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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
4131750	CIF	C32 H32 Cl4 N4 O8 Pb2	P 1 21/c 1	13.4033; 7.6867; 17.4828 90; 92.257; 90	1799.8	Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors. Journal of the American Chemical Society, 2018, 140, 2805-2811
4131751	CIF	C16 H18 Cl6 N2 O5 Pb3	P 21 21 21	4.3181; 22.051; 25.387 90; 90; 90	2417.3	Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors. Journal of the American Chemical Society, 2018, 140, 2805-2811
4131752	CIF	C16 H22 O9	P 21 21 21	9.9474; 10.9082; 15.4415 90; 90; 90	1675.53	Zhao, Jin-Xin; Yu, Yan-Yan; Wang, Sha-Sha; Huang, Su-Ling; Shen, Yu; Gao, Xin-Hua; Sheng, Li; Li, Jing-Ya; Leng, Ying; Li, Jia; Yue, Jian-Min Structural Elucidation and Bioinspired Total Syntheses of Ascorbylated Diterpenoid Hongkonoids A-D. Journal of the American Chemical Society, 2018, 140, 2485-2492
4131801	CIF	C68 H98 F6 N2 O Sb	P 1	9.311; 13.035; 14.124 98.484; 93.383; 96.918	1678	Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 2018, 140, 2546-2554
4131802	CIF	C54 H74 Br6.12 N2	P 1 2/c 1	15.4517; 9.0569; 20.8129 90; 105.163; 90	2811.2	Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 2018, 140, 2546-2554
4131803	CIF	C54 H74 N2	P 1 21/n 1	10.7485; 13.164; 17.4642 90; 104.046; 90	2397.18	Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 2018, 140, 2546-2554
4131804	CIF	C70 H94 N2	P 1	12.3025; 16.8211; 18.2404 90.61; 100.148; 99.052	3666.5	Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 2018, 140, 2546-2554
4131805	CIF	C64 H90 N2	P 1	9.242; 9.965; 15.328 94.187; 93.093; 95.429	1398.9	Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 2018, 140, 2546-2554
4131806	CIF	C54 H74 F12 N2 Sb2	P 1 21/c 1	15.2342; 9.4798; 23.3954 90; 106.598; 90	3237.9	Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 2018, 140, 2546-2554
4131807	CIF	C64 H90 N2	P 1	9.1599; 9.876; 15.304 95.2; 94.29; 92.92	1372.6	Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 2018, 140, 2546-2554
4131808	CIF	C70 H76 Cl4 N6 O4	P 1 21/n 1	9.8881; 21.821; 18.424 90; 92.142; 90	3972.5	Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 2018, 140, 2546-2554
4131823	CIF	C342 H334 Cl16 Co8 N72 O29	R -3 :H	33.0793; 33.0793; 34.2247 90; 90; 120	32432.7	Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D. Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis. Journal of the American Chemical Society, 2018, 140, 2821-2828
4131824	CIF	C174 H170 B0.5 Co4 F2 I7.5 N36 O14	C 1 2/c 1	32.939; 29.973; 40.4 90; 96.126; 90	39658	Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D. Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis. Journal of the American Chemical Society, 2018, 140, 2821-2828
4131826	CIF	C17 H26 F6 Fe N4 O7 S2	P n a 21	17.9397; 10.0271; 13.5393 90; 90; 90	2435.5	Fan, Ruixi; Serrano-Plana, Joan; Oloo, Williamson N.; Draksharapu, Apparao; Delgado-Pinar, Estefanía; Company, Anna; Martin-Diaconescu, Vlad; Borrell, Margarida; Lloret-Fillol, Julio; García-España, Enrique; Guo, Yisong; Bominaar, Emile L.; Que, Jr, Lawrence; Costas, Miquel; Münck, Eckard Spectroscopic and DFT Characterization of a Highly Reactive Nonheme Fe<sup>V</sup>-Oxo Intermediate. Journal of the American Chemical Society, 2018, 140, 3916-3928
4131827	CIF	C38 H39 F3 N6 O8 S Zn2	P -1	10.0025; 12.9467; 16.8634 80.333; 76.467; 84.106	2088.44	White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases. Journal of the American Chemical Society, 2018, 140, 2562-2574
4131828	CIF	C44 H51 F3 Fe2 N6 O9 S	P -1	9.95848; 13.0629; 18.7207 97.0851; 97.0567; 95.8092	2381.61	White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases. Journal of the American Chemical Society, 2018, 140, 2562-2574
4131830	CIF	C63 H75.66 Nd O3.33	P 1 21/c 1	11.4694; 36.8012; 11.974 90; 106.846; 90	4837.2	Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes. Journal of the American Chemical Society, 2018, 140, 2587-2594
4131831	CIF	C81 H112 K N2 Nd O10	P 21 3	19.894; 19.894; 19.894 90; 90; 90	7873	Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes. Journal of the American Chemical Society, 2018, 140, 2587-2594
4131832	CIF	C91 H141 Hf3 N9 O25	P 4/m n c	18.8699; 18.8699; 33.0822 90; 90; 90	11779.7	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131833	CIF	C88 H72 Hf6 O32	P 4/m n c	19.5041; 19.5041; 32.072 90; 90; 90	12200.5	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131834	CIF	C88 H72 Hf6 O32	P 4/m n c	19.4378; 19.4378; 32.104 90; 90; 90	12129.8	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131835	CIF	C88 H72 Hf6 O32	P 4/m n c	19.3567; 19.3567; 32.036 90; 90; 90	12003	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131836	CIF	C88 H72 Hf6 O32	P 4/m n c	19.465; 19.465; 32.371 90; 90; 90	12265	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131837	CIF	C88 H72 Hf6 O32	P 4/m n c	19.343; 19.343; 32.3072 90; 90; 90	12087.8	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131838	CIF	C88 H72 Hf6 O32	P 4/m n c	19.3785; 19.3785; 32.523 90; 90; 90	12213.2	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131839	CIF	C88 H72 Hf6 O32	P 4/m n c	19.177; 19.177; 32.827 90; 90; 90	12072	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131840	CIF	C88 H72 Hf6 O32	P 4/m n c	19.1867; 19.1867; 32.543 90; 90; 90	11980	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131841	CIF	C88 H72 Hf6 O32	P 4/m n c	19.1631; 19.1631; 32.547 90; 90; 90	11952.1	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131842	CIF	C88 H72 Hf6 O32	P 4/m n c	19.082; 19.082; 32.674 90; 90; 90	11897.3	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131843	CIF	C88 H72 Hf6 O32	P 4/m n c	18.9396; 18.9396; 32.817 90; 90; 90	11771.7	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131844	CIF	C88 H72 Hf6 O32	P 4/m n c	19.079; 19.079; 32.905 90; 90; 90	11978	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131845	CIF	C88 H72 Hf6 O32	P 4/m n c	18.932; 18.932; 33.138 90; 90; 90	11877.3	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131846	CIF	C88 H72 Hf6 O32	P 4/m n c	18.8445; 18.8445; 32.896 90; 90; 90	11681.9	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131847	CIF	C88 H72 Hf6 O32	P 4/m n c	18.243; 18.243; 33.845 90; 90; 90	11264	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131848	CIF	C46 H34 O16 Zr3	P 4/m n c	19.0173; 19.0173; 32.8783 90; 90; 90	11890.7	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131849	CIF	C46 H34 O16 Zr3	P 4/m n c	19.4481; 19.4481; 32.575 90; 90; 90	12321	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131850	CIF	C46 H34 O16 Zr3	P 4/m n c	19.3348; 19.3348; 32.768 90; 90; 90	12250	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131851	CIF	C46 H34 O16 Zr3	P 4/m n c	19.188; 19.188; 32.964 90; 90; 90	12137	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131852	CIF	C46 H34 O16 Zr3	P 4/m n c	19.1326; 19.1326; 33.039 90; 90; 90	12094	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131853	CIF	C46 H34 O16 Zr3	P 4/m n c	18.9366; 18.9366; 32.864 90; 90; 90	11784.9	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131854	CIF	C46 H34 O16 Zr3	P 4/m n c	19.1146; 19.1146; 33.047 90; 90; 90	12074	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131855	CIF	C46 H34 O16 Zr3	P 4/m n c	19.0765; 19.0765; 33.061 90; 