF	C10 H11 Cl F N O2	P 21 21 21	5.1224; 8.268; 24.1637 90; 90; 90	1023.38	Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide. Chemical science, 2022, 13, 3027-3034
1566407	CIF	C22 H18 Cl F7 N4 O2 S	P 1 21/n 1	9.4276; 19.5575; 50.822 90; 93.634; 90	9351.7	Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide. Chemical science, 2022, 13, 3027-3034
1566598	CIF	C33 H43 Cl2 Cr N2 O2	P -1	16.326; 16.389; 16.464 70.953; 89.935; 71.859	3932.2	Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO Polymer Chemistry, 2022, 13, 1852-1860
1566599	CIF	C31 H37 Cl2 Cr F2 N2 O2	P 1 21/c 1	14.4764; 14.5398; 15.5208 90; 109.539; 90	3078.75	Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO Polymer Chemistry, 2022, 13, 1852-1860
1566739	CIF	C17 H15 N O2	P 21 21 21	6.562; 14.232; 14.4563 90; 90; 90	1350.1	Kim, Alexia N.; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M. Iridium-catalyzed asymmetric trans-selective hydrogenation of 1,3-disubstituted isoquinolines Chemical Science, 2022, 13, 3227-3232
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
1567283	CIF	C15 H16 N2 O2	P 1 21/m 1	8.4884; 6.7183; 11.755 90; 108.39; 90	636.1	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567284	CIF	C30 H40 Cu F6 N8 P	I 1 2/a 1	22.442; 10.441; 41.64 90; 91.84; 90	9752	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567285	CIF	C16 H23 N5	P n a 21	15.194; 11.576; 8.9945 90; 90; 90	1582	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567286	CIF	C32 H40 Cu F6 N8 O6 S2	P -1	10.318; 12.507; 16.034 98.43; 95.28; 113.19	1855.7	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567287	CIF	C31 H40 Cu F3 N8 O3 S	I 1 2/a 1	22.769; 10.613; 42.709 90; 90.75; 90	10320	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567288	CIF	C18 H26 N4	P -1	6.8997; 10.446; 12.234 103.63; 98.86; 93.79	841.9	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567289	CIF	C36 H46 B2 Cu F8 N10 O4	P 1 21/c 1	13.585; 25.27; 12.065 90; 91.75; 90	4139.9	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567290	CIF	C41 H58 Cl2 Cu F6 N8 P	P -1	13.117; 13.265; 15.609 73.5; 76.04; 61.06	2261.4	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567291	CIF	C32 H40 Cu F6 N8 O4 P	P 1 21/c 1	7.76; 13.9; 32.3 90; 92.6; 90	3480.4	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567292	CIF	C15 H20 N4	P -1	6.8391; 14.447; 15.756 64.51; 89.05; 86.95	1403.2	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567293	CIF	C32 H46 B Cu F4 N10	P 1 21/c 1	11.779; 19.544; 15.389 90; 94.9; 90	3529.7	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567294	CIF	C30 H40 B2 Cu F8 N8	P 1 21/c 1	17.171; 8.9412; 22.701 90; 108.94; 90	3296.6	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567295	CIF	C42 H56 Cu F6 N8 O6 S2	P b c n	12.407; 21.571; 16.723 90; 90; 90	4475.6	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567296	CIF	C38 H46 Cu F6 N10 O10 S2	P 1 21/c 1	13.547; 12.641; 26.447 90; 93.99; 90	4518	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567297	CIF	C34 H46 Cu F6 N10 O6 S2	P b c a	12.27; 19.141; 36.523 90; 90; 90	8578	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567298	CIF	C78 H176 O25 Rb2 Si6 U2	P 1 21/n 1	14.04416; 29.0153; 27.517 90; 91.0486; 90	11211.2	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567299	CIF	C72 H162 O25 Rb Si6 U2	P -1	13.7997; 16.508; 25.0252 71.888; 81.133; 71.005	5114.5	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567300	