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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1550015	CIF	C16 F6 N4	R -3 :H	17.533; 17.533; 11.484 90; 90; 120	3057.3	Li, Jing; Duchemin, Ivan; Roscioni, Otello Maria; Friederich, Pascal; Anderson, Marie; Da Como, Enrico; Kociok-Köhn, Gabriele; Wenzel, Wolfgang; Zannoni, Claudio; Beljonne, David; Blase, Xavier; D'Avino, Gabriele Host dependence of the electron affinity of molecular dopants Materials Horizons, 2019, 6, 107
1550032	CIF	C34 H13 F28 N4 O Zn	P -1	13.983; 16.9424; 19.1273 77.146; 74.236; 75.997	4171.3	Sadhu, Subha; Aqueche, Kyler; Buffeteau, Thierry; Vincent, Jean-Marc; Hirsch, Lionel; Bassani, Dario M. Unexpected surface interactions between fluorocarbons and hybrid organic inorganic perovskites evidenced by PM-IRRAS and their application towards tuning the surface potential Materials Horizons, 2019, 6, 192
1550036	CIF	C55 H95 Co Li Mn O10	P -1	11.581; 20.328; 27.709 68.687; 88.434; 80.525	5990.4	Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V. Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries Chemical Science, 2019
1550037	CIF	C55 H95 Co0.5 Li Mn1.5 O10	P -1	11.5679; 20.2647; 27.742 68.6974; 88.552; 80.5081	5971.7	Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V. Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries Chemical Science, 2019
1550039	CIF	C27 H41 Cr N8 O9	C 1 2/c 1	30.214; 10.381; 23.797 90; 113.791; 90	6830	Seo, Junghee; Cabelof, Alyssa; Chen, Chun-Hsing; Caulton, Kenneth G. Selective Deoxygenation of Nitrate to Nitrosyl using Trivalent Chromium and the Mashima Reagent: Reductive Silylation Chemical Science, 2019
1550045	CIF	C268 H484 Ag80 F48 Mo16 N8 O120 S52	P 1 21/n 1	25.1615; 30.4928; 32.0095 90; 90.675; 90	24557.4	SU, Yanmin; Wang, Zhi; Zhuang, Gui-lin; Zhao, Quanqin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di Unusual fcc-Structured Ag10 Kernel Trapped in Ag70 Nanocluster Chemical Science, 2019
1550046	CIF	C142 H294 Ag80 F48 Mo16 N6 O114 S52	P -1	21.9533; 22.169; 22.999 111.88; 109.228; 92.0299	9646.4	SU, Yanmin; Wang, Zhi; Zhuang, Gui-lin; Zhao, Quanqin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di Unusual fcc-Structured Ag10 Kernel Trapped in Ag70 Nanocluster Chemical Science, 2019
1550051	CIF	C18 H23 N5 O	P 1 21/n 1	8.8828; 19.2484; 10.8095 90; 113.471; 90	1695.3	Choi, Yoona; Kim, Heejun; Park, Seung Bum Divergent Synthetic Pathway for Pyrimidine-Embedded Medium-Sized Azacycles through N-quaternizing Strategy Chemical Science, 2019
1550052	CIF	C17 H22 N5 O	P -1	9.7756; 12.9665; 12.9912 84.4412; 86.9004; 84.193	1628.9	Choi, Yoona; Kim, Heejun; Park, Seung Bum Divergent Synthetic Pathway for Pyrimidine-Embedded Medium-Sized Azacycles through N-quaternizing Strategy Chemical Science, 2019
1550053	CIF	C50 H84 N2 O8 V	C 1 2/c 1	12.8268; 21.9164; 17.7812 90; 99.648; 90	4927.9	Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph Counterion Influence on Dynamic Spin Properties in a V(IV) Complex Chemical Science, 2019
1550054	CIF	C54 H92 N2 O6 V	C 1 c 1	21.013; 23.356; 15.4 90; 132.546; 90	5568	Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph Counterion Influence on Dynamic Spin Properties in a V(IV) Complex Chemical Science, 2019
1550095	CIF	C22 H14 N2 O	P b c a	8.23403; 10.88902; 34.457 90; 90; 90	3089.43	Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C. Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 140-147
1550096	CIF	C41 H56 N8 O20 S4	I 41/a :2	25.7276; 25.7276; 7.7202 90; 90; 90	5110.1	Sozzani, Piero; Xing, Guolong; Bassanetti, Irene; Bracco, Silvia; Negroni, Mattia; Bezuidenhout, Charl; Ben, Teng; Comotti, Angiolina Double Helix of Opposite Charges to Form Channels with Unique CO2 Selectivity and Dynamics Chemical Science, 2019
1550097	CIF	C41 H40 N8 O12 S4	I 41/a :2	25.1179; 25.1179; 7.6702 90; 90; 90	4839.2	Sozzani, Piero; Xing, Guolong; Bassanetti, Irene; Bracco, Silvia; Negroni, Mattia; Bezuidenhout, Charl; Ben, Teng; Comotti, Angiolina Double Helix of Opposite Charges to Form Channels with Unique CO2 Selectivity and Dynamics Chemical Science, 2019
1550098	CIF	C52 H58 Cl2 N10 O8 Pd	P -1	10.6996; 11.6143; 11.6936 73.834; 68.49; 74.621	1276.66	Kartha, Kalathil K.; Allampally, Naveen Kumar; Politi, Antiope T.; Prabhu, Deepak Dayanandan; Ouchi, Hayato; Albuquerque, Rodrigo Q.; Yagai, Shiki; Fernandez, Gustavo Influence of Metal Coordination and Light Irradiation on Hierarchical Self-Assembly Processes Chemical Science, 2019
1550126	CIF	C36 H60 K6 N12 O68 Rh4 S12 Zn4	P 21 3	23.5257; 23.5257; 23.5257 90; 90; 90	13020.5	Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019
1550127	CIF	C36 H60 N12 Na O79 Rh4 S12 Zn4	P 21 3	23.574; 23.574; 23.574 90; 90; 90	13101	Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019
1550128	CIF	C36 H60 N12 O77.5 Rh4 S12 Zn4	P 21 3	23.55; 23.55; 23.55 90; 90; 90	13061	Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019
1550131	CIF	C16 H20 O2	P 21 21 21	5.5263; 7.588; 31.5641 90; 90; 90	1323.6	Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019
1550132	CIF	C11 H16 O	I 41/a	22.7253; 22.7253; 7.5782 90; 90; 90	3913.68	Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019
1550133	CIF	C24 H32 O8	P 1 21 1	7.4736; 20.0163; 8.2616 90; 113.345; 90	1134.71	Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019
1550134	CIF	C19 H18 F2 O	R -3	26.8452; 26.8452; 11.2309 90; 90; 120	7009.36	Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019
1550135	CIF	C24 H32 O9	P 1 21 1	11.1125; 8.0779; 13.1558 90; 98.011; 90	1169.41	Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019
1550136	CIF	C18 H24 O5	P 1 21 1	8.032; 6.3518; 16.1371 90; 93.7797; 90	821.49	Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019
1550137	CIF	C128 H72 Cd4 N16 O16 S8 Se4	P -1	15.868; 19.123; 26.124 82.02; 87.25; 89.73	7841	Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units Chemical Science, 2019
1550138	CIF	C64 H36 N8 O8 S4 Se2 Zn2	P 1 21/c 1	25.811; 18.453; 15.943 90; 90.91; 90	7593	Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units Chemical Science, 2019
1550149	CIF	C40 H47 Cl3 Co F6 Ni P3 S2	P 1 21/n 1	14.1464; 13.3562; 25.4313 90; 103.789; 90	4666.6	Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019
1550150	CIF	C41 H49 B Cl4 Co F4 Ni P2 S2	P -1	10.9745; 13.331; 17.0646 78.527; 79.83; 69.506	2276.23	Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019
1550151	CIF	C40 H47 B Cl2 Co F4 Ni P2 S2	P 1 21/n 1	12.9111; 20.1158; 16.543 90; 99.543; 90	4237.04	Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019
1550152	CIF	C39 H45 Co Ni P2 S2	P 1 21/n 1	12.4735; 15.403; 19.4262 90; 106.452; 90	3579.53	Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019
1550153	CIF	C49 H60 B2 Co F8 N5 Ni P2 S2	P c a 21	21.9622; 11.6996; 20.9046 90; 90; 90	5371.4	Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019
1550154	CIF	C124 H56 Lu2 N4 Ni S0	C 1 2/m 1	23.1698; 13.7779; 18.0308 90; 93.776; 90	5743.5	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550155	CIF	C126 H56 Lu2 N4 Ni	C 1 2/m 1	25.274; 14.939; 19.653 90; 93.796; 90	7404	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550156	CIF	C126 H50 Lu2 N4 Ni	C 1 2/m 1	25.41; 15.11; 19.917 90; 94.51; 90	7623	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550157	CIF	C130 H50 Lu2 N4 Ni	P -1	14.604; 15.012; 19.852 85.556; 88.966; 62.445	3846	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550158	CIF	C136 H53.6 Lu2 N4 Ni S0.8	P -1	14.749; 15.029; 19.899 84.624; 88.62; 62.644	3899	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550159	CIF	C292 H144 Lu4 N12 Ni3	C 1 2/m 1	24.454; 18.039; 22.303 90; 101.767; 90	9632	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550160	CIF	C128 H56 Lu2 N4 Ni	C 1 2/m 1	25.186; 15.099; 19.694 90; 94.158; 90	7470	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550161	CIF	C296 H144 Lu6 N14 Ni3	C 1 2/m 1	24.634; 17.744; 23.328 90; 103.22; 90	9927	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550162	CIF	C136 H56 Lu2 N4 Ni S0	C 1 2/m 1	24.121; 18.19; 18.497 90; 90.466; 90	8115	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550163	CIF	C134 H56 Lu2 N4 Ni	C 1 2/m 1	24.149; 18.02; 18.486 90; 90.22; 90	8044	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019