90; 90	12031	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131856	CIF	C46 H34 O16 Zr3	P 4/m n c	19.037; 19.037; 33.159 90; 90; 90	12017	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131857	CIF	C46 H34 O16 Zr3	P 4/m n c	19.0243; 19.0243; 33.174 90; 90; 90	12006	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131858	CIF	C46 H34 O16 Zr3	P 4/m n c	19.041; 19.041; 33.134 90; 90; 90	12013	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131859	CIF	C46 H34 O16 Zr3	P 4/m n c	19.0375; 19.0375; 33.133 90; 90; 90	12008	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131860	CIF	C46 H34 O16 Zr3	P 4/m n c	19.0042; 19.0042; 33.152 90; 90; 90	11973	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131861	CIF	C46 H34 O16 Zr3	P 4/m n c	18.779; 18.779; 33.087 90; 90; 90	11668	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131862	CIF	C46 H34 O16 Zr3	P 4/m n c	18.8806; 18.8806; 33.2413 90; 90; 90	11849.8	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131863	CIF	C46 H34 O16 Zr3	P 4/m n c	18.9111; 18.9111; 33.1966 90; 90; 90	11872.1	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131864	CIF	C46 H34 O16 Zr3	P 4/m n c	18.9092; 18.9092; 33.2222 90; 90; 90	11878.9	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131865	CIF	C46 H34 O16 Zr3	P 4/m n c	19.1734; 19.1734; 33.032 90; 90; 90	12143	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131866	CIF	C46 H34 O16 Zr3	P 4/m n c	19.28; 19.28; 32.89 90; 90; 90	12226	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society, 2018, 140, 3952-3958
4131867	CIF	C29 H28 B F10 N	C 1 2/c 1	29.854; 10.5623; 23.234 90; 129.007; 90	5693	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131868	CIF	C30 H32 B F10 N	C 1 2/c 1	30.8901; 10.7574; 23.1166 90; 129.511; 90	5926.4	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131869	CIF	C30 H21 B F15 N	P 1 21/n 1	16.6005; 15.9553; 22.3028 90; 108.385; 90	5605.7	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131870	CIF	C32 H30 B F10 N	P 1 21/c 1	13.1325; 14.4932; 16.2201 90; 107.206; 90	2949.04	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131871	CIF	C40 H34 B F10 N	P -1	9.4038; 10.8415; 18.5386 96.508; 101.595; 105.266	1758.27	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131872	CIF	C42 H36 B F10 N O	P 1 21/c 1	21.1713; 9.5824; 20.2501 90; 117.812; 90	3633.61	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131873	CIF	C38 H36 B F10 N O	P 1 21/n 1	13.959; 14.6616; 17.3506 90; 102.255; 90	3470.08	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131874	CIF	C37 H36 B F10 N O	P -1	10.0116; 10.3869; 16.58 75.778; 79.29; 83.508	1638.07	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131875	CIF	C43 H42 B2 F15 N	P -1	11.3453; 12.0116; 16.1572 74.992; 72.799; 85.628	2031.6	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society, 2018, 140, 3635-3643
4131876	CIF	C46 H248 N23 Na9 O254 P4 Se4 W64	P 42/n :2	34.8679; 34.8679; 14.1884 90; 90; 90	17249.8	Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society, 2018, 140, 2595-2601
4131877	CIF	C26 H168 N13 Na19 O254 P4 Te4 W64	P 1 21/m 1	15.2204; 37.8175; 29.2768 90; 103.518; 90	16384.8	Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society, 2018, 140, 2595-2601
4131878	CIF	C30 H188 N15 Na17 O254 P8 W64	P 42/n :2	34.7924; 34.7924; 14.1405 90; 90; 90	17117.2	Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society, 2018, 140, 2595-2601
4131879	CIF	C38 H276 As4 N19 Na17 O284 P4 W64	C 1 2/c 1	57.258; 15.0627; 77.278 90; 91.453; 90	66628	Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society, 2018, 140, 2595-2601
4131880	CIF	C260 H378 Cl12 N56 O71.5 S14	P 1 2 1	18.981; 25.97; 21.424 90; 110.983; 90	9860	Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper. Journal of the American Chemical Society, 2018, 140, 5661-5665
4131881	CIF	C123 H166 Cl7 N33 O30 S7	P 41 21 2	17.0979; 17.0979; 28.8128 90; 90; 90	8423.1	Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper. Journal of the American Chemical Society, 2018, 140, 5661-5665
4131883	CIF	C252 H246 Ag26 P6 Pt S18	R -3 c :H	31.446; 31.446; 49.095 90; 90; 120	42043	He, Lizhong; Yuan, Jinyun; Xia, Nan; Liao, Lingwen; Liu, Xu; Gan, Zibao; Wang, Chengming; Yang, Jinlong; Wu, Zhikun Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters. Journal of the American Chemical Society, 2018, 140, 3487-3490
4131884	CIF	C20 H30 O4	P 1 21 1	6.1913; 8.7775; 17.654 90; 96.821; 90	952.6	Tsai, Erica Y.; Liu, Richard Y.; Yang, Yang; Buchwald, Stephen L. A Regio- and Enantioselective CuH-Catalyzed Ketone Allylation with Terminal Allenes. Journal of the American Chemical Society, 2018, 140, 2007-2011
4131885	CIF	C36 H60 B6 O12	P 1 21/n 1	10.9587; 19.3545; 19.5983 90; 96.063; 90	4133.6	Yan, Lu; Meng, Yan; Haeffner, Fredrik; Leon, Robert M.; Crockett, Michael P.; Morken, James P. Carbohydrate/DBU Cocatalyzed Alkene Diboration: Mechanistic Insight Provides Enhanced Catalytic Efficiency and Substrate Scope. Journal of the American Chemical Society, 2018, 140, 3663-3673
4131886	CIF	C26 H23 Au F3 N O2	P n a 21	6.4976; 14.353; 24.8911 90; 90; 90	2321.35	Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color. Journal of the American Chemical Society, 2018, 140, 2875-2879
4131887	CIF	C26 H23 Au F3 N O2	P n a 21	6.5333; 14.3788; 24.7773 90; 90; 90	2327.6	Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color. Journal of the American Chemical Society, 2018, 140, 2875-2879
4131888	CIF	C24 H15 Au F3 N	P -1	8.7329; 9.2722; 11.9521 87.876; 81.512; 82.835	949.55	Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color. Journal of the American Chemical Society, 2018, 140, 2875-2879
4131889	CIF	C24 H15 Au F3 N	P -1	8.7264; 9.3243; 11.9764 87.967; 81.741; 82.7141	956.45	Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color. Journal of the American Chemical Society, 2018, 140, 2875-2879
4131890	CIF	C88 H142 N8 Ni2 O12	P 1 21 1	10.9543; 23.5971; 20.4838 90; 95.962; 90	5266.2	Lin, Xiaobin; Tang, Yu; Yang, Wei; Tan, Fei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming Chiral Nickel(II) Complex Catalyzed Enantioselective Doyle-Kirmse Reaction of α-Diazo Pyrazoleamides. Journal of the American Chemical Society, 2018, 140, 3299-3305
4131891	CIF	C8 H12 Br6 Cd N2	P n m a	12.783; 9.491; 17.67 90; 90; 90	2144	Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society, 2018, 140, 3975-3980
4131892	CIF	C4 H11 Br3 Cd Cl N	P 63/m m c	9.59; 9.59; 7.0146 90; 90; 120	558.69	Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society, 2018, 140, 3975-3980
4131893	CIF	C4 H11 Br3 Cd Cl N	P 63 m c	9.514; 9.514; 7.0191 90; 90; 120	550.22	Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society, 2018, 140, 3975-3980
4131894	CIF	C4 H11 Br3 Cd Cl N	P 63 m c	9.402; 9.402; 6.977 90; 90; 120	534.1	Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society, 2018, 140, 3975-3980
4131895	CIF	C16 H44 Br12 Cd2 N4	P 1 21/c 1	9.539; 17.604; 12.628 90; 92.695; 90	2118	Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society, 2018, 140, 3975-3980