CIF	C72 H162 Na O25 Si6 U2	P 1 21 1	13.8302; 31.0949; 14.0653 90; 118.148; 90	5333.4	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567301	CIF	C79 H170 Cs2 O26 Si6 U2	P -1	14.3992; 14.5329; 30.7352 88.132; 79.13; 60.661	5492.7	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567302	CIF	C86 H178 O26 Rb2 Si6 U2	P -1	14.484; 17.573; 25.4883 79.6962; 89.4157; 67.026	5863.83	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567303	CIF	C72 H162 Cs4 N2 O25 Si6 U2	P -1	14.2492; 30.7972; 30.9557 115.848; 95.2709; 98.8528	11885.2	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567304	CIF	C72 H162 N2 O25 Rb2 Si6 U2	P 1	14.0149; 17.5229; 24.7263 83.4471; 83.4537; 70.099	5654	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567305	CIF	C72 H162 Cs2 O25 Si6 U2	I 41/a :2	25.3833; 25.3833; 65.6666 90; 90; 90	42309.8	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567306	CIF	C38 H48 N2 O2	P -1	10.0611; 11.5414; 15.8166 77.316; 74.707; 65.801	1602.9	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567307	CIF	C46 H64 N2 O2	I 1 2/m 1	13.809; 8.7376; 17.19 90; 99.585; 90	2045.1	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567308	CIF	C18 H10 O2 S	P 1 21/c 1	7.0219; 20.7503; 17.221 90; 91.096; 90	2508.8	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567309	CIF	C38 H48 N2 O2	P -1	6.142; 9.094; 15.431 106.415; 93.806; 97.936	813.8	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567310	CIF	C30 H28 O2 S	P c a 21	19.7648; 7.4276; 16.1962 90; 90; 90	2377.7	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567311	CIF	C31 H24 O2 S	P b c n	15.4383; 20.371; 7.3501 90; 90; 90	2311.6	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567312	CIF	C54 H84 Cl Cr N2 O5	C 1 2/c 1	27.514; 12.1313; 32.252 90; 99.556; 90	10615.7	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567313	CIF	C48.5 H34 F10 Ir N4 O2 P	P -1	12.373; 19.541; 21.137 63.579; 75.787; 71.958	4317	Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S. Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges Chemical Science, 2022, 13, 8804-8812
1567314	CIF	C55 H39 F10 Ir N4 O4 P	P -1	12.0293; 13.6426; 15.8219 79.16; 81.948; 71.953	2415.43	Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S. Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges Chemical Science, 2022, 13, 8804-8812
1567315	CIF	C50 H30 F10 Ir N4 O4 P	P -1	11.885; 13.195; 16.517 105.127; 97.59; 101.773	2400.4	Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S. Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges Chemical Science, 2022, 13, 8804-8812
1567326	CIF	C33 H23 B F5 O2 S3	P -1	7.3149; 8.4664; 25.63 93.482; 94.312; 100.726	1550.6	Li, Ziyong; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Shuren; Chen, Si; Zhou, Hui; Yang, Xiao-Gang Green-/NIR-light-controlled rapid photochromism featuring reversible thermally activated delayed fluorescence and photoelectronic switching Chemical Science, 2022, 13, 9381-9386