1550164	CIF	B4.09 Ba4 Bi2 O29 Si7.91	I -4 2 m	11.0254; 11.0254; 10.3961 90; 90; 90	1263.74	Tang, Ruling; Hu, Chun-Li; Mao, Feifei; Feng, Jianghe; Mao, Jianggao Ba4Bi2(Si8-xB4+xO29)(x=0.09): A New Acentric Metal Borosilicate as Promising Nonlinear Optical Material Chemical Science, 2019
1550165	CIF	C25 H39 Ir O2 Si	P 21 21 21	7.70304; 11.49824; 26.9058 90; 90; 90	2383.08	Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science, 2019
1550166	CIF	C22 H31 Ir O2	I 1 2 1	10.8334; 8.23239; 22.2298 90; 98.0838; 90	1962.86	Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science, 2019
1550167	CIF	C17 H28 O2 Si	P 21 21 21	7.53335; 10.27117; 22.6089 90; 90; 90	1749.39	Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science, 2019
1550168	CIF	C40 H43 Ir O2 Si	P 1 21 1	10.1531; 14.0965; 23.1228 90; 102.019; 90	3236.86	Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science, 2019
1550174	CIF	C33 H33 N3 O2	P -1	9.0397; 12.5823; 12.8196 86.214; 73.428; 72.357	1331.5	Das, Dipankar; Alam, Rabiul; Katarkar, Atul; Ali, Mahammad A differentially selective probe for trivalent chemosensor upon single excitation with cell imaging application: potential applications in combinatorial logic circuit and memory devices. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 242-252
1550175	CIF	C25 H21 Ba N O10	P -1	7.9225; 12.5631; 14.0398 114.96; 94.483; 104.346	1200.53	Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups Chemical Science, 2019
1550176	CIF	C24.5 H31.5 Ba2 N0.5 O19.5	P -1	9.3111; 12.4288; 14.3649 83.592; 85.579; 82.416	1634.27	Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups Chemical Science, 2019
1550177	CIF	C26.5 H25.5 Ba2 N1.5 O11	P 1 21/c 1	11.44352; 17.2735; 14.1871 90; 92.302; 90	2802.1	Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups Chemical Science, 2019
1550178	CIF	C20 H24 Cl2 N2 Ru	P -1	8.2597; 10.958; 12.6335 66.777; 75.242; 70.583	980.91	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019
1550179	CIF	C100 H121 K N4 O10 Ru4	P -1	9.3201; 15.1082; 17.7752 110.273; 96.128; 106.322	2194.55	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019
1550180	CIF	C42 H40 N2 Ru2	P -1	13.4659; 14.5842; 17.9402 83.467; 80.563; 79.39	3403.4	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019
1550181	CIF	C76 H107.92 K2 N2 O16 Ru2	P 1 21/c 1	13.8109; 28.5059; 19.585 90; 91.4431; 90	7708	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019
1550182	CIF	C42.94 H37 F3 N2 O4.5 Ru2 S	P 21 21 2	21.316; 29.316; 12.6238 90; 90; 90	7889	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019
1550185	CIF	C14.4 H23.21 N2 Ni S2	P 1 21/c 1	9.613; 10.3609; 15.3479 90; 93.156; 90	1526.32	Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019
1550186	CIF	C14 H22 N2 Ni S Se	P 1 21/c 1	8.3021; 16.204; 11.629 90; 107.667; 90	1490.6	Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019
1550187	CIF	C21 H30 B Cl2 F4 Fe N2 Ni O2 S Se	P -1	11.436; 11.886; 12.406 108.489; 114.188; 103.182	1328.1	Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019
1550188	CIF	C20 H27 B F4 Fe N2 Ni O S Se	P 1 21/c 1	8.7518; 21.0078; 13.1915 90; 104.227; 90	2350.95	Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019
1550189	CIF	C20 H27 B F4 Fe N2 Ni O S Se	P b c a	16.309; 11.4239; 24.8441 90; 90; 90	4628.8	Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019
1550190	CIF	C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2	P b c a	16.2504; 11.3127; 24.8851 90; 90; 90	4574.8	Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019
1550191	CIF	C52 H56 Co N5 Ni	P 1 c 1	11.6597; 16.9613; 12.2584 90; 116.63; 90	2167.1	Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019
1550192	CIF	C135 H111 N20 Ni4	C 1 2 1	28.6944; 7.3064; 28.2539 90; 113.099; 90	5448.6	Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019
1550193	CIF	C45 H48 N6 Ni O2	P -1	11.8068; 13.0124; 13.3226 71.802; 84.699; 79.232	1908.9	Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019
1550194	CIF	C37 H31 N6 Ni	P -1	10.8266; 12.1078; 12.8979 91.267; 114.454; 93.084	1535.01	Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019
1550195	CIF	C64 H54 N10 Ni2 O	P -1	12.0657; 23.067; 23.079 76.493; 81.913; 81.444	6138.6	Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019
1550196	CIF	C32 H48 Cl2 Fe7 N52 O8	P -1	11.4046; 12.5476; 13.4127 93.108; 94.573; 98.46	1888.2	Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Stamatatos, Theocharis; Dunbar, Kim R. Rare “Janus”-Faced {FeII7} Single-Molecule Magnet Exhibiting Intramolecular Ferromagnetic Interactions Chemical Science, 2019
1550201	CIF	C27 H36 N Sc Si2	P 21 21 21	10.299; 15.4938; 17.3672 90; 90; 90	2771.3	Liu, Bo; Wang, Lingfang; Wu, Chunji; Cui, Dongmei Sequence-controlled ethylene/styrene copolymerization catalyzed by scandium complexes Polymer Chemistry, 2019, 10, 235
1550202	CIF	C100 H158 Ag10 N70 O60	P 1 21/c 1	25.5741; 26.2813; 24.8077 90; 110.412; 90	15626.8	Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires Chemical Science, 2019
1550203	CIF	C80 H112 Ag8 B8 F32 N48 O16	P 21 21 21	21.799; 22.6096; 26.0615 90; 90; 90	12844.8	Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires Chemical Science, 2019
1550204	CIF	C80 H112 Ag8 Cl8 N48 O48	P 21 21 21	21.9528; 22.8449; 26.174 90; 90; 90	13126.5	Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires Chemical Science, 2019
1550206	CIF	C10 H28 I4 N2 Pb	P 1 21/c 1	15.0424; 9.2398; 8.5756 90; 106.155; 90	1144.85	Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B. Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching Chemical Science, 2019
1550207	CIF	C8 H26 I4 N2 Pb	P 42/n c m	8.9353; 8.9353; 24.9636 90; 90; 90	1993.08	Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B. Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching Chemical Science, 2019
1550208	CIF	C16 H40 I4 N2 Pb	P 1 21/c 1	18.6958; 8.8497; 8.8421 90; 95.3669; 90	1456.53	Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B. Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching Chemical Science, 2019
1550209	CIF	C14 H36 I4 N2 Pb	P 1 21/c 1	17.4586; 9.2513; 8.5864 90; 103.223; 90	1350.06	Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B. Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching Chemical Science, 2019
1550210	CIF	C25 H22 B F2 N O4	P 1 21 1	5.3887; 13.7558; 14.4712 90; 91.531; 90	1072.31	Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters Chemical Science, 2019
1550211	CIF	C23 H26 B F2 N O4	P 1	10.235; 10.796; 20.224 92.916; 103.825; 90.9	2166.2	Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters Chemical Science, 2019
1550212	CIF	C69.5 H32 N2 O36 Zr6	P 1 2/m 1	19.6381; 12.631; 19.6354 90; 119.994; 90	4218.3	Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K. Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization Chemical Science, 2019
1550213	CIF	C69 H32 Br4 O32 Zr6	P 6/m m m	39.5745; 39.5745; 12.1936 90; 90; 120	16538.4	Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K. Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization Chemical Science, 2019
1550214	CIF	C70 H106 Co2 N4 O	P -1	13.4757; 21.712; 25.061 95.195; 102.214; 97.097	7059.9	Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L. Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate Chemical Science, 2019
1550215	CIF	C71 H106 Co2 N4 O3	C 1 c 1	20.919; 28.234; 24.42 90; 114.237; 90	13152	Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L. Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate Chemical Science, 2019
1550218	CIF	C44 H36 D24 Mo2 O12 S4	P -1	10.066; 11.5; 12.806 67.91; 88.31; 67.8	1260.8	Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W. M24+ paddlewheel clusters as junction points in single-chain nanoparticles Polymer Chemistry, 2019, 10, 86
1550219	CIF	C44 H60 Cu2 O12 S4	P n a 21	14.0648; 22.4851; 15.6445 90; 90; 90	4947.5	Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W. M24+ paddlewheel clusters as junction points in single-chain nanoparticles Polymer Chemistry, 2019, 10, 86
1550220	CIF	C19 H17 N O	P 21 21 21	6.2744; 14.5625; 15.6489 90; 90; 90	1429.85	Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement Chemical Science, 2019
1550221	CIF	C28 H26 N2 O2	P 1 21/c 1	21.9831; 13.325; 16.5868 90; 112.177; 90	4499.3	Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement Chemical Science, 2019
1550222	CIF	C27 H28 N2 O2	P -1	7.5024; 9.4863; 15.949 93.783; 95.871; 109.707	1056.9	Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement Chemical Science, 2019