4131896	CIF	C17 H9 N2 S2	P 1 21 1	7.3514; 8.0601; 21.3723 90; 94.7647; 90	1262	Beldjoudi, Yassine; Nascimento, Mitchell A.; Cho, Yong Joo; Yu, Hyeonghwa; Aziz, Hany; Tonouchi, Daiki; Eguchi, Keitaro; Matsushita, Michio M.; Awaga, Kunio; Osorio-Roman, Igor; Constantinides, Christos P.; Rawson, Jeremy M. Multifunctional Dithiadiazolyl Radicals: Fluorescence, Electroluminescence, and Photoconducting Behavior in Pyren-1'-yl-dithiadiazolyl. Journal of the American Chemical Society, 2018, 140, 6260-6270
4131897	CIF	C25 H28 Cu F3 N5 O6 S	P 1 21/n 1	7.3589; 19.2305; 19.2279 90; 93.221; 90	2716.74	Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A. The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms. Journal of the American Chemical Society, 2018, 140, 2933-2939
4131898	CIF	C29 H29 Cu2 N5 O8	C 1 2/c 1	26.0869; 14.8694; 8.1356 90; 108.012; 90	3001.1	Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A. The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms. Journal of the American Chemical Society, 2018, 140, 2933-2939
4131899	CIF	C17 H24 N2 O2	P 1 21 1	12.1758; 10.373; 14.1803 90; 112.952; 90	1649.18	Song, Jin; Zhang, Zi-Jing; Chen, Shu-Sen; Fan, Tao; Gong, Liu-Zhu Lewis Base/Copper Cooperatively Catalyzed Asymmetric α-Amination of Esters with Diaziridinone. Journal of the American Chemical Society, 2018, 140, 3177-3180
4131900	CIF	C188 H142 Eu4 F36 N12 O35	C 1 2 1	25.7797; 34.9694; 12.4506 90; 101.77; 90	10988.2	Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society, 2018, 140, 3683-3689
4131901	CIF	C184 H128 F36 N12 O36 Yb4	C 1 2 1	33.7188; 32.0387; 22.5439 90; 102.13; 90	23810.6	Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society, 2018, 140, 3683-3689
4131902	CIF	C184 H132 F36 N12 O34 Sm4	C 1 2 1	25.759; 35.1455; 12.463 90; 102.001; 90	11036.3	Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society, 2018, 140, 3683-3689
4131903	CIF	C184 H132 Eu4 F36 N12 O34	C 1 2 1	25.7603; 35.035; 12.4435 90; 101.626; 90	11000	Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society, 2018, 140, 3683-3689
4131904	CIF	C184 H128 F36 N12 O36 Yb4	C 1 2 1	33.9451; 31.7821; 22.4739 90; 102.275; 90	23691.6	Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society, 2018, 140, 3683-3689
4131905	CIF	C187 H112 F36 N12 O44 Y4	C 1 2 1	33.7309; 32.1542; 22.2394 90; 101.685; 90	23620.8	Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society, 2018, 140, 3683-3689
4131906	CIF	C250.03 H329.15 Cl16.96 N32 O38.38 Tb2	P -1	17.3755; 19.9053; 22.8678 64.5031; 88.255; 75.2468	6875.1	Morita, Takaumi; Damjanović, Marko; Katoh, Keiichi; Kitagawa, Yasutaka; Yasuda, Nobuhiro; Lan, Yanhua; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Enders, Markus; Yamashita, Masahiro Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement. Journal of the American Chemical Society, 2018, 140, 2995-3007
4131907	CIF	C38.52 H35.81 Cl Fe N4 O7.38	P -1	10.0679; 12.6568; 15.6766 98.834; 106.858; 104.372	1796.31	Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P. Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex. Journal of the American Chemical Society, 2018, 140, 4191-4194
4131908	CIF	C39.38 H35.62 Cl Fe N5.38 O5.62	P 1 21/n 1	10.112; 22.0629; 16.4935 90; 104.954; 90	3555.08	Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P. Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex. Journal of the American Chemical Society, 2018, 140, 4191-4194
4131909	CIF	C39 H46 B F2 N3 O4	P 1 21/c 1	15.6805; 10.4626; 21.9659 90; 101.322; 90	3533.6	Collot, Mayeul; Fam, Tkhe Kyong; Ashokkumar, Pichandi; Faklaris, Orestis; Galli, Thierry; Danglot, Lydia; Klymchenko, Andrey S. Ultrabright and Fluorogenic Probes for Multicolor Imaging and Tracking of Lipid Droplets in Cells and Tissues. Journal of the American Chemical Society, 2018, 140, 5401-5411
4131910	CIF	C44 H4.6 O44.5 Zr6	C 1 2 1	20.747; 20.747; 14.67 90; 135; 90	4465	Albalad, Jorge; Xu, Heng; Gándara, Felipe; Haouas, Mohamed; Martineau-Corcos, Charlotte; Mas-Ballesté, Rubén; Barnett, Sarah A.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Single-Crystal-to-Single-Crystal Postsynthetic Modification of a Metal-Organic Framework via Ozonolysis. Journal of the American Chemical Society, 2018, 140, 2028-2031
4131911	CIF	C49 H63 F24 N10 O7 P4 S5	P -1	14.493; 14.921; 17.665 100.095; 107.797; 98.626	3495	Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L. Supramolecular Properties of a Monocarboxylic Acid-Functionalized "Texas-Sized" Molecular Box. Journal of the American Chemical Society, 2018, 140, 6823-6831
4131912	CIF	C43 H33 F18 N10 O4 P3 S2	P n m a	27.323; 31.177; 11.9178 90; 90; 90	10152	Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L. Supramolecular Properties of a Monocarboxylic Acid-Functionalized "Texas-Sized" Molecular Box. Journal of the American Chemical Society, 2018, 140, 6823-6831
4131913	CIF	C26 H54 Ca2 I2 O6	P n a 21	19.866; 7.7093; 22.122 90; 90; 90	3388	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society, 2018, 140, 2373-2383
4131914	CIF	C29.92 H64.75 Ca3 I1.08 O5	P 1 21/n 1	12.223; 17.635; 18.194 90; 93.383; 90	3915	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society, 2018, 140, 2373-2383
4131915	CIF	C55 H88 B2 Ca N12	P -1	11.864; 12.059; 20.598 96.07; 95.89; 99.03	2873	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society, 2018, 140, 2373-2383
4131916	CIF	C62 H110 B2 Ca2 N12 O3	P -1	11.6278; 15.9075; 19.5703 79.691; 80.461; 80.899	3481.3	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society, 2018, 140, 2373-2383
4131917	CIF	C30 H53 B Ca N6 O	P 1 21/n 1	22.2039; 12.3521; 27.028 90; 101.36; 90	7267.6	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society, 2018, 140, 2373-2383
4131918	CIF	C55 H108 Ca2 O6	P 1 21 1	12.3787; 19.6198; 12.7078 90; 111.5; 90	2871.6	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society, 2018, 140, 2373-2383
4131919	CIF	C52.5 H105.5 Ca2 O5	P 1 21/n 1	13.0501; 19.3522; 22.1731 90; 92.027; 90	5596.3	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society, 2018, 140, 2373-2383
4131920	CIF	C8 H24 Ca Ga2	C m c 21	7.388; 19.802; 9.63 90; 90; 90	1408.8	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society, 2018, 140, 2373-2383
4131921	CIF	C27 H19 N2 P	C 1 2 1	15.317; 8.924; 16.982 90; 111.376; 90	2161.6	Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore. Journal of the American Chemical Society, 2018, 140, 2046-2049
4131922	CIF	C19 H13 N2 P	C 1 2 1	15.138; 9.219; 28.143 90; 100.742; 90	3859	Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore. Journal of the American Chemical Society, 2018, 140, 2046-2049
4131923	CIF	C21 H21 N O5	P -1	6.4957; 9.6763; 14.8709 97.388; 95.474; 100.439	904.82	Wang, Gang-Wei; Bower, John F. Modular Access to Azepines by Directed Carbonylative C-C Bond Activation of Aminocyclopropanes. Journal of the American Chemical Society, 2018, 140, 2743-2747
4131924	CIF	C276 H288 Cl6 N6 Ni18 O36 S30	P -1	18.052; 23.231; 26.344 70.236; 77.675; 86.573	10156	Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Li, Xiaokun; Liao, Wuping; Chen, Wei Calixarene-Based {Ni<sub>18</sub>} Coordination Wheel: Highly Efficient Electrocatalyst for the Glucose Oxidation and Template for the Homogenous Cluster Fabrication. Journal of the American Chemical Society, 2018, 140, 6271-6277