1567327	CIF	C35 H48 Au F6 N4 O6 Sb	P -1	11.63; 12.52; 15.71 76.35; 72.58; 65.54	1970	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567328	CIF	C14 H18 O3	P 21 21 21	6.3989; 7.1432; 27.0217 90; 90; 90	1235.12	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567329	CIF	C37.26 H44.26 F6 I0.11 N4 O0.89 Sb	P 1 21/n 1	12.29; 16.44; 19.22 90; 101.35; 90	3807	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567330	CIF	C31 H38 Au Cl N4	P 1 21/n 1	9.9684; 23.6287; 12.9108 90; 101.309; 90	2982	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567331	CIF	C37 H46 Cl N5 O2	P 1 21/c 1	11.589; 11.486; 26.6 90; 97.78; 90	3508	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567332	CIF	C32 H42 Au Cl N5 O0.46	P -1	9.426; 12.481; 15.289 108.17; 91.2; 110.83	1580	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567333	CIF	C35 H50 Au Cl2 F6 N4 O2 Sb	P -1	12.502; 15.3475; 22.3529 83.846; 81.645; 79.159	4153.6	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567334	CIF	C46 H55 Au Cl N5 O	P -1	12.25; 15.5; 23.22 89.58; 84.7; 85.16	4374	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567335	CIF	C72 H82 Au2 F12 N10 Sb2	P b c n	25.668; 11.721; 25.249 90; 90; 90	7596	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567336	CIF	C42 H45 Au F6 N5 Sb	P 1 21/n 1	17.0009; 11.783; 19.9923 90; 98.26; 90	3963.3	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567337	CIF	C67 H88 Au2 Cl2 F12 N8 O Sb2	P 1 21/c 1	16.5318; 17.9336; 25.9388 90; 107.017; 90	7353.5	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567338	CIF	C167 H215 Au4 B4 Cl4 F16 N21 O9	P -1	16.4149; 23.5323; 24.8306 64.105; 80.992; 81.246	8484.1	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567382	CIF	C11 H8 Au Br F4 N2	P 1 21/c 1	14.0862; 15.4831; 12.9171 90; 106.586; 90	2700	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567383	CIF	C11 H8 Au Br F4 N2	P n m a	12.9752; 6.8244; 15.5938 90; 90; 90	1380.8	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567384	CIF	C11 H8 Au Br F4 N2	P n m a	12.9715; 6.8326; 15.6063 90; 90; 90	1383.17	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567385	CIF	C11 H8 Au Br F4 N2	P 1 21/c 1	14.0976; 15.4992; 12.9484 90; 106.584; 90	2711.56	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567386	CIF	C11 H8 Au Br F4 N2	P 1 21/c 1	7.685; 15.3186; 12.9425 90; 120.622; 90	1311.16	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567387	CIF	C11 H8 Au Br F4 N2	P 1 21/c 1	7.6985; 15.3528; 12.9738 90; 120.533; 90	1320.79	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567393	CIF	C20 H24 Fe O6	P 1 2/c 1	34.6729; 5.8345; 19.159 90; 106.03; 90	3725.1	Oberle, Kjersti G.; Whitman, Elizabeth L.; Jolly, Charles S.; Webster, Katherine A.; Marx, Benjamin S.; Howard, Christopher M.; Hanger, Clara A.; Ramey, Erin E.; Zou, Yutong; Lowe, Jared C.; Turlington, Mark; Turlington, Christopher R. Metallopolymers in minutes via organocatalysis at room temperature Polymer Chemistry, 2022, 13, 4747-4751
1567397	CIF	C18 H27 O7 P	P 21 21 21	6.3864; 7.8416; 39.8125 90; 90; 90	1993.79	Ren, Xinkun; Chandgude, Ajay L.; Carminati, Daniela M.; Shen, Zhuofan; Khare, Sagar D.; Fasan, Rudi Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases Chemical Science, 2022, 13, 8550-8556
1567398	CIF	C43 H67 Br2 Mn N7 O Si2	P b c a	16.5285; 17.378; 34.2234 90; 90; 90	9830.06	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical Chemical Science, 2022, 13, 8634-8641
1567399	CIF	C48 H65 Mn N7 O3 Si2	P 1 21 1	10.1252; 18.0882; 13.3966 90; 103.606; 90	2384.69	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical Chemical Science, 2022, 13, 8634-8641
1567400	CIF	C45 H75 Mn N7 P2 Si2	P 1 21 1	9.522; 18.7589; 13.6576 90; 97.022; 90	2421.25	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical Chemical Science, 2022, 13, 8634-8641