1550223	CIF	C27 H25 N2 O	P 1 21/c 1	9.3848; 17.3334; 12.7967 90; 94.091; 90	2076.34	Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement Chemical Science, 2019
1550224	CIF	C80 H140 K4 N4 O8 Si4	P 1 21/n 1	17.2292; 21.1408; 24.5871 90; 92.4269; 90	8947.5	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550225	CIF	C80 H140 K4 N4 O14 Si4	P -1	11.7068; 13.9065; 14.2431 93.271; 99.115; 95.176	2274.16	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550226	CIF	C28 H46 Cl2 In K N2 O Si2	I 1 2/a 1	18.8952; 13.1861; 27.8641 90; 100.042; 90	6836.1	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550227	CIF	C31 H49 Cl2 In K N2 O Si2	I 1 2/a 1	18.7078; 13.15883; 30.1739 90; 101.73; 90	7272.86	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550228	CIF	C36 H66 K2 N2 O3 Si2	P -1	10.0422; 11.962; 17.7445 93.171; 96.478; 92.102	2112.72	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550229	CIF	C59 H99 In2 K2 N4 O2 Si4	I 1 2/a 1	23.2852; 17.27697; 36.472 90; 108.506; 90	13913.9	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550230	CIF	C55 H93 In K N5 O7 Si2	P -1	12.5559; 13.5443; 18.8336 75.5576; 81.034; 80.79	3039.06	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550231	CIF	C102 H146 In2 K2 N6 O2 Si4	P 1 21/n 1	23.6145; 17.0543; 25.7456 90; 97.4553; 90	10280.8	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550232	CIF	C71 H87 In K N3 O Si2	P 1 21/c 1	12.6009; 25.6091; 19.60255 90; 91.8549; 90	6322.38	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550233	CIF	C72 H108 In K N6 O7 Si2	P 1 21/c 1	14.16789; 26.894; 19.8817 90; 103.597; 90	7363.24	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550234	CIF	C94 H148 In2 K2 N12 O2 Si6	P -1	17.0589; 18.1114; 18.1867 69.847; 89.715; 79.713	5180.4	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550235	CIF	C120 H168 In2 K2 N12 O2 Si4	C 1 2/c 1	31.129; 12.5964; 30.835 90; 102.941; 90	11783.7	Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019
1550238	CIF	C20 H24 Cl2 N2 Ru	P -1	8.2597; 10.958; 12.6335 66.777; 75.242; 70.583	980.91	Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019
1550239	CIF	C100 H121 K N4 O10 Ru4	P -1	9.3201; 15.1082; 17.7752 110.273; 96.128; 106.322	2194.55	Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019
1550240	CIF	C42 H40 N2 Ru2	P -1	13.4659; 14.5842; 17.9402 83.467; 80.563; 79.39	3403.4	Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019
1550241	CIF	C76 H107.92 K2 N2 O16 Ru2	P 1 21/c 1	13.8109; 28.5059; 19.585 90; 91.4431; 90	7708	Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019
1550242	CIF	C42.94 H37 F3 N2 O4.5 Ru2 S	P 21 21 2	21.316; 29.316; 12.6238 90; 90; 90	7889	Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019
1550243	CIF	C9 H12 Hg2 I4 N4 S2	C 1 2/c 1	38.111; 7.4534; 16.3979 90; 113.273; 90	4278.9	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225
1550244	CIF	C22 H36 Cl4 Hg2 N8 O2 S6	C 1 2/m 1	17.9245; 12.3888; 10.6773 90; 126.485; 90	1906.3	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225
1550245	CIF	C15 H20 N4 O4 S2	C 1 2/c 1	7.2921; 7.8235; 30.636 90; 93.61; 90	1744.3	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225
1550246	CIF	C18 H24 Br4 Hg2 N8 S4	C 1 2/m 1	17.7977; 12.295; 10.8212 90; 125.868; 90	1918.9	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225
1550247	CIF	C10 H16 Hg2 I4 N4 S2	P b c a	10.1454; 15.0815; 15.2995 90; 90; 90	2340.94	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225
1550248	CIF	C10 H16 Br2 Hg N4 S2	P 1 21/n 1	9.6186; 14.2021; 13.5419 90; 108.982; 90	1749.3	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225
1550249	CIF	C15 H24 Hg2 I4 N6 S3	P 1 21/c 1	18.3607; 14.7466; 11.7959 90; 107.761; 90	3041.6	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225
1550252	CIF	C16 H37 N Se	C 1 2/c 1	14.1628; 14.0547; 19.8443 90; 110.832; 90	3691.9	Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D. Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion Chemical Science, 2019
1550253	CIF	C36 H31 F18 N4 O3	P -1	13.8015; 18.0488; 18.1383 103.008; 102.996; 105.924	4030.4	Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D. Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion Chemical Science, 2019
1550254	CIF	C74 H111 N5 O6 Se	P 1 21/n 1	9.5547; 30.3155; 26.1228 90; 90.476; 90	7566.4	Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D. Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion Chemical Science, 2019
1550255	CIF	C14 H21 B N2 O2	I 1 2/a 1	22.1499; 7.8915; 17.5288 90; 111.175; 90	2857.09	Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters. Chemical Science, 2019
1550256	CIF	C10 H19 B N2 O2	P 1 21 1	6.6119; 12.8257; 7.7086 90; 111.978; 90	606.2	Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters. Chemical Science, 2019
1550257	CIF	C30 H41 B N2 O2	P 1 21 1	9.1072; 15.5083; 9.6094 90; 95.872; 90	1350.08	Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters. Chemical Science, 2019
1550258	CIF	C10 H17 B F2 N2 O2	P 1 21 1	6.6658; 13.0852; 7.7113 90; 112.529; 90	621.28	Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters. Chemical Science, 2019
1550259	CIF	C9 H15 B N2 O2	P 1 21/n 1	8.6843; 10.1231; 12.0573 90; 100.885; 90	1040.91	Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters. Chemical Science, 2019
1550260	CIF	C24 H37 B N2 O2	P 21 21 21	11.9618; 13.0959; 15.6088 90; 90; 90	2445.13	Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters. Chemical Science, 2019
1550261	CIF	C92 H168 Na O43 Ti8	P 1 21/c 1	24.83; 16.876; 31.391 90; 98.121; 90	13022	Saouma, Caroline T.; Tsou, Chih-Chin; Richard, Sarah; Ameloot, Rob; Vermoortele, Frederik; Smolders, Simon; Bueken, Bart; Valdez, Carolyn; DiPasquale, Antonio; Kaminsky, Werner; De Vos, Dirk; Mayer, James M. Sodium-Coupled Electron Transfer Reactivity of Metal-Organic Frameworks Containing Titanium Clusters: The Importance of Cations in Redox Chemistry Chemical Science, 2019
1550262	CIF	C124 H210 Co N12 O40 Ti8	P 4/n c c	19.6778; 19.6778; 38.0292 90; 90; 90	14725.5	Saouma, Caroline T.; Tsou, Chih-Chin; Richard, Sarah; Ameloot, Rob; Vermoortele, Frederik; Smolders, Simon; Bueken, Bart; Valdez, Carolyn; DiPasquale, Antonio; Kaminsky, Werner; De Vos, Dirk; Mayer, James M. Sodium-Coupled Electron Transfer Reactivity of Metal-Organic Frameworks Containing Titanium Clusters: The Importance of Cations in Redox Chemistry Chemical Science, 2019
1550263	CIF	C123 H135 F3 N4 O10	P -1	16.011; 17.232; 19.864 68.468; 77.568; 82.152	4968.5	Milton, Margarita; Schuster, Nathaniel J.; Paley, Daniel W.; Hernández Sánchez, Raúl; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin Defying strain in the synthesis of an electroactive bilayer helicene Chemical Science, 2019
1550264	CIF	C113 H118 N4 O9	P -1	15.2191; 16.2207; 19.6692 75.736; 74.285; 76.47	4456.7	Milton, Margarita; Schuster, Nathaniel J.; Paley, Daniel W.; Hernández Sánchez, Raúl; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin Defying strain in the synthesis of an electroactive bilayer helicene Chemical Science, 2019
1550265	CIF	C38 H60 Mo13 N10 O34	C m c m	24.715; 23.137; 13.595 90; 90; 90	7774	Luo, Benlong; Sang, Rui-LI; Lin, Lifang; Xu, Li Mo3IV-Polyoxomolybdates with Frustrated Lewis Pairs For High-Performance Hydrogenation Catalysis Catalysis Science & Technology, 2019
1550266	CIF	C72 H36 Cu1.5 N6 O26 Zr6	I m -3 m	38.452; 38.452; 38.452 90; 90; 90	56853.4	Yu, Chung Jui; Krzyaniak, Matthew D.; Fataftah, Majed S.; Wasielewski, Michael R.; Freedman, Danna A Concentrated Array of Copper Porphyrin Candidate Qubits Chemical Science, 2019
1550267	CIF	C11 H16 Br2 Cu2 N4	P n n 2	17.5605; 9.4899; 9.611 90; 90; 90	1601.6	Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing Copper(i)-polymers and their photoluminescence thermochromism properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 477-486
1550268	CIF	C4 H5 Cu I N	P b c n	4.2749; 16.1161; 17.0121 90; 90; 90	1172.04	Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing Copper(i)-polymers and their photoluminescence thermochromism properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 477-486
1550269	CIF	C18 H14 Cu I N4	P 1 21/n 1	10.0197; 7.6791; 22.4578 90; 101.735; 90	1691.8	Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing Copper(i)-polymers and their photoluminescence thermochromism properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 477-486