4131925	CIF	C10 H20 Cl2 Cu N16 O8	C 1 2/c 1	15.0672; 9.0113; 17.5426 90; 97.696; 90	2360.39	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131926	CIF	C8 H20 Cl2 Cu N20 O6	P 1 21/n 1	13.1028; 10.7288; 16.2265 90; 95.036; 90	2272.3	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131927	CIF	C8 H16 Cl2 Cu N16 O6	P 1 21/n 1	7.6403; 10.0072; 13.623 90; 90.4; 90	1041.56	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131928	CIF	C10 H16 Cl2 Cu N16 O6	C 1 2/c 1	14.6638; 8.9883; 16.3538 90; 90.324; 90	2155.44	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131929	CIF	C10 H16 Cl2 Cu N16 O6	P -1	6.7837; 8.182; 10.1959 108.068; 101.188; 90.137	526.6	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131930	CIF	C6 H12 Cl2 Cu N12 O6	C 1 2/m 1	13.5622; 15.5713; 7.7338 90; 91.559; 90	1632.6	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131931	CIF	C12 H20 Cl2 Cu N16 O6	P 1 21/n 1	10.7286; 6.8178; 15.5263 90; 100.469; 90	1116.77	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131932	CIF	C4 H14 Cl2 Cu N10 O8	P -1	6.5617; 7.526; 9.0097 111.762; 98.711; 104.197	385.81	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131933	CIF	C8 H16 Cl2 Cu N16 O6	P -1	7.2932; 10.9456; 12.417 93.041; 96.845; 91.156	982.43	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131934	CIF	C15 H24 Cl2 Cu N24 O6	P -3 c 1	10.9642; 10.9642; 14.3772 90; 90; 120	1496.78	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131935	CIF	C57 H72 Ce N9	R -3 c :H	18.626; 18.626; 55.983 90; 90; 120	16820	Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society, 2018, 140, 4588-4595
4131936	CIF	C36 H72 Ce N9	P -1	10.0315; 11.8803; 17.842 82.423; 85.788; 89.638	2102.09	Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society, 2018, 140, 4588-4595
4131937	CIF	C39 H84 Ce N9	P 1 21/c 1	13.2861; 19.9413; 18.6655 90; 109.946; 90	4648.6	Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society, 2018, 140, 4588-4595
4131938	CIF	C48 H96 Ce N9	C 1 2/c 1	24.249; 13.9439; 18.4167 90; 115.072; 90	5640.4	Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society, 2018, 140, 4588-4595
4131939	CIF	C42 H96 Ce N9 Si3	P 1 21/c 1	12.8493; 10.7028; 39.41 90; 93.013; 90	5412.3	Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society, 2018, 140, 4588-4595
4131940	CIF	C67 H116 Ce I2 Li N6 O2	P 1 21/n 1	20.8203; 15.8035; 20.8531 90; 90.547; 90	6861.1	Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society, 2018, 140, 4588-4595
4131941	CIF	C81 H132 Ce N9	R 3 c :H	44.203; 44.203; 26.08 90; 90; 120	44131	Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society, 2018, 140, 4588-4595
4131942	CIF	C20 H22 Cl F3 N2 O	P 21 21 21	8.998; 11.5663; 17.6674 90; 90; 90	1838.71	Ye, Ke-Yin; Pombar, Gisselle; Fu, Niankai; Sauer, Gregory S.; Keresztes, Ivan; Lin, Song Anodically Coupled Electrolysis for the Heterodifunctionalization of Alkenes. Journal of the American Chemical Society, 2018, 140, 2438-2441
4131943	CIF	C20 H20 N2 O4	P 21 21 21	9.64769; 11.43518; 15.03401 90; 90; 90	1658.6	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131944	CIF	C23 H26 N2 O7	P -1	8.161; 10.276; 13.734 102.45; 97.861; 112.29	1009.7	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131945	CIF	C24 H26 N2 O7	P -1	6.8694; 10.0331; 15.3665 81.1902; 88.6152; 89.8076	1046.28	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131946	CIF	C20 H16 Br3 N4 Ru	P -1	7.2777; 8.2938; 9.0157 77.686; 83.158; 69.733	498.14	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131947	CIF	C22 H24 N2 O5	P 1 21/n 1	8.7314; 18.821; 11.6512 90; 102.367; 90	1870.26	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131948	CIF	C49.5 H55 N4 O12.5 S2	C 1 2 1	45.773; 7.9396; 13.4558 90; 97.262; 90	4850.87	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131949	CIF	C23 H26 N2 O6	P 1 21/n 1	12.0865; 13.2673; 13.6282 90; 115.234; 90	1976.81	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131950	CIF	C24 H30 N2 O6	P 1 21/n 1	10.9813; 8.0063; 24.4059 90; 98.934; 90	2119.72	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131951	CIF	C21 H20 N2 O5	P -1	7.2219; 9.354; 13.497 84.894; 85.225; 68.613	844.3	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131952	CIF	C24 H28 N2 O6	P -1	7.9625; 10.842; 12.972 74.54; 74.559; 87.974	1039.6	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131953	CIF	C24 H26 N2 O7	A e a 2	13.6713; 37.374; 8.2094 90; 90; 90	4194.6	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131954	CIF	C21 H20.18 N2 O5.09	P 21 21 21	7.84898; 14.47011; 15.52093 90; 90; 90	1762.8	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131955	CIF	C22 H24 Cl2 N2 O4	P -1	7.3663; 11.4058; 12.1822 85.2854; 81.2598; 85.079	1005.43	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131956	CIF	C23 H27 Cl3 N2 O6	P 1 21/n 1	11.221; 7.2383; 29.137 90; 96.855; 90	2349.6	Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society, 2018, 140, 5393-5400
4131957	CIF	C170 H142 Cl4 N8 O18.66667	C 1 2 1	47.826; 21.1891; 27.0097 90; 94.628; 90	27282	Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. Journal of the American Chemical Society, 2018, 140, 2769-2772
4131958	CIF	C52 H40 O4	P 21 21 21	6.5343; 17.9861; 32.523 90; 90; 90	3822.3	Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. Journal of the American Chemical Society, 2018, 140, 2769-2772
4131959	CIF	C30 H16	P 21 21 21	5.146; 18.162; 20.254 90; 90; 90	1892.97	Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. Journal of the American Chemical Society, 2018, 140, 2769-2772
4131960	CIF	C171.33333 H144.66667 Cl6.66667 N8 O24	C 1 2 1	47.641; 21.1704; 27.0403 90; 94.904; 90	27172	Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. Journal of the American Chemical Society, 2018, 140, 2769-2772
4131961	CIF	C12 H13 N3 O6 S	P 1 21/c 1	7.4332; 8.2644; 22.734 90; 96.542; 90	1387.5	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131962	CIF	C27 H30 N4 O11 S2	P -1	10.817; 11.154; 13.163 92.607; 112.415; 92.17	1464	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131963	CIF	C16 H15 N5 O5 S	P -1	7.0021; 9.7512; 13.0986 70.369; 88.781; 82.494	834.91	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131964	CIF	C12 H13 N3 O5 S	P 1 21/n 1	7.3537; 14.8454; 12.3215 90; 94.038; 90	1341.78	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131965	CIF	C18 H21 N5 O8 S2	P b c a	10.4132; 13.5716; 29.547 90; 90; 90	4175.69	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131966	CIF	C12 H14 N4 O8 S	P 1 21/c 1	7.017; 17.287; 12.578 90; 94.34; 90	1521.4	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131967	CIF	C18 H23 N5 O6 S2	I 1 2/a 1	11.6451; 8.0014; 22.6883 90; 91.37; 90	2113.4	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131968	CIF	C16 H26 N5 O8 S2	P -1	9.9888; 10.2796; 12.3288 68.939; 79.698; 69.115	1101.9	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131969	CIF	C16 H17 N7 O10 S2	P -1	7.7154; 11.5739; 12.5866 68.866; 83.563; 82.184	1036.19	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131970	CIF	C58 H64 N4 O13 S4	C 1 2/c 1	26.738; 7.081; 30.146 90; 90.53; 90	5707.4	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131971	CIF	C26 H26 N4 O12 S2	P -1	6.0303; 9.721; 12.4638 98.012; 94.549; 97.848	713.12	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131972	CIF	C20 H23 N3 O5 S	P 1 21/n 1	14.5751; 7.3814; 18.0511 90; 92.517; 90	1940.15	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131973	CIF	C26 H28 N2 O8 S2	P 1 21/n 1	5.7205; 20.45; 11.7153 90; 102.871; 90	1336.1	