1567401	CIF	C48 H82 Mn N7 P2 Si2	P 1 21/c 1	13.5113; 13.8328; 28.2254 90; 92.402; 90	5270.67	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical Chemical Science, 2022, 13, 8634-8641
1567402	CIF	C37 H30 Cl2 F18 Mo N2 O4	P -1	11.8411; 12.4718; 15.3713 80.252; 81.208; 66.112	2036.64	Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R. Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts Chemical Science, 2022, 13, 8649-8656
1567403	CIF	C53 H44 Al Cl F41 Mo N2 O7	P -1	12.9654; 13.8876; 19.3009 79.898; 78.994; 86.057	3356.2	Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R. Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts Chemical Science, 2022, 13, 8649-8656
1567414	CIF	C26 H18 N2 O3	P 1 21 1	6.3457; 12.49324; 29.7405 90; 93.4861; 90	2353.41	Li, Ao; Gao, Yang; Lu, Jian-Bin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun Asymmetric higher-order [10 + n] cycloadditions of palladium-containing 10π-cycloaddends Chemical Science, 2022, 13, 9265-9270
1567415	CIF	C48 H70 Al Fe N2	P 1 21/n 1	16.196; 12.016; 23.162 90; 93.907; 90	4497	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567416	CIF	C45 H61 Al Fe I2 N2	P 1 21/c 1	16.6116; 14.202; 20.0432 90; 103.503; 90	4597.8	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567417	CIF	C104 H146 Al2 Fe2 I2 N4	P 1 21/n 1	16.797; 16.275; 19.697 90; 112.357; 90	4980	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567418	CIF	C96 H136 Al2 Fe2 I2 N4	P -1	15.8692; 16.9522; 18.67859 112.089; 93.6385; 100.472	4530.35	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567419	CIF	C97 H130 Al2 Fe2 I2 N4	P 1 21/n 1	22.1651; 19.7884; 23.3393 90; 113.136; 90	9413.59	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567420	CIF	C96 H136 Al2 Fe2 N4	P 1 21/n 1	15.996; 29.021; 19.433 90; 91.562; 90	9018	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567421	CIF	C90 H122 Al2 Fe2 N4	P 1 21/c 1	19.856; 14.8; 29.131 90; 105.079; 90	8266	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567422	CIF	C32 H24 N2 O2 S2	P b c a	14.187; 13.429; 27.488 90; 90; 90	5237	Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers Chemical Science, 2022, 13, 9552-9559
1567423	CIF	C32 H24 N2 O2 S2	P -1	4.88; 10.531; 12.724 105.72; 91.51; 99.05	620	Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers Chemical Science, 2022, 13, 9552-9559
1567425	CIF	C21 H24 O4 S	P 1 21 1	11.826; 7.8223; 12.199 90; 118.99; 90	987.1	He, Fu-Sheng; Zhang, Chun; Jiang, Minghui; Lou, Lujun; Wu, Jie; Ye, Shengqing Access to chiral β-sulfonyl carbonyl compounds via photoinduced organocatalytic asymmetric radical sulfonylation with sulfur dioxide Chemical Science, 2022, 13, 8834-8839
1567429	CIF	C20 H12 Cl4 N8 Na2 O14 Pd	P b c a	9.2426; 18.4473; 35.708 90; 90; 90	6088.3	Panja, Subir; Ahsan, Salman; Pal, Tanay; Kolb, Simon; Ali, Wajid; Sharma, Sulekha; Das, Chandan; Grover, Jagrit; Dutta, Arnab; Werz, Daniel B.; Paul, Amit; Maiti, Debabrata Non-directed Pd-catalysed electrooxidative olefination of arenes Chemical Science, 2022, 13, 9432-9439
1567439	CIF	C25 H40 N2 O4	P -1	9.3339; 9.6044; 14.535 81.54; 78.191; 89.814	1261.1	Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array Chemical Science, 2022, 13, 9614-9623
1567440	CIF	C23 H40 N2 O5	C 1 2 1	37.83; 4.929; 12.845 90; 97.014; 90	2377	Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array Chemical Science, 2022, 13, 9614-9623

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