1550270	CIF	C11 H16 Br2 Cu2 N4	P n n 2	17.6696; 9.5533; 9.5747 90; 90; 90	1616.24	Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing Copper(i)-polymers and their photoluminescence thermochromism properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 477-486
1550271	CIF	C56 H48 Au O4 P S4	P -1	11.913; 13.949; 15.859 81.424; 72.882; 79.945	2466.5	McGuire, Jake; Miras, Haralampos; Richards, Emma; Sproules, Stephen Enabling Single Qubit Addressability in a Molecular Semiconductor Comprising Gold-Supported Organic Radicals Chemical Science, 2019
1550272	CIF	C33 H28 Au Cl2 O4 S4	P 1 21/c 1	11.584; 15.448; 9.441 90; 102.511; 90	1649.3	McGuire, Jake; Miras, Haralampos; Richards, Emma; Sproules, Stephen Enabling Single Qubit Addressability in a Molecular Semiconductor Comprising Gold-Supported Organic Radicals Chemical Science, 2019
1550279	CIF	C20 H32 Cl4 Co2 N4 S2	P -1	7.6862; 11.1085; 17.7851 72.8236; 88.0499; 70.2746	1362.03	Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G. Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins Catalysis Science & Technology, 2019
1550280	CIF	C11 H18 Cl2 Co N2 S	P -1	7.0681; 9.014; 12.2372 108.21; 98.899; 99.291	713.18	Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G. Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins Catalysis Science & Technology, 2019
1550281	CIF	C46 H39 B F24 Fe N O3 P2	P -1	12.4386; 19.8125; 23.4119 67.1494; 86.3179; 85.5446	5297.1	Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding Chemical Science, 2019
1550282	CIF	C16 H29 F6 Fe N O9 P2 S2	P 1 21/c 1	16.081; 11.2301; 15.4862 90; 106.408; 90	2682.8	Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding Chemical Science, 2019
1550283	CIF	C38 H28 B F20 Fe N O3 P2	P 1 21/n 1	10.343; 23.935; 16.484 90; 96.014; 90	4058.3	Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding Chemical Science, 2019
1550284	CIF	C14 H28 B F4 Fe N O3 P2	P 1 21/c 1	14.7564; 10.0345; 15.8101 90; 117.783; 90	2071.2	Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding Chemical Science, 2019
1550285	CIF	C14 H27 Fe N O3 P2	P 1 21/c 1	12.6009; 10.8786; 14.531 90; 109.196; 90	1881.2	Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding Chemical Science, 2019
1550286	CIF	C15 H28 F3 Fe N O6 P2 S	P -1	9.893; 10.456; 12.269 98.65; 111.652; 95.223	1151.2	Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding Chemical Science, 2019
1550287	CIF	C24 H27 N O2	P 1 21/n 1	12.0936; 12.9722; 13.334 90; 97.167; 90	2075.5	Situ, Bo; Gao, Meng; He, Xiaojing; Li, Shiwu; He, Bairong; Guo, Fengxia; Kang, Chunmin; Liu, Shan; Yang, Lei; Jiang, Meijuan; Hu, Yanwei; Tang, Ben Zhong; Zheng, Lei A two-photon AIEgen for simultaneous dual-color imaging of atherosclerotic plaques Materials Horizons, 2019, 6, 546
1550289	CIF	C53.5 H66 Cl3 N4 O1.5 Ru	P -1	11.961; 16.591; 26.614 93.877; 90.681; 98.321	5212.6	DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology, 2019
1550290	CIF	C63 H82 Cl2 N4 Ru	P 1 21/n 1	11.206; 15.0047; 33.7602 90; 96.909; 90	5635.3	DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology, 2019
1550291	CIF	C53 H62 Cl2 N4 Ru	P -1	12.017; 12.562; 16.608 80.103; 89.839; 70.644	2326.2	DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology, 2019
1550292	CIF	C56 H68 Cl4 N4 Ru	P 1 21/c 1	21.792; 10.9906; 22.5146 90; 107.445; 90	5144.4	DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology, 2019
1550293	CIF	C20 H17 Br N2 Ni O	C 1 c 1	11.964; 20.02; 7.423 90; 90.11; 90	1778	Ueda, Yohei; Tsujimoto, Nagataka; Yurino, Taiga; Tsurugi, Hayato; Mashima, Kazushi Nickel-catalyzed Cyanation of Aryl Halides and Triflates Using Acetonitrile via the C—CN Bond Cleavage Assisted by 1,4-Bis(trimethylsilyl)-2,3,5,6-tetramethyl-1,4-dihydropyrazine Chemical Science, 2019
1550296	CIF	C43 H37 B N2	P -1	8.489; 12.387; 17.4 98.386; 100.888; 91.61	1774.6	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550297	CIF	C45 H37 B N2 S	P -1	9.741; 13.927; 15.334 63.989; 89.736; 69.795	1727.7	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550298	CIF	C47.5 H40.5 B Cl N2	C 1 c 1	22.13; 17.76; 19.24 90; 106.15; 90	7263	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550299	CIF	C43 H37 B N2	P -1	9.296; 18.788; 19.886 111.16; 90.63; 97.62	3204	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550300	CIF	C45 H37 B N2 S	P -1	11.145; 12.992; 14.196 64.16; 75.45; 73.97	1758	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550301	CIF	C24 H54 Ag6 S6	P -1	10.4774; 12.5886; 16.437 71.344; 87.354; 71.435	1943.4	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550302	CIF	C6.96 H5.78 B0.15 N0.3	P -1	13.873; 16.28; 17.74 86.66; 80.14; 72.27	3760	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550303	CIF	C41 H35 B N2 S	P 1 21/c 1	13.384; 12.918; 22.321 90; 125.5; 90	3141.8	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550304	CIF	C43 H38 B N2	P -1	8.1887; 13.353; 15.493 81.008; 83.598; 78.061	1631.5	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550305	CIF	C43 H37 B N2	P -1	9.196; 14.091; 14.197 74.441; 87.034; 75.138	1712.7	Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone Chemical Science, 2019
1550306	CIF	C47 H59 B N2	P 1 21/n 1	11.2461; 23.0691; 15.3687 90; 98.7643; 90	3940.66	Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions Chemical Science, 2019
1550307	CIF	C43 H52 B N2 O5	P 1 21/n 1	12.6081; 14.3388; 22.0714 90; 98.028; 90	3951.1	Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions Chemical Science, 2019
1550308	CIF	C40 H47.5 B0.5 N2 O4.5	P 21 21 2	19.3779; 14.5134; 13.085 90; 90; 90	3680	Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions Chemical Science, 2019
1550309	CIF	C39 H47 Cl N2 O	P n a 21	18.4291; 13.1243; 14.5076 90; 90; 90	3508.9	Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions Chemical Science, 2019
1550310	CIF	C23 H56 F3 N2 O3 P4 Rh S	P 1 21/n 1	10.1497; 11.3546; 29.0077 90; 95.69; 90	3326.5	Walsh, Aaron P.; Laureanti, Joseph A.; Katipamula, Sriram; Chambers, Geoffrey M.; Priyadarshani, Nilusha; Lense, Sheri; Bays, J. Timothy; Linehan, John C.; Shaw, Wendy J. Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO<sub>2</sub> hydrogenation. Faraday discussions, 2019, 215, 123-140
1550318	CIF	C39 H49 Co N2 P5	P -1	8.295; 10.3193; 23.1847 84.114; 82.677; 80.838	1936.4	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550319	CIF	C41 H53 Co N2 P5	P -1	11.5086; 12.6623; 16.1055 71.013; 69.473; 70.661	2014.97	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550320	CIF	C45 H57 Co N2 P5	P -1	11.0975; 12.9085; 16.7384 68.191; 88.775; 72.802	2116.1	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550321	CIF	C77 H111 Co Ga K N4 O6 P4	P 21 21 21	13.84854; 21.0014; 27.3815 90; 90; 90	7963.6	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550322	CIF	C69 H89.27 Co Ga N4 O P5	P -1	12.5761; 16.9742; 17.4872 97.67; 101.165; 94.952	3605.33	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550323	CIF	C68 H90 Co Ga N4 P5	P -1	12.0909; 12.7157; 21.8419 99.628; 94.661; 102.632	3206.3	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550324	CIF	C54 H80 Co K N2 O8	P -1	15.3646; 25.7695; 27.6375 105.439; 90.5348; 90.8565	10545.7	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550325	CIF	C67 H89 Co Ga K N4 O4 P4	P -1	15.4512; 16.1163; 16.5636 94.7947; 103.148; 98.1715	3946.85	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550326	CIF	C68 H90 Co Ga N4 P5	P -1	12.0763; 12.7169; 21.8615 99.614; 94.655; 102.639	3205.7	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550327	CIF	C75 H88 Cl Co F2 Ga N4 P5	P -1	11.8741; 12.4783; 24.9702 89.008; 77.087; 78.673	3534.62	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt Chemical Science, 2019
1550328	CIF	C47 H38 F6 Ir N2 P3	P 1 21/c 1	16.9747; 12.0886; 21.1714 90; 103.859; 90	4217.91	Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging Chemical Science, 2019
1550329	CIF	C49 H38 F6 Ir N2 O2 P3	P 1 21 1	10.539; 19.2351; 10.9341 90; 104.941; 90	2141.61	Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging Chemical Science, 2019
1550330	CIF	C50 H38 F6 Ir N2 O2 P3	P 1 21/c 1	17.4083; 13.0416; 20.5524 90; 108.427; 90	4426.8	Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging Chemical Science, 2019