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131974	CIF	C24 H22 N4 O12 S2	P 1 21/n 1	12.9855; 7.3929; 13.8095 90; 100.742; 90	1302.49	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131975	CIF	C24 H26 N2 O9 S2	P -1	7.7042; 12.1758; 13.3268 84.238; 89.648; 83.067	1234.68	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131976	CIF	C24 H26 N2 O11 S2	P 1 21/c 1	12.9248; 7.3758; 26.709 90; 91.338; 90	2545.49	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131977	CIF	C28 H32 N2 O8 S2	C 1 2/c 1	21.8681; 5.6881; 23.3203 90; 101.161; 90	2845.9	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131978	CIF	C10 H12 N O4 S	P 1 21/c 1	8.124; 5.7011; 23.0661 90; 93.074; 90	1066.79	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131979	CIF	C10 H12 N O3 S	P 1 21/n 1	8.8901; 7.0512; 16.8721 90; 95.229; 90	1053.24	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131980	CIF	C10 H11 N2 O5 S	I 1 2/a 1	17.884; 6.712; 19.8456 90; 112.723; 90	2197.3	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131981	CIF	C28 H32 N2 O8 S2	C 1 2/c 1	27.044; 6.9584; 15.834 90; 118.16; 90	2627	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131982	CIF	C28 H32 N2 O6 S2	C 1 2/c 1	15.3959; 7.2509; 23.9608 90; 92.573; 90	2672.1	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131983	CIF	C30 H36 N2 O6 S2	P 1 21/n 1	19.9706; 7.039; 21.9707 90; 113.547; 90	2831.3	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131984	CIF	C28 H32 N4 O11 S2	P -1	10.6823; 11.4435; 13.2985 87.212; 70.525; 81.733	1516.7	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131985	CIF	C10 H11 Cl N O3 S	P 1 21/n 1	5.9637; 15.7025; 11.9733 90; 95.124; 90	1116.76	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131986	CIF	C9 H9 Cl N O4 S	P 1 21/c 1	8.1551; 5.7169; 22.5197 90; 94.011; 90	1047.34	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131987	CIF	C21 H21 Cl3 N3 O6 S2	P -1	10.1766; 10.7552; 12.5205 95.045; 109.245; 102.571	1243.69	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131988	CIF	C12 H11 Cl2 N3 O5 S	C 1 2/c 1	22.1231; 7.2432; 19.3126 90; 100.197; 90	3045.81	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131989	CIF	C13 H14 Cl N3 O5 S	P 1 21/c 1	7.2666; 14.9473; 15.224 90; 99.744; 90	1629.7	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131990	CIF	C12 H12 Cl N3 O6 S	P -1	7.4388; 8.519; 12.2969 90.408; 107.029; 94.769	742.12	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131991	CIF	C12 H12 Cl N3 O5 S	P c c n	21.7735; 14.1989; 9.4343 90; 90; 90	2916.71	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131992	CIF	C12 H11 Cl N4 O7 S	P -1	7.3874; 9.6593; 11.6166 74.226; 82.828; 72.285	759.08	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131993	CIF	C54 H45 B F15 Fe N4 O	P -1	13.052; 15.755; 24.071 90.625; 91.925; 91.633	4944.7	Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B Lewis Acid Activation of the Ferrous Heme-NO Fragment toward the N-N Coupling Reaction with NO To Generate N<sub>2</sub>O. Journal of the American Chemical Society, 2018, 140, 4204-4207
4131994	CIF	C12 H7 F3 N2	P 1 21/n 1	8.722; 14.03; 8.981 90; 111.139; 90	1025	Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal. Journal of the American Chemical Society, 2018, 140, 3842-3845
4131995	CIF	C12 H7 F3 N2	A e a 2	14.047; 14.609; 10.026 90; 90; 90	2057.5	Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal. Journal of the American Chemical Society, 2018, 140, 3842-3845
4131996	CIF	C10 H6 N S2	P -1	9.431; 9.479; 10.55 77.104; 86.491; 75.335	889.4	Bates, Demetris; Robertson, Craig M.; Leitch, Alicea A.; Dube, Paul A.; Oakley, Richard T. Magnetic Bistability in Naphtho-1,3,2-dithiazolyl: Solid State Interconversion of a Thiazyl π-Radical and Its N-N σ-Bonded Dimer. Journal of the American Chemical Society, 2018, 140, 3846-3849
4131997	CIF	C10 H12 Cu F6 N10 O Si	C 1 2/c 1	16.3598; 11.2335; 21.3117 90; 91.676; 90	3914.9	Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations. Journal of the American Chemical Society, 2018, 140, 4596-4603
4131998	CIF	C20 H24 Cu2 F12 N20 O2 Si2	C m c m	16.9982; 11.0287; 21.318 90; 90; 90	3996.4	Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations. Journal of the American Chemical Society, 2018, 140, 4596-4603
4131999	CIF	C32 H38 O2	P 1 21 1	13.24067; 7.76255; 24.8383 90; 91.3423; 90	2552.21	Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay. Journal of the American Chemical Society, 2018, 140, 3514-3517
4132000	CIF	C20 H22 O	P 1 21 1	5.8408; 16.7324; 7.8935 90; 92.485; 90	770.71	Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay. Journal of the American Chemical Society, 2018, 140, 3514-3517
4132001	CIF	C244 H256 N16 O8 Si4 Ti4	P -1	12.843; 20.558; 23.39 72.79; 77.72; 72.76	5580.91	Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L. Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons. Journal of the American Chemical Society, 2018, 140, 4973-4976
4132002	CIF	C52 H71 N4 O2 Si Ti	P 1 21/n 1	12.8621; 21.1899; 18.839 90; 104.842; 90	4963.2	Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L. Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons. Journal of the American Chemical Society, 2018, 140, 4973-4976
4132003	CIF	C46 H66 N4 O2 Si Ti	P 1 21/n 1	12.4428; 27.623; 13.2015 90; 92.073; 90	4534.5	Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L. Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons. Journal of the American Chemical Society, 2018, 140, 4973-4976
4132004	CIF	C19 H22 O6	P 1 n 1	4.7391; 12.8346; 14.2014 90; 96.2262; 90	858.7	Tao, Daniel J.; Slutskyy, Yuriy; Muuronen, Mikko; Le, Alexander; Kohler, Philipp; Overman, Larry E. Total Synthesis of (-)-Chromodorolide B By a Computationally-Guided Radical Addition/Cyclization/Fragmentation Cascade. Journal of the American Chemical Society, 2018, 140, 3091-3102
4132005	CIF	C32 H25 Cl2 F N O3 P Pd S	P 1 21/c 1	12.7112; 14.8397; 15.9385 90; 98.6077; 90	2972.6	Chen, Xiao-Yang; Sorensen, Erik J. Pd-Catalyzed, ortho C-H Methylation and Fluorination of Benzaldehydes Using Orthanilic Acids as Transient Directing Groups. Journal of the American Chemical Society, 2018, 140, 2789-2792
4132006	CIF	C70 H81.6 Cl4 Fe N10 O15.8	P 1 21/c 1	20.3631; 28.602; 12.6388 90; 94.0855; 90	7342.5	Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence. Journal of the American Chemical Society, 2018, 140, 9426-9433
4132007	CIF	C70 H81.6 Cl4 Fe N10 O15.8	P 1 21/c 1	20.1522; 28.5668; 12.54945 90; 94.1381; 90	7205.68	Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence. Journal of the American Chemical Society, 2018, 140, 9426-9433
4132008	CIF	C70.78 H83.12 Cl4 N10 O15.78 Zn	P 1 21/c 1	20.4333; 28.681; 12.643 90; 94.243; 90	7389.1	Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence. Journal of the American Chemical Society, 2018, 140, 9426-9433
4132009	CIF	C70 H81.6 Cl4 Fe N10 O15.8	P 1 21/c 1	20.566; 28.5805; 12.7724 90; 94.822; 90	7480.9	Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence. Journal of the American Chemical Society, 2018, 140, 9426-9433
4132010	CIF	C13 H19 Br F6 O2	P 1 21/n 1	7.071; 21.45; 10.258 90; 95.885; 90	1547.7	Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations. Journal of the American Chemical Society, 2018, 140, 4344-4353