1550331	CIF	C16 H18 N O2	P 21 21 21	5.478; 9.837; 25.781 90; 90; 90	1389.3	Yao, Kun; Yuan, Qianjia; Qu, Xingxin; Liu, Yangang; Liu, Delong; Zhang, Wanbin Pd-Catalyzed asymmetric allylic substitution cascade using α-(pyridin-1-yl)-acetamides formed in situ as nucleophiles Chemical Science, 2019
1550337	CIF	C31 H38 Cl2 O5 P S	P 65	22.6855; 22.6855; 10.7563 90; 90; 120	4793.9	Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers Polymer Chemistry, 2019, 10, 546
1550338	CIF	C34 H38 F2 N O3 P Pd S	P 21 21 21	9.1697; 9.5203; 36.333 90; 90; 90	3171.8	Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers Polymer Chemistry, 2019, 10, 546
1550339	CIF	C34 H28 F12 Fe N8 P2	P 41	12.3462; 12.3462; 48.9067 90; 90; 90	7454.8	Carey, Monica C.; Adelman, Sara L.; McCusker, James K. Insights into the excited state dynamics of Fe(ii) polypyridyl complexes from variable-temperature ultrafast spectroscopy Chemical Science, 2019
1550340	CIF	C40 H45 F12 Fe N6 O P2	P -1	8.6648; 14.3856; 17.4683 83.227; 85.655; 82.022	2137.36	Carey, Monica C.; Adelman, Sara L.; McCusker, James K. Insights into the excited state dynamics of Fe(ii) polypyridyl complexes from variable-temperature ultrafast spectroscopy Chemical Science, 2019
1550341	CIF	C23 H15 Br2 N O S	P -1	6.9784; 7.3112; 21.0187 81.743; 89.701; 71.272	1004.12	Shan, Yahan; Li, Shiwen; Wang, Rui; Zhu, Si Yi; Wu, Fei; Fu, Yang; Zhu, Linna Spontaneously hierarchical self-assembly of nanofibres into fluorescent spherical particles: a leap from organogels to macroscopic solid spheres. Soft matter, 2019, 15, 470-476
1550342	CIF Paper	C15.5 H17 Cu N3.5 O5.75	P 1 21/c 1	10.8431; 11.8835; 14.4823 90; 109.361; 90	1760.57	Wang, Sujuan; Wei, Zhang-Wen; Zhang, Jianyong; Jiang, Long; Liu, Dingxin; Jiang, Ji-Jun; Si, Rui; Su, Cheng-Yong Framework disorder and its effect on selective hysteretic sorption of a T-shaped azole-based metal‒organic framework IUCrJ, 2019, 6
1550343	CIF	C35 H47 I N2 O	P 1 21/c 1	6.9216; 59.8833; 7.8371 90; 94.192; 90	3239.7	Zhang, Ruoyao; Niu, Guangle; Li, Xuechen; Guo, Lifang; Zhang, Huamiao; Yang, Rui; Chen, Yuncong; Yu, Xiaoqiang; Tang, Ben Zhong Reaction-free and MMP-independent fluorescent probes for long-term mitochondria visualization and tracking Chemical Science, 2019
1550344	CIF	C27 H37 I N2	P 1 21/n 1	10.5322; 16.7869; 43.8778 90; 90.202; 90	7757.7	Zhang, Ruoyao; Niu, Guangle; Li, Xuechen; Guo, Lifang; Zhang, Huamiao; Yang, Rui; Chen, Yuncong; Yu, Xiaoqiang; Tang, Ben Zhong Reaction-free and MMP-independent fluorescent probes for long-term mitochondria visualization and tracking Chemical Science, 2019
1550345	CIF	C23 H23 B2 Cl9 N4 O2	P n a 21	15.8691; 12.5093; 15.8466 90; 90; 90	3145.73	Wang, Baolin; Kinjo, Rei Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine Chemical Science, 2019
1550346	CIF	C42 H44 B4 Cl2 N8 O2	P -1	11.1827; 13.5841; 13.7474 83.0226; 81.9334; 86.2235	2049.82	Wang, Baolin; Kinjo, Rei Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine Chemical Science, 2019
1550347	CIF	C16 H22 B2 N2 O3	P 1 21/n 1	7.0474; 10.652; 22.2574 90; 90.2535; 90	1670.82	Wang, Baolin; Kinjo, Rei Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine Chemical Science, 2019
1550348	CIF	C38 H56 B2 N6 O2	P 1 21/c 1	8.1816; 26.3954; 17.138 90; 99.443; 90	3650.9	Wang, Baolin; Kinjo, Rei Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine Chemical Science, 2019
1550349	CIF	C22 H16 N6 O2	P 1 21/c 1	5.0978; 9.7374; 17.7601 90; 92.193; 90	880.95	Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation. Soft matter, 2019, 15, 442-451
1550350	CIF	C13 H12 Ag N3 O3	P -1	7.3603; 8.618; 11.0702 102.912; 95.079; 108.486	639.4	Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation. Soft matter, 2019, 15, 442-451
1550351	CIF	C26 H28 N6 O4 S2	P -1	7.4404; 9.0236; 10.0764 89.276; 72.988; 79.287	635.02	Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation. Soft matter, 2019, 15, 442-451
1550352	CIF	C22 H18 Ag Cl N6 O6	P 1 21/n 1	11.3109; 14.7646; 13.9188 90; 105.464; 90	2240.3	Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation. Soft matter, 2019, 15, 442-451
1550353	CIF	C28 H30 N8 O4	C 1 2/c 1	19.2704; 4.05485; 33.1511 90; 92.289; 90	2588.31	Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation. Soft matter, 2019, 15, 442-451
1550354	CIF	C23 H18 Ag F3 N6 O5 S	P 1 21/n 1	11.84847; 11.65924; 18.1068 90; 101.316; 90	2452.72	Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation. Soft matter, 2019, 15, 442-451
1550355	CIF	C22 H18 Ag F6 N6 O2 P	P 1 21/n 1	11.5489; 11.6921; 18.1433 90; 101.463; 90	2401.04	Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation. Soft matter, 2019, 15, 442-451
1550357	CIF	C68 H66 Dy2 F42 N4 O12	P -1	11.7327; 13.5801; 14.5983 71.026; 88.785; 77.839	2147.4	Perfetti, Mauro; Gysler, Maren; Rechkemmer, Yvonne; Zhang, Peng; Tastan, Hatice; Fischer, Florian; Netz, Julia; Frey, Wolfgang; Zimmermann, Lucas; Schleid, Thomas; Hakl, Michael; Orlita, Milan; Ungur, Liviu; Chibotaru, Liviu; Brock-Nannestad, Theis; Piligkos, Stergios; van Slageren, Joris Determination of the electronic structure of a dinuclear dysprosium single molecule magnet without symmetry idealization Chemical Science, 2019
1550358	CIF	C56 H56 Cl6 N8 O3	P -1	11.0189; 13.6198; 19.9453 107.462; 94.429; 102.769	2751.4	Kołodziejski, Michał; Stefankiewicz, Artur R.; Lehn, Jean-Marie Dynamic polyimine macrobicyclic cryptands ‒ self-sorting with component selection Chemical Science, 2019
1550359	CIF	C56 H56 Cl6 N8	P -1	13.0425; 13.288; 19.2843 98.778; 100.254; 118.655	2774.2	Kołodziejski, Michał; Stefankiewicz, Artur R.; Lehn, Jean-Marie Dynamic polyimine macrobicyclic cryptands ‒ self-sorting with component selection Chemical Science, 2019
1550360	CIF	C77 H76 B Cl6 F4 O2 Os P3	P 1 21/n 1	12.1981; 26.7517; 21.8243 90; 98.026; 90	7051.95	Zhang, Huan; Zhao, Haibo; Zhuo, Kaiyue; Hua, Yuhui; Chen, Jiangxi; He, Xumin; Weng, Wengui; Xia, Haiping “Carbolong” polymers with near infrared triggered, spatially resolved and rapid self-healing properties Polymer Chemistry, 2019, 10, 386
1550361	CIF	C37 H81 Cl N8 S3	P -1	13.6678; 15.9682; 22.901 85.095; 74.096; 76.589	4674.5	Spooner, Michael J.; Li, Hongyu; Marques, Igor; Costa, Pedro M. R.; Wu, Xin; Howe, Ethan N. W.; Busschaert, Nathalie; Moore, Stephen J.; Light, Mark E.; Sheppard, David N.; Félix, Vítor; Gale, Philip A. Fluorinated synthetic anion carriers: experimental and computational insights into transmembrane chloride transport Chemical Science, 2019
1550366	CIF	C308 H156 Eu2 N12 Ni3	C 1 2/m 1	24.606; 18.08; 22.351 90; 101.478; 90	9745	Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes Chemical Science, 2019
1550367	CIF	C280 H132 Eu2 N12 Ni3	C 1 2/m 1	24.307; 18.191; 22.087 90; 100.995; 90	9587	Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes Chemical Science, 2019
1550368	CIF	C130.05 H53.66 Eu N4 Ni S0.78	C 1 2/m 1	25.3346; 15.1339; 19.9751 90; 95.659; 90	7621.4	Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes Chemical Science, 2019
1550369	CIF	C132 H56 Eu N4 Ni	C 1 2/m 1	25.386; 15.123; 19.953 90; 95.2; 90	7629	Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes Chemical Science, 2019
1550370	CIF Paper	C4 H9 Co N O6	P n m a	8.2674; 11.66; 8.1483 90; 90; 90	785.48	Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ, 2019, 6, 105-115
1550371	CIF Paper	C4 H9 Co N O6	P n m a	8.2556; 11.6519; 8.1508 90; 90; 90	784.05	Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ, 2019, 6, 105-115
1550372	CIF Paper	C4 H9 Co N O6	P n m a	8.2702; 11.6766; 8.1631 90; 90; 90	788.29	Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ, 2019, 6, 105-115
1550373	CIF Paper	C4 H9 Co N O6	P n m a	8.2548; 11.6547; 8.1521 90; 90; 90	784.29	Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ, 2019, 6, 105-115
1550375	CIF	C77 H51.5 Cl6 S5	C 1 2/c 1	21.7713; 21.459; 27.4874 90; 92.893; 90	12825.5	Lin, Hsing-An; Kato, Kenta; Segawa, Yasutomo; Scott, Lawrence T.; Itami, Kenichiro Synthesis and Structural Features of Thiophene-fused Analogues of Warped Nanographene and Quintuple Helicene Chemical Science, 2019
1550376	CIF	C24 H22 O	P -1	8.4646; 10.2366; 11.8274 77.022; 69.293; 74.924	915.6	Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes Chemical Science, 2019
1550377	CIF	C24 H22 O2	P 1 21/n 1	6.8864; 33.272; 8.5011 90; 104.932; 90	1882	Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes Chemical Science, 2019
1550378	CIF	C27 H23 N O2	P b c a	37.682; 6.9971; 15.2009 90; 90; 90	4007.9	Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes Chemical Science, 2019
1550379	CIF	C21 H24 O4	P 21 21 21	6.2996; 14.6723; 19.1704 90; 90; 90	1771.9	Gupta, Saswata; Lin, Yongjia; Xia, Yuanzhi; Wink, Donald; Lee, Daesung Alder-Ene Reactions Driven by High Steric Strain and Bond Angle Distortion to Form Benzocyclobutenes Chemical Science, 2019
1550380	CIF	C42 H30 O14 Ti3	R -3 m	25.8366; 25.8366; 13.6675 90; 90; 120	7901.2	Feng, Xuanyu; Song, Yang; Chen, Justin S.; Li, Zhe; Chen, Emily Y.; Kaufmann, Michael; Wang, Cheng; Lin, Wenbin Cobalt-Bridged Secondary Building Units in a Titanium Metal-Organic Framework Catalyze Cascade Reduction of N-Heteroarenes Chemical Science, 2019
1550381	CIF	C78.74 H94.11 Cl4 N9.37 O6 P2	P 1 21/n 1	13.8833; 29.9782; 18.874 90; 93.677; 90	7839.1	Peñuelas-Haro, Guillem; Ballester, Pablo Efficient Hydrogen Bonding Recognition in Water using Aryl-extended Calix[4]pyrrole Receptors Chemical Science, 2019
1550382	CIF	C74 H87 Cl4 N7 O6 P2	I 41 m d	19.6411; 19.6411; 18.4185 90; 90; 90	7105.4	Peñuelas-Haro, Guillem; Ballester, Pablo Efficient Hydrogen Bonding Recognition in Water using Aryl-extended Calix[4]pyrrole Receptors Chemical Science, 2019
1550383	CIF	Al2 Eu4 F2 O8	P 1 21/c 1	7.5885; 10.8399; 11.0776 90; 108.788; 90	862.67	Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure IUCrJ, 2019, 6, 128-135
1550384	CIF	Al2 F2 O8 Sm4	P 1 21/c 1	7.6188; 10.8705; 11.1077 90; 108.805; 90	870.84	Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure IUCrJ, 2019, 6, 128-135
1550400	CIF	C55 H66 Cl2 N4 Ru	P -1	10.9047; 11.6314; 19.7689 95.343; 101.998; 100.664	2387.6	Dumas, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénael; Tripoteau, Fabien; Caijo, Frédéric; Queval, Pierre; Rouen, Mathieu; Baslé, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology, 2019
1550401	CIF	C77 H66 Cl2 N10 O12	P -1	13.861; 15.962; 17.258 69.871; 75.157; 81.221	3457	Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction Chemical Science, 2019, 10, 490
1550402	CIF	C15 H12 O4	P 1 21/n 1	7.804; 11.72; 13.252 90; 94.565; 90	1208.2	Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction Chemical Science, 2019, 10, 490
1550403	CIF	C32 H47 Al N2	P 1 21/c 1	10.5476; 13.0639; 22.5422 90; 99.217; 90	3066	Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex Chemical Science, 2019
1550404	CIF	C38.5 H57 Al N2	C 1 2/c 1	19.4468; 18.4781; 20.5105 90; 102.346; 90	7199.8	Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex Chemical Science, 2019
1550405	CIF	C39 H53 Al N2 O	P 1 21/n 1	12.3296; 16.8397; 17.7035 90; 106.384; 90	3526.5	Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex Chemical Science, 2019
1550406	CIF	C31 H45 Al N2	P 1 21/n 1	12.3658; 17.1209; 14.023 90; 104.507; 90	2874.2	Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex Chemical Science, 2019
1550407	CIF	C38 H50 Al N2	P 21 21 21	11.227; 14.6841; 21.0838 90; 90; 90	3475.8	Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex Chemical Science, 2019
1550408	CIF	C62 H90 Al2 N4	C 1 2/c 1	24.6053; 15.38681; 14.82658 90; 96.6729; 90	5575.27	Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex Chemical Science, 2019
1550409	CIF	C48 H36 Cu F12 N8 O14.13 S4	P -1	16.1504; 16.2726; 17.8745 99.297; 112.765; 102.854	4059.7	Liu, Yanju; Han, Yongzhen; Zhang, Zongyao; Zhang, Wei; Lai, Wenzhen; Wang, Yong; Cao, Rui Low overpotential water oxidation at neutral pH catalyzed by a copper(II) porphyrin Chemical Science, 2019
1550410	CIF	C35 H21 Al2 F55 O6 Si	P -1	10.4039; 12.682; 21.4037 88.235; 80.175; 82.373	2757.92	Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation Chemical Science, 2019
1550411	CIF	C30 H31 Al F28 N2 O3 Si	P -1	9.4236; 10.9684; 20.6676 78.207; 88.952; 83.352	2077.06	Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation Chemical Science, 2019
1550412	CIF	C19 H10 Al F27 N2 O3	P 1 21/c 1	12.2182; 11.395; 21.1752 90; 105.383; 90	2842.5	Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation Chemical Science, 2019
1550413	CIF	C24 H22 F N O4	P 1 21 1	15.3747; 7.2401; 18.684 90; 102.066; 90	2033.85	Royal, Titouan; Baudoin, Olivier Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement Chemical Science, 2019
1550414	CIF	C24 H22 F N O4	P 1 21 1	15.3844; 7.2248; 18.6689 90; 102.133; 90	2028.68	Royal, Titouan; Baudoin, Olivier Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement Chemical Science, 2019
1550415	CIF	C39 H32 Br2 N4 O	P c c n	18.5184; 19.9443; 9.0043 90; 90; 90	3325.6	Sindt, Ammon J.; DeHaven, Baillie A.; McEachern, David F.; Dissanayake, Madushanka M.; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S. UV-irradiation of self-assembled triphenylamines affords persistent and regenerable radicals Chemical Science, 2019
1550416	CIF	C79 H106 N18 O14 P	P n a 21	20.4627; 15.7895; 25.0638 90; 90; 90	8098	Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence Chemical Science, 2019
1550417	CIF	C142 H157 N32 O20 P2	P -1	15.948; 16.487; 16.568 98.9391; 95.3315; 117.154	3762	Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence Chemical Science, 2019
1550418	CIF	C142 H201 N36 O33 P2	P 1 21/n 1	22.7938; 18.9289; 23.1163 90; 119.257; 90	8701.5	Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence Chemical Science, 2019
1550419	CIF	C27 H20 Cl2 O3	P 21 21 21	7.6102; 10.7051; 27.326 90; 90; 90	2226.2	Yao, Lu; Ishihara, Kazuaki Enantioselecive [1,3] O-to-C rearrangement: Dearomatization of alkyl 2-allyloxy/benzyloxy-1/3-naphthoates catalyzed by a chiral π‒Cu(II) complex Chemical Science, 2019
1550420	CIF	C50 H64 Cu F6 N4 O8 S2	P 21 21 21	14.293; 16.823; 21.7 90; 90; 90	5217.8	Yao, Lu; Ishihara, Kazuaki Enantioselecive [1,3] O-to-C rearrangement: Dearomatization of alkyl 2-allyloxy/benzyloxy-1/3-naphthoates catalyzed by a chiral π‒Cu(II) complex Chemical Science, 2019
1550421	CIF	C50 H46 N6 O6	P 1 21/c 1	16.393; 12.1248; 20.3969 90; 96.964; 90	4024.22	Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives Chemical Science, 2019
1550422	CIF	C66 H52 Cl12 N8 O6	P -1	10.6274; 12.6722; 13.0666 76.113; 81.646; 68.89	1590.27	Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives Chemical Science, 2019
1550423	CIF	C60 H46 N8 O7	P 1	9.1177; 10.6349; 13.6347 84.797; 86.884; 73.337	1260.8	Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives Chemical Science, 2019
1550424	CIF	C62 H50 Cl8 N8 O6	P -1	9.5459; 10.8943; 14.704 77.534; 84.269; 68.203	1386.03	Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives Chemical Science, 2019
1550425	CIF	C62 H46 Cl8 N8 O5	P n a 21	34.5017; 10.56728; 14.7887 90; 90; 90	5391.8	Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives Chemical Science, 2019
1550426	CIF	C66 H50 Cl16 N8 O6	P -1	10.5616; 23.6815; 27.6022 94.092; 92.874; 92.603	6869.1	Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives Chemical Science, 2019
1550427	CIF	C134 H110 Cl24 N16 O17	P -1	10.653; 12.928; 51.06 92.18; 90.93; 111.37	6540	Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives Chemical Science, 2019
1550428	CIF	C29 H21 B Cl F10 N	P -1	10.2284; 11.0264; 12.5397 88.589; 80.364; 79.511	1371	Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald Halogenoborane mediated allene cyclooligomerization Chemical Science, 2019
1550429	CIF	C29 H21 B Br F10 N	P -1	10.2011; 11.0143; 12.5252 88.743; 80.865; 79.649	1366.81	Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald Halogenoborane mediated allene cyclooligomerization Chemical Science, 2019
1550430	CIF	C36 H42 B F10 P	P -1	9.9507; 11.7835; 16.007 71.517; 86.117; 70.299	1674.26	Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald Halogenoborane mediated allene cyclooligomerization Chemical Science, 2019
1550431	CIF	C27.5 H43 Cl	P -1	10.8108; 12.1099; 19.1989 76.703; 75.176; 87.966	2363.95	Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald Halogenoborane mediated allene cyclooligomerization Chemical Science, 2019
1550432	CIF	C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.98	C 1 2/c 1	24.9341; 15.1575; 22.1525 90; 114.583; 90	7613.4	Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161
1550433	CIF	C35 H30 Cl3 F6 N O4.4 P3 Pd	P 1 21/n 1	12.3522; 26.1118; 13.6448 90; 113.138; 90	4046.96	Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161
1550434	CIF	C33 H38 Cl2 N2 O4 P2 Pd	P 1 21/n 1	12.9976; 18.6574; 14.6755 90; 105.169; 90	3434.83	Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161