4132011	CIF	C17 H21 I N2 O7	P 1 21/c 1	18.1478; 6.6216; 17.9704 90; 114.684; 90	1962.14	Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations. Journal of the American Chemical Society, 2018, 140, 4344-4353
4132012	CIF	C10 H13 F12 N O3	P -1	9.5076; 9.6913; 9.753 103.771; 91.642; 113.628	791.84	Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations. Journal of the American Chemical Society, 2018, 140, 4344-4353
4132013	CIF	C32 H34 N6 O5	P 1 21/n 1	11.8321; 13.4953; 19.2839 90; 105.58; 90	2966.1	An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells. Journal of the American Chemical Society, 2018, 140, 4860-4868
4132014	CIF	C22 H18 N6 O	P 1 21/n 1	18.7948; 5.1334; 21.0251 90; 116.317; 90	1818.28	An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells. Journal of the American Chemical Society, 2018, 140, 4860-4868
4132015	CIF	C2 H11 I4 N5 Pb	C 1 2/m 1	26.948; 12.8189; 14.408 90; 109.941; 90	4678.8	Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Aebli, Marcel; Rainò, Gabriele; Benin, Bogdan M.; Wörle, Michael; Kovalenko, Maksym V. Guanidinium-Formamidinium Lead Iodide: A Layered Perovskite-Related Compound with Red Luminescence at Room Temperature. Journal of the American Chemical Society, 2018, 140, 3850-3853
4132016	CIF	C44 H60 Fe N2	P 42	13.4351; 13.4351; 10.3042 90; 90; 90	1859.93	Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J. Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts. Journal of the American Chemical Society, 2018, 140, 3443-3453
4132017	CIF	C33 H48 Fe N2	P 1 21/n 1	10.8062; 18.8852; 15.2388 90; 105.087; 90	3002.7	Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J. Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts. Journal of the American Chemical Society, 2018, 140, 3443-3453
4132018	CIF	C13 H16 O3	P 21 21 2	28.7833; 7.6635; 5.2638 90; 90; 90	1161.09	Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H. Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions. Journal of the American Chemical Society, 2018, 140, 3523-3527
4132019	CIF	C79.21 H97.21 Cl0.63 N O15	P 1 21 1	15.7236; 33.2669; 27.9753 90; 90.4715; 90	14632.7	Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H. Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions. Journal of the American Chemical Society, 2018, 140, 3523-3527
4132020	CIF	C91 H60 Mn N4 O	P -1	14.2326; 15.8893; 21.2641 95.728; 105.042; 109.927	4271.09	Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society, 2018, 140, 4380-4390
4132021	CIF	C91 H59 Mn N4 O	P -1	14.1236; 15.7359; 21.2624 94.8197; 105.143; 109.402	4226.02	Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society, 2018, 140, 4380-4390
4132022	CIF	C97 H65 Mn N4 O	P -1	14.2994; 16.0576; 21.14 95.3261; 105.447; 110.607	4284.67	Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society, 2018, 140, 4380-4390
4132023	CIF	C96.08 H64.66 F0.85 Mn0.71 N4 O0.71	P -1	14.1015; 15.8829; 21.2236 95.5849; 104.613; 109.579	4246.68	Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society, 2018, 140, 4380-4390
4132024	CIF	C91 H59 Cl Mn N4	P -1	14.4058; 15.7896; 21.3052 95.599; 105.387; 109.867	4299.1	Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society, 2018, 140, 4380-4390
4132025	CIF	C91 H59 Mn N4 O	P -1	14.1337; 15.8214; 21.3618 95.3238; 104.934; 109.415	4268.74	Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society, 2018, 140, 4380-4390
4132026	CIF	C19 H14 F5 N O	P -1	7.923; 9.918; 10.534 84.008; 79.819; 79.127	797.9	Xiong, Peng; Xu, He-Huan; Song, Jinshuai; Xu, Hai-Chao Electrochemical Difluoromethylarylation of Alkynes. Journal of the American Chemical Society, 2018, 140, 2460-2464
4132027	CIF	C72 H160 Mo8 N4 O28	P 1 21/c 1	13.0401; 22.315; 16.9829 90; 94.276; 90	4928.1	Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis. Journal of the American Chemical Society, 2018, 140, 4869-4876
4132028	CIF	C164 H120 B4 F16 N40 O24 Pd4 S3	P 1 21/m 1	16.7178; 34.1498; 18.9986 90; 96.009; 90	10786.9	Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis. Journal of the American Chemical Society, 2018, 140, 4869-4876
4132029	CIF	C128 H96 B4 F16 N40 O24 Pd4	P 1 21/n 1	18.388; 36.235; 38.605 90; 90.18; 90	25722	Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis. Journal of the American Chemical Society, 2018, 140, 4869-4876
4132030	CIF	C36 H38 F24 Mo2 O10	P 1 21/n 1	10.8549; 17.272; 25.326 90; 100.638; 90	4666.7	Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex. Journal of the American Chemical Society, 2018, 140, 2797-2800
4132031	CIF	C24 H25 F12 Mo O4 P	P -1	10.1656; 10.6334; 14.9661 89.0887; 71.4763; 66.749	1398.2	Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex. Journal of the American Chemical Society, 2018, 140, 2797-2800
4132032	CIF	C52 H78 Cl Mo O3 P	P 1 21/c 1	18.003; 24.0118; 23.9393 90; 90.302; 90	10348.4	Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex. Journal of the American Chemical Society, 2018, 140, 2797-2800
4132033	CIF	C90.67 H44 B12 Ni0.67 O32.67 Zr6	P 6/m m m	38.555; 38.555; 17.0605 90; 90; 120	21963	Kung, Chung-Wei; Otake, Kenichi; Buru, Cassandra T.; Goswami, Subhadip; Cui, Yuexing; Hupp, Joseph T.; Spokoyny, Alexander M.; Farha, Omar K. Increased Electrical Conductivity in a Mesoporous Metal-Organic Framework Featuring Metallacarboranes Guests. Journal of the American Chemical Society, 2018, 140, 3871-3875
4132034	CIF	C13 H24 B N O4	P 1 21/c 1	8.1648; 16.1293; 11.1095 90; 98.45; 90	1447.16	Ng, Elvis Wang Hei; Low, Kam-Hung; Chiu, Pauline Synthesis and Applications of Unquaternized C-Bound Boron Enolates. Journal of the American Chemical Society, 2018, 140, 3537-3541
4132035	CIF	C30 H30 N4	P 1 21/c 1	10.3038; 16.368; 7.0296 90; 104.63; 90	1147.12	Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer. Journal of the American Chemical Society, 2018, 140, 5934-5947
4132036	CIF	C86 H106 N6 Na O11 Zr	P -1	15.0083; 16.9522; 17.9794 87.08; 65.452; 67.926	3825.8	Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer. Journal of the American Chemical Society, 2018, 140, 5934-5947
4132037	CIF	C38 H30 N4 O2	C 1 2/m 1	13.039; 14.398; 7.8109 90; 97.6; 90	1453.5	Sun, Yanqiu; Lei, Yilong; Dong, Huanli; Zhen, Yonggang; Hu, Wenping Solvatomechanical Bending of Organic Charge Transfer Cocrystal. Journal of the American Chemical Society, 2018, 140, 6186-6189
4132038	CIF	C51.83 H52.66 Cl9.72 N Sb0.98	P 1 21/c 1	11.5521; 24.1457; 19.7738 90; 106.01; 90	5301.6	Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. Journal of the American Chemical Society, 2018, 140, 4649-4655
4132039	CIF	C106 H99 Cl13 N2 Sb2	P -1	17.484; 18.351; 18.671 110.418; 104.903; 108.597	4842	Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. Journal of the American Chemical Society, 2018, 140, 4649-4655
4132040	CIF	C128.76 H137.19 Cl14.9 N2 O2.73 Sb2	C 1 2/c 1	32.3774; 12.2907; 29.9008 90; 90.309; 90	11898.6	Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. Journal of the American Chemical Society, 2018, 140, 4649-4655
4132041	CIF	C199.77 H195.32 N4	P 1 21/n 1	21.4102; 30.3917; 25.3832 90; 108.985; 90	15618.2	Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. Journal of the American Chemical Society, 2018, 140, 4649-4655