1550435	CIF	C35 H41 Cl8 N Ni O4 P2	P 1 21/c 1	11.7989; 15.5485; 23.5593 90; 101.232; 90	4239.29	Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161
1550436	CIF	C33 H38 Cl2 N2 Ni O4 P2	P 1 21/n 1	12.8814; 18.6698; 14.5746 90; 105.006; 90	3385.56	Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161
1550437	CIF	C26 H18 La N9 O9	P 1 21/n 1	9.1366; 14.1095; 20.9641 90; 90.052; 90	2702.54	Gajarushi, Ashwini S.; Wasim, Mohd; Nabi, Rizwan; Kancharlapalli, Srinivasu; Rao, V. Ramgopal; Rajaraman, Gopalan; Subramaniam, Chandramouli; Shanmugam, Maheswaran Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance Materials Horizons, 2019, 6, 743
1550438	CIF	C26 H18 Ce N9 O9	C 1 2/c 1	15.0921; 10.8118; 19.5232 90; 118.32; 90	2804.4	Gajarushi, Ashwini S.; Wasim, Mohd; Nabi, Rizwan; Kancharlapalli, Srinivasu; Rao, V. Ramgopal; Rajaraman, Gopalan; Subramaniam, Chandramouli; Shanmugam, Maheswaran Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance Materials Horizons, 2019, 6, 743
1550439	CIF	C16 H26	P 1 21/n 1	14.3334; 5.56223; 8.53021 90; 92.0219; 90	679.65	van de Streek, Jacco; Alig, Edith; Parsons, Simon; Vella-Zarb, Liana A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data IUCrJ, 2019, 6, 136-144
1550440	CIF	C7 H15 Cl N2 O	P 1 21 1	7.2588; 8.9399; 22.7927 90; 95.818; 90	1471.47	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550441	CIF	C7 H15 I N2 O	P b c a	13.4725; 9.8551; 32.7259 90; 90; 90	4345.11	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550442	CIF	C7 H15 Cl N2 O	P 1 21 1	7.2902; 8.9099; 7.8789 90; 107.024; 90	489.35	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550443	CIF	C7 H15 Br N2 O	P 1 21 1	7.5269; 9.1017; 7.93 90; 107.161; 90	519.08	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550444	CIF	C7 H15 I N2 O	P 21 21 21	7.585; 10.8242; 13.0468 90; 90; 90	1071.16	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550445	CIF	C14 H30 B Cl F4 N4 O2	P 21 21 21	9.4006; 13.2619; 16.6581 90; 90; 90	2076.76	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550446	CIF	C22 H27 Br N2 O4 S	P 21 21 21	6.106; 9.0317; 42.33 90; 90; 90	2334.4	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550447	CIF	C22 H27 I N2 O4 S	P 21 21 21	6.2219; 9.0228; 43.0569 90; 90; 90	2417.17	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550448	CIF	C22 H27 N3 O7 S	P 21 21 21	6.3765; 8.8174; 42.942 90; 90; 90	2414.38	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550449	CIF	C22 H32 N2 O9.5 P S	P 1	8.7929; 12.6645; 23.7867 82.3345; 81.4117; 89.9824	2595.2	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550450	CIF	C15 H24 N2 O5	P 1 21 1	11.47377; 6.14747; 11.71348 90; 111.978; 90	766.164	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550451	CIF	C19 H23 Cl N6 O4	P 1 21/c 1	12.6065; 13.0726; 12.6694 90; 106.397; 90	2003	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550452	CIF	C20 H23 Cl N6 O S	P -1	12.1482; 13.1848; 13.8251 90.263; 90.218; 108.005	2105.9	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550453	CIF	C19 H23 B Cl F4 N5 O	P 1 21/c 1	12.46473; 12.98315; 13.42014 90; 106.765; 90	2079.49	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550454	CIF	C16 H21 N O4 S	P 1 21 1	5.72587; 20.83882; 6.92054 90; 98.3547; 90	816.998	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550455	CIF	C24 H38 N2 O8	P 1	5.8213; 7.27088; 15.90214 94.7215; 96.6693; 109.525	624.781	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550456	CIF	C24 H38 N2 O9	P 1 21 1	6.07189; 32.9414; 7.1383 90; 114.168; 90	1302.63	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550457	CIF	C10 H16 N2 O4	P 1 21 1	6.0401; 29.3553; 7.3828 90; 112.806; 90	1206.7	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550458	CIF HKL Paper	C25 H24 Cl4 N2 P2 Pd	P 1 21/n 1	11.7085; 16.9319; 15.2399 90; 105.324; 90	2913.85	Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate IUCrData, 2019, 4, x181803
1550459	CIF HKL Paper	C12 H14 Cl N O3	P 1 21/c 1	5.7323; 9.2537; 21.6899 90; 91.168; 90	1150.3	Rodriguez-Vega, Gibran; Aguirre, Gerardo; Chávez, Daniel Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate IUCrData, 2019, 4, x190016
1550460	CIF HKL Paper	C20 H21 N5 O	P 1 2/n 1	12.241; 5.9386; 25.2112 90; 90.317; 90	1832.69	Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid 2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol IUCrData, 2019, 4, x190036
1550461	CIF HKL Paper	C17 H14 O2	P 1 21/n 1	9.0801; 15.4598; 10.092 90; 109.453; 90	1335.81	Pineda, Leslie W.; Amey, Adam; Cabezas, Jorge A. 5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid IUCrData, 2019, 4, x181799
1550462	CIF HKL	C52 H50 Cl2 N4 O7	P 1 21/n 1	13.702; 11.349; 28.538 90; 92.999; 90	4431.7	Lee, Jae Myoung; Kim, Sung Baek; Sim, Wonbo; Lee, Jai Young 25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-[3-(4-tricyanoethylene)phenyl]-3-aza-pentane-1,5-dioxy)calix[4]arene dichloromethane monosolvate IUCrData, 2019, 4, x190026
1550463	CIF	Cu Mg O5 V	C m c m	5.7716; 8.7145; 6.3052 90; 90; 90	317.13	Gake, T.; Matsushita, S.; Arai, M.; Obata, K. Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a first-principles study Journal of the Ceramic Society of Japan, 2019, 127, 50-55
1550464	CIF	Ag Mg O5 V	P n m a	9.5314; 6.7696; 5.3618 90; 90; 90	345.964	Gake, T.; Matsushita, S.; Arai, M.; Obata, K. Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a first-principles study Journal of the Ceramic Society of Japan, 2019, 127, 50-55
1550465	CIF	C52 H15 Cl2 F20 Ga N4 O2	P 1 21/c 1	13.125; 17.799; 21.46 90; 106.821; 90	4798.8	Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction Chemical Science, 2019
1550466	CIF	C52 H32 Cl0 F20 Ga N4 O5	P 1 21/c 1	14.3965; 25.5948; 13.8025 90; 93.422; 90	5076.8	Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction Chemical Science, 2019
1550467	CIF	C8 H20 Cl3 Ga N4	P n a 21	14.5269; 7.3499; 12.7491 90; 90; 90	1361.2	Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction Chemical Science, 2019
1550468	CIF	C44 H8 F20 Ga N4 O2	P 1 21/n 1	14.0662; 5.607; 26.055 90; 95.056; 90	2046.9	Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction Chemical Science, 2019
1550469	CIF	C2 H6 F3 N O6 S2	P n a 21	8.9227; 18.531; 5.5268 90; 90; 90	913.8	D'Amato, Erica M.; Börgel, Jonas; Ritter, Tobias Aromatic C‒H amination in hexafluoroisopropanol Chemical Science, 2019
1550470	CIF	C34 H58 Al2 Br2	P -1	10.367; 12.452; 15.704 69.094; 88.918; 67.783	1737.3	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550471	CIF	C34 H58 Al2 Br2	C 1 c 1	19.582; 8.479; 21.301 90; 93.33; 90	3530.8	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550472	CIF	C27 H44 Al2 Br2	P 1 21/c 1	8.824; 29.234; 12.125 90; 108.8; 90	2960.9	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550473	CIF	C46 H68 Al2 N2	P b c a	17.2467; 13.0572; 18.6141 90; 90; 90	4191.8	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550474	CIF	C17 H29 Al Br2	P 1 21/c 1	9.4; 14.876; 13.886 90; 105.24; 90	1873	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550475	CIF	C17 H29 Al2 Br3	P -1	10.6448; 10.6844; 11.1041 63.541; 81.455; 73.465	1083.5	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550476	CIF	C51 H87 Al3 O3	P 1 21/c 1	14.173; 19.091; 19.858 90; 109.37; 90	5069	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550477	CIF	C21 H38 Al2 Cl2	P 1 21 1	9.8915; 21.5331; 11.5146 90; 90.457; 90	2452.47	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550478	CIF	C34 H58 Al3 Br3	P 1 21/c 1	10.1424; 38.371; 10.1825 90; 105.719; 90	3814.6	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550479	CIF	C19 H22 O5	C 1 2 1	22.5468; 10.4722; 7.3277 90; 107.751; 90	1647.8	Craig, Robert A.; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Correction: Enantioselective, convergent synthesis of the ineleganolide core by a tandem annulation cascade Chemical Science, 2019
1550480	CIF	C17 H17 Cl N2 O3	P 1 21 1	7.599; 10.249; 10.488 90; 109.1; 90	771.861	Wu, Zijun; Wang, Jian A tandem dearomatization/rearomatization strategy: enantioselective N-heterocyclic carbene-catalyzed α-arylation Chemical Science, 2019
1550481	CIF HKL Paper	C23 H26 Br Cl N6	P 1 21/n 1	16.252; 5.3787; 27.109 90; 90.551; 90	2369.6	Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Chakroune, Said; Ouzidan, Younes; Capet, Frédéric 6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine IUCrData, 2019, 4, x190053
1550482	CIF HKL Paper	C95 H90 Cl2 F3 Fe N12 O7 S	P -1	12.2257; 19.3422; 19.5199 88.061; 72.058; 77.104	4277.6	Li, Jianfeng; Oliver, Allen G.; Scheidt, W. Robert Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate IUCrData, 2019, 4, x190015
1550483	CIF HKL Paper	C8 H14 B O7 Rb	P 1 21/n 1	8.3075; 10.4488; 15.563 90; 92.202; 90	1349.92	Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Rubidium bis(2-methyllactato)borate monohydrate IUCrData, 2019, 4, x190039
1550484	CIF HKL Paper	C31 H26 N4 O2 S	P -1	10.5467; 11.6469; 12.942 108.321; 102.108; 110.887	1313.9	Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Srinivasan, N.; Krishnakumar, R. V. Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate IUCrData, 2019, 4, x190010
1550485	CIF	C67 H3 Cl O	P 1 21 1	10.1607; 9.8856; 16.4378 90; 102.188; 90	1613.9	Niu, Chuang; Zhou, Dian-Bing; Yang, Yong; Yin, Zheng-Chun; Wang, Guan-Wu Retro Baeyer‒Villiger Reaction: Electrochemical Reduction of [60]Fullerene-Fused Lactones to [60]Fullerene-Fused Ketones Chemical Science, 2019
1550486	CIF	C53 H37 Cl4 Ir N4 O6	P -1	9.758; 13.838; 18.798 103.599; 104.123; 101.639	2300.4	li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes Chemical Science, 2019
1550487	CIF	C52 H37 B Cl3 Ir N2 O6	P 1 21/c 1	14.7106; 23.3274; 12.5713 90; 90.352; 90	4313.9	li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes Chemical Science, 2019
1550488	CIF	C52 H35 B2 Cl2 Ir N2 O6	P -1	12.9285; 13.0934; 15.0271 107.392; 96.416; 111.677	2183.9	li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes Chemical Science, 2019
1550489	CIF	C61 H43 B2 Ir N4 O6	C 1 2/c 1	34.306; 16.952; 28.45 90; 126.132; 90	13363	li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes Chemical Science, 2019
1550490	CIF	C52 H40 Cl3 Ir N2 O6	P 1 21/n 1	10.3303; 31.873; 13.6751 90; 95.52; 90	4481.8	li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes Chemical Science, 2019
1550491	CIF	C51 H36 Ir N3 O6	P -1	12.8021; 13.4779; 13.5356 71.759; 73.179; 63.251	1950.2	li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes Chemical Science, 2019
1550492	CIF	C65 H55 B2 Ir N6 O6	P 1 21/n 1	16.7138; 25.8579; 16.5041 90; 103.462; 90	6936.8	li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes Chemical Science, 2019
1550493	CIF	C20 H20 Cl N O2 S	P 1 21/c 1	11.5425; 20.2515; 8.2218 90; 92.176; 90	1920.48	Lei, Aiwen; Li, Dan-Dan; Li, Shuaibing; Peng, Chong; Lu, Lijun; Wang , Shengchun; Wang, Pan; Chen, Yi-Hung; Cong, Hengjiang Electrochemical Oxidative C-H/S-H Cross-Coupling between Enamines and Thiophenols with H2 Evolution Chemical Science, 2019
1550494	CIF HKL Paper	As4 Ba H6 O14	P m a n	8.4638; 11.1799; 5.8353 90; 90; 90	552.16	Weil, Matthias The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms IUCrData, 2019, 4
1550495	CIF	C35 H27 O P Sn	P 1 21/c 1	9.9327; 18.4467; 15.8535 90; 104.801; 90	2808.38	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550496	CIF	C19 H16 Au Cl N O P	P b c a	12.7694; 7.3282; 38.4557 90; 90; 90	3598.56	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550497	CIF	C92 H77 Au6 Cl5 O5 P5 S	P 1 21/n 1	15.3119; 21.8107; 28.8693 90; 99.077; 90	9520.55	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550498	CIF	C18 H20 Cl2 Cu2 N2 O6 P2	P -1	7.3741; 7.5275; 11.8201 78.77; 87.887; 67.556	594.3	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550499	CIF	C187 H158 Cl6 Cu8 O8 P16	P -1	14.7461; 15.0636; 22.964 87.081; 75.816; 63.403	4412	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550500	CIF	C40 H60 Cl2 Cu2 O4 P4	P -1	9.1382; 11.4943; 12.1632 79.859; 71.565; 66.823	1112.26	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550501	CIF	C28 H36 Cl2 Cu2 O4 P4	P -1	8.0889; 9.7187; 10.6284 78.259; 87.754; 80.431	806.66	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550502	CIF	C62 H80 Na2 O15 P2	C 1 2/c 1	27.5839; 9.1559; 28.119 90; 121.726; 90	6040.4	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550503	CIF	C17 H13 Cl Cu O P	P 1 21/c 1	17.1019; 3.8793; 21.547 90; 97.229; 90	1418.1	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550504	CIF	C35 H27 Au O P2	P -1	10.7949; 11.5285; 11.9802 87.576; 84.28; 71.512	1406.85	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550505	CIF	C19 H24 N4 O12	P 21 21 21	6.9557; 7.4897; 41.571 90; 90; 90	2165.7	Shi, Jing; Zeng, Ying Jie; Zhang, Bo; Shao, Fen Li; Chen, Yan-Chi; Xu, Xiang; Sun, Yang; Xu, Qiang; Tan, Ren Xiang; Ge, Hui Ming Comparative Genome Mining and Heterologous Expression of an Orphan NRPS Gene Cluster Directs the Production of Ashimides Chemical Science, 2019
1550506	CIF	C26 H36 Cl2 Si Zr	P 1 21/n 1	11.6286; 14.8501; 14.9589 90; 99.332; 90	2549	Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene Polymer Chemistry, 2019, 10, 1386
1550507	CIF	C22 H28 Br2 Si Zr	F d d 2	52.0095; 19.2685; 8.6866 90; 90; 90	8705.2	Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene Polymer Chemistry, 2019, 10, 1386
1550508	CIF	C26 H36 Cl2 Si Zr	P -1	8.7586; 11.3702; 14.6917 104.583; 94.052; 103.622	1362.94	Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene Polymer Chemistry, 2019, 10, 1386
1550509	CIF	C24 H34 Si Zr	F d d 2	52.131; 19.346; 8.7251 90; 90; 90	8799.5	Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene Polymer Chemistry, 2019, 10, 1386
1550510	CIF	C36 H42 Si Zr	P -1	12.4776; 14.8663; 17.9117 100.463; 101.218; 105.208	3048.5	Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene Polymer Chemistry, 2019, 10, 1386
1550512	CIF	C41 H28 O2	P n a 21	9.7427; 13.5639; 21.658 90; 90; 90	2862.1	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiao-Chun; Jiang, Gaoxi Brønsted acid-catalyzed aromatic annulation of alkoxyallenes with naphthols: a reaction sequence to larger π-conjugated naphthopyrans with aggregation-induced emission characters Chemical Science, 2019
1550513	CIF	C26 H17 Br O	P 1 21/c 1	12.8537; 13.3132; 11.8696 90; 114.474; 90	1848.7	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiao-Chun; Jiang, Gaoxi Brønsted acid-catalyzed aromatic annulation of alkoxyallenes with naphthols: a reaction sequence to larger π-conjugated naphthopyrans with aggregation-induced emission characters Chemical Science, 2019
1550514	CIF	C10 H10 As5 Cr2	P 1 21/n 1	8.1149; 14.8158; 12.0097 90; 104.644; 90	1397.01	Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred From Nano-Balls to Nano-Bowls Chemical Science, 2019
1550515	CIF	C130.61 H192.4 As5 Cl19.27 Cr2 Cu13.35 Fe11 N3.83 P55	C 1 c 1	30.4118; 29.4289; 28.8188 90; 112.875; 90	23764	Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred From Nano-Balls to Nano-Bowls Chemical Science, 2019
1550516	CIF	C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55	C 1 c 1	27.08802; 33.62013; 25.36593 90; 103.351; 90	22476.5	Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred From Nano-Balls to Nano-Bowls Chemical Science, 2019
1550518	CIF HKL	C27 H17 Cl O	P n a 21	14.0201; 17.4488; 7.8775 90; 90; 90	1927.1	Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip 14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene IUCrData, 2019, 4, x181846
1550519	CIF	C26 H34 B N O4 S	P 1 21/c 1	6.4192; 32.5924; 11.989 90; 99.366; 90	2474.9	Cabrera-Lobera, Natalia; Quirós, M. Teresa; Buñuel, Elena; Cardenas, Diego J. Atom-Economical Regioselective Ni-Catalyzed Hydroborylative Cyclization of Enynes: Development and Mechanism Catalysis Science & Technology, 2019
1550520	CIF Paper	C12 H16 N4 O6	P 1 21/c 1	14.0525; 7.8134; 12.8242 90; 91.848; 90	1407.34	Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6
1550521	CIF Paper	C12 H14 N4 O5	P 1 21/c 1	6.8711; 15.119; 11.884 90; 91.858; 90	1233.9	Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6
1550522	CIF Paper	C12 H14 N4 O5	P 1 21/c 1	13.2706; 7.651; 13.1269 90; 102.097; 90	1303.22	Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6
1550523	CIF	C78 H102 Cl Mn9 N6 O28 S6	P 21 21 21	13.3925; 25.1226; 27.0041 90; 90; 90	9085.6	Mitcov, Dmitri; Pedersen, Anders Hjordt; Ceccato, Marcel; Gelardi, Rikke Munch; Hassenkam, Tue; Konstantatos, Andreas; Reinholdt, Anders; Sørensen, Mikkel A.; Thulstrup, Peter Waaben Waaben; Vinum, Morten Gotthold; Wilhelm, Fabrice; Rogalev, Andrei; Wernsdorfer, Wolfgang; Brechin, Euan K.; Piligkos, Stergios Molecular multifunctionality preservation upon surface deposition for a chiral Single-Molecule Magnet Chemical Science, 2019
1550524	CIF	