4132042	CIF	C128.45 H146.48 Br4.81 I12 N24 Zn6	C 1 2 1	35.1167; 14.8989; 30.9479 90; 101.33; 90	15876.4	Goh, Shermin S.; Champagne, Pier Alexandre; Guduguntla, Sureshbabu; Kikuchi, Takashi; Fujita, Makoto; Houk, K. N.; Feringa, Ben L. Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs. Journal of the American Chemical Society, 2018, 140, 4986-4990
4132043	CIF	C18 H19 N3 O4	P 1 21/c 1	17.388; 5.0944; 20.83 90; 106.664; 90	1767.7	Liu, Zhen; Ni, Hui-Qi; Zeng, Tian; Engle, Keary M. Catalytic Carbo- and Aminoboration of Alkenyl Carbonyl Compounds via Five- and Six-Membered Palladacycles. Journal of the American Chemical Society, 2018, 140, 3223-3227
4132044	CIF	C42 H57 F N O2 P Pd	P -1	10.566; 12.3759; 14.7842 107.368; 101.454; 94.717	1787.5	Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F. Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds. Journal of the American Chemical Society, 2018, 140, 4893-4904
4132045	CIF	C30 H45 F N O2 P Pd	P 1 21/c 1	8.2454; 16.806; 21.3582 90; 99.868; 90	2915.9	Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F. Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds. Journal of the American Chemical Society, 2018, 140, 4893-4904
4132046	CIF	C38 H57 F N O2 P Pd	P -1	11.1182; 11.9143; 14.2549 70.103; 73.8; 77.068	1687.6	Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F. Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds. Journal of the American Chemical Society, 2018, 140, 4893-4904
4132047	CIF	C45 H33 B Cl2 F20 Ir P	P -1	10.1418; 14.6984; 15.9199 74.683; 80.155; 83.512	2249.4	Klet, Rachel C.; Kaphan, David M.; Liu, Cong; Yang, Ce; Kropf, A. Jeremy; Perras, Frédéric A; Pruski, Marek; Hock, Adam S.; Delferro, Massimiliano Evidence for Redox Mechanisms in Organometallic Chemisorption and Reactivity on Sulfated Metal Oxides. Journal of the American Chemical Society, 2018, 140, 6308-6316
4132048	CIF	C H5 I3 N2 Pb0.743	P 4 b m	9.0452; 9.0452; 6.4036 90; 90; 90	523.91	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132049	CIF	C H0 I3 N2 Pb0.755	P 4/m b m	9.0452; 9.0452; 6.4036 90; 90; 90	523.91	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132050	CIF	C2 H10 I2 N2	I 1 2/m 1	15.54; 5.0795; 5.0964 90; 96.032; 90	400.06	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132051	CIF	C H5 I3 N2 Pb0.96	A m m 2	6.3652; 9.002; 9.0065 90; 90; 90	516.1	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132052	CIF	C2 H12 I4 N2 O2 Pb	C 1 2/m 1	16.492; 4.7532; 10.4165 90; 113.907; 90	746.5	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132053	CIF	C H6 I3 N Pb0.815	P 4 m m	6.343; 6.343; 6.34 90; 90; 90	255.1	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132054	CIF	C H0 I3 N Pb0.818	P m -3 m	6.342; 6.342; 6.342 90; 90; 90	255.1	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132055	CIF	C H0 I3 N Pb0.854	P m -3 m	6.3338; 6.3338; 6.3338 90; 90; 90	254.09	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132056	CIF	C H0 I3 N2 Pb0.946	P m -3 m	6.3663; 6.3663; 6.3663 90; 90; 90	258.02	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132057	CIF	C H6 I3 N Pb0.847	P 4 m m	6.3361; 6.3361; 6.329 90; 90; 90	254.09	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132058	CIF	C19 H17 N O	P 1 21 1	12.3598; 8.1021; 14.4042 90; 104.805; 90	1394.55	Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society, 2018, 140, 4489-4493
4132059	CIF	C55 H55 Cl3 N2 Ni	P 1 21 1	13.46881; 23.5381; 14.6728 90; 96.9576; 90	4617.47	Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society, 2018, 140, 4489-4493
4132060	CIF	C49 H48 N2	P 21 21 21	11.672; 18.1421; 18.3663 90; 90; 90	3889.1	Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society, 2018, 140, 4489-4493
4132061	CIF	C59 H52 Au Cl N2	C 2 2 21	17.77519; 19.4896; 16.16113 90; 90; 90	5598.72	Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society, 2018, 140, 4489-4493
4132062	CIF	C71 H65 Cl N2 Ni	P 1 21 1	12.34517; 21.7875; 22.0081 90; 98.0106; 90	5861.77	Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society, 2018, 140, 4489-4493
4132063	CIF	C51 H52 Au Cl5 N2	C 1 2 1	15.8368; 11.3047; 14.2276 90; 114.29; 90	2321.68	Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society, 2018, 140, 4489-4493
4132064	CIF	C26 H43 Fe P	P 1 21/n 1	8.6511; 22.3002; 12.8632 90; 95.8418; 90	2468.7	Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society, 2018, 140, 3880-3883
4132065	CIF	C32 H57 Fe N2 P Si	P 1 21/c 1	15.6114; 26.303; 16.3706 90; 90.023; 90	6722.2	Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society, 2018, 140, 3880-3883
4132066	CIF	C29 H43 Fe N2 P Si	P -1	10.3308; 10.7423; 13.3532 77.326; 83.547; 74.207	1389	Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society, 2018, 140, 3880-3883
4132067	CIF	C41.01 H60.01 Fe P Si	P n m a	27.887; 11.5982; 11.5654 90; 90; 90	3740.7	Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society, 2018, 140, 3880-3883
4132068	CIF	C32 H57 Fe P Si	P 1 21/c 1	12.1407; 10.2012; 26.3408 90; 90.418; 90	3262.2	Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society, 2018, 140, 3880-3883
4132069	CIF	C82 H118 Fe2 P2 Si2	P b c a	14.0318; 15.674; 33.3126 90; 90; 90	7326.6	Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society, 2018, 140, 3880-3883
4132070	CIF	C29 H34 N O3 P Pd	P 1 21/c 1	13.9333; 12.3236; 16.8031 90; 109.674; 90	2716.8	Zhu, Ru-Yi; Li, Zi-Qi; Park, Han Seul; Senanayake, Chris H.; Yu, Jin-Quan Ligand-Enabled γ-C(sp<sup>3</sup>)-H Activation of Ketones. Journal of the American Chemical Society, 2018, 140, 3564-3568
4132071	CIF	C18 H10 Au F9 I N3 O4 S2	P 1 21/n 1	8.1391; 18.5972; 16.2536 90; 101.985; 90	2406.59	Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society, 2018, 140, 4440-4445
4132072	CIF	C18 H10 Au F8 I2 N3 O4 S2	P 1 21/n 1	11.0172; 8.4253; 27.8416 90; 100.394; 90	2541.94	Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society, 2018, 140, 4440-4445
4132073	CIF	C31 H23 Au F8 I N3 O4 S2	P -1	9.7482; 18.0342; 20.0241 92.573; 102.927; 95.368	3408.1	Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society, 2018, 140, 4440-4445
4132074	CIF	C14 H10 Au F8 N3 O4 S2	P 1 21/c 1	8.1314; 14.0057; 17.569 90; 90.71; 90	2000.71	Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society, 2018, 140, 4440-4445
4132075	CIF	C16 H9 Au F8 I N3 O4 S3	P 1 21/c 1	14.6761; 10.1045; 16.7196 90; 108.482; 90	2351.54	Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society, 2018, 140, 4440-4445
4132076	CIF	C18 H10 Au Cl F8 I N3 O4 S2	P 1 21/c 1	8.2089; 16.0113; 19.2265 90; 97.1398; 90	2507.44	Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society, 2018, 140, 4440-4445
4132077	CIF	C19 H13 Au F8 I N3 O5 S2	P -1	8.1277; 12.1214; 12.9584 102.843; 96.108; 91.9896	1235.4	Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society, 2018, 140, 4440-4445
4132078	CIF	C87 H66 Cl13 Ir N2 O7 P2	P 1 21/c 1	28.2502; 12.9485; 28.5346 90; 117.361; 90	9270.2	Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M. Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations. Journal of the American Chemical Society, 2018, 140, 4697-4704
4132079	CIF	C25 H24 Br N O2	P 21 21 21	5.1673; 8.8734; 46.1987 90; 90; 90	2118.28	Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M. Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations. Journal of the American Chemical Society, 2018, 140, 4697-4704
4132080	CIF	C24 H24 Cl2 N2 O4	P 1 21/n 1	5.0689; 35.6007; 6.3931 90; 110.04; 90	1083.82	Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society, 2018, 140, 7519-7525
4132081	CIF	C24 H24 Cl2 N2 O4	P -1	4.641; 8.2418; 14.425 79.39; 83.33; 88.51	538.6	Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society, 2018, 140, 7519-7525
4132082	CIF	C22 H6 Br2 F14 N2 O4	P -1	5.1899; 6.6276; 18.7943 94.542; 95.57; 108.608	605.6	Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society, 2018, 140, 7519-7525
4132083	CIF	C24 H6 Cl2 F18 N2 O4	P -1	5.2089; 6.3003; 20.6203 83.772; 86.99; 69.934	631.8	Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society, 2018, 140, 7519-7525
4132084	CIF	C22 H6 Br2 F14 N2 O4	P 1 21/c 1	12.0361; 16.7027; 5.9578 90; 104.27; 90	1160.77	Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society, 2018, 140, 7519-7525
4132085	CIF	C78 H107 K N12 Ni4 O3	P -1	11.1186; 15.8136; 23.5352 73.085; 86.315; 69.691	3709.8	Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society, 2018, 140, 4929-4939
4132086	CIF	C79 H117 K N6 Ni2 O13	P b c m	11.2912; 25.8683; 27.1074 90; 90; 90	7917.6	Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society, 2018, 140, 4929-4939
4132087	CIF	C41 H57 N6 Ni2 O2.5	P 1 21/c 1	17.3032; 14.2469; 17.1692 90; 113.291; 90	3887.6	Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society, 2018, 140, 4929-4939
4132088	CIF	C39 H54 N6 Ni2 O	C 1 2/c 1	18.5261; 16.442; 13.6294 90; 118.32; 90	3654.7	Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society, 2018, 140, 4929-4939
4132089	CIF	C700 H862 N173 O140 P8	C 1 2/c 1	64.922; 38.8988; 43.3302 90; 93.821; 90	109182	Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society, 2018, 140, 5248-5256
4132090	CIF	C177.96 H221.9 N43.99 O40 P2	F d d d :2	24.088; 60.3283; 67.581 90; 90; 90	98208	Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society, 2018, 140, 5248-5256
4132091	CIF	C676.5 H419.5 K7 N157.25 O164 P8	I 1 2/a 1	43.47; 39.035; 58.398 90; 98.34; 90	98045	Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society, 2018, 140, 5248-5256
4132092	CIF	C19 H19 Br F3 N O2 S2	P 1 21 1	10.193; 7.5099; 13.7839 90; 103.819; 90	1024.59	Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules. Journal of the American Chemical Society, 2018, 140, 4782-4786
4132093	CIF	C18 H18 F4 S	P 21 21 21	5.6971; 7.5256; 37.5923 90; 90; 90	1611.74	Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules. Journal of the American Chemical Society, 2018, 140, 4782-4786
4132094	CIF	C16 H48 Ag Bi Br8 N4	C 1 2/m 1	27.0451; 8.1328; 8.4296 90; 90.081; 90	1854.11	Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society, 2018, 140, 5235-5240
4132095	CIF	C8 H24 Ag Bi Br7 Cs N2	P 1 21 1	8.014; 7.8357; 19.6573 90; 101.737; 90	1208.58	Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society, 2018, 140, 5235-5240
4132096	CIF	C8 H24 Ag Bi Br7 Cs N2	P 1 21/m 1	8.0848; 7.9801; 19.8422 90; 101.755; 90	1253.32	Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society, 2018, 140, 5235-5240
4132097	CIF	C16 H48 Ag Bi Br8 N4	P 1 21/c 1	8.1896; 8.0524; 26.779 90; 90.049; 90	1765.97	Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society, 2018, 140, 5235-5240
4132098	CIF	C10 H11 N O4	P 1 21/c 1	10.9576; 20.9044; 8.4845 90; 100.185; 90	1912.9	Discekici, Emre H.; St Amant, Andre H.; Nguyen, Shay N.; Lee, In-Hwan; Hawker, Craig J.; Read de Alaniz, Javier Endo and Exo Diels-Alder Adducts: Temperature-Tunable Building Blocks for Selective Chemical Functionalization. Journal of the American Chemical Society, 2018, 140, 5009-5013
4132099	CIF	C26 H18 N2 O10	P -1	7.3408; 11.2168; 14.4712 102.926; 91.521; 98.753	1145.57	Hou, Jing; Ee, Aloysius; Feng, Wei; Xu, Jin-Hui; Zhao, Yu; Wu, Jie Visible-Light-Driven Alkyne Hydro-/Carbocarboxylation Using CO<sub>2</sub> via Iridium/Cobalt Dual Catalysis for Divergent Heterocycle Synthesis. Journal of the American Chemical Society, 2018, 140, 5257-5263
4132100	CIF	C26 H23 Br N2	C 1 2 1	22.7031; 5.8682; 16.6098 90; 107.064; 90	2115.4	Yin, Yanli; Dai, Yating; Jia, Hongshao; Li, Jiangtao; Bu, Liwei; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong Conjugate Addition-Enantioselective Protonation of N-Aryl Glycines to α-Branched 2-Vinylazaarenes via Cooperative Photoredox and Asymmetric Catalysis. Journal of the American Chemical Society, 2018, 140, 6083-6087
4132101	CIF	C11 H19 Cl N O9 Ru2	P 1 21/n 1	8.1385; 11.9075; 18.1107 90; 95.295; 90	1747.6	Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution. Journal of the American Chemical Society, 2018, 140, 5326-5329
4132102	CIF	C51 H31 N5 O11 Ru3	P -1	8.7321; 21.947; 22.807 90.743; 93.98; 92.211	4356.5	Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution. Journal of the American Chemical Society, 2018, 140, 5326-5329
4132103	CIF	C68 H79 N5 O6	P c c n	43.3239; 25.6455; 10.7279 90; 90; 90	11919.4	Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society, 2018, 140, 4787-4791
4132104	CIF	C63 H63 N11 O7	P 1 c 1	9.6022; 17.0018; 17.6771 90; 102.232; 90	2820.35	Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society, 2018, 140, 4787-4791
4132105	CIF	C64 H71 N5 O4	P -1	9.0601; 10.8306; 27.6685 100.369; 93.561; 99.092	2625.63	Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society, 2018, 140, 4787-4791
4132106	CIF	C62 H65 N9 O4	P -1	11.0999; 20.1467; 24.9074 84.847; 81.686; 74.103	5293.25	Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society, 2018, 140, 4787-4791
4132107	CIF	C67 H62 Cl6 N16 O4	P 1 21/c 1	16.0021; 20.8606; 20.1134 90; 100.792; 90	6595.4	Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society, 2018, 140, 4787-4791
4132108	CIF	C15 H18 O2 Si	C 1 2 1	19.379; 5.3296; 15.117 90; 111.02; 90	1457.4	Cheng, Biao; Liu, Wenbo; Lu, Zhan Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes. Journal of the American Chemical Society, 2018, 140, 5014-5017
4132109	CIF	C46 H43 Cl2 Fe N3 O2	P 21 21 21	10.363; 19.5669; 20.1438 90; 90; 90	4084.6	Cheng, Biao; Liu, Wenbo; Lu, Zhan Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes. Journal of the American Chemical Society, 2018, 140, 5014-5017
4132110	CIF	C37 H57 N6 O17.5 P2	P -1	13.6131; 18.1837; 19.2192 101.101; 110.003; 92.825	4352.48	Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers. Journal of the American Chemical Society, 2018, 140, 5955-5961
4132111	CIF	C40 H44 F12 N8 O3 P2	P -1	8.8956; 11.9078; 21.3431 87.772; 84.389; 73.354	2155.55	Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers. Journal of the American Chemical Society, 2018, 140, 5955-5961
4132112	CIF	C34 H32 Cl2 N6 O2	P n a 21	44.7259; 26.8344; 13.927 90; 90; 90	16715.1	Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers. Journal of the American Chemical Society, 2018, 140, 5955-5961
4132113	CIF	C35 H34 N6 O6 S	P -1	12.3237; 13.4102; 13.7397 74.526; 85.761; 67.151	2015.52	Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers. Journal of the American Chemical Society, 2018, 140, 5955-5961
4132114	CIF	C13 H17 Cl O3 S	P 1 21/n 1	19.6959; 6.9198; 21.5771 90; 114.912; 90	2667.16	Li, Zhen; Jangra, Harish; Chen, Quan; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert Kinetics and Mechanism of Oxirane Formation by Darzens Condensation of Ketones: Quantification of the Electrophilicities of Ketones. Journal of the American Chemical Society, 2018, 140, 5500-5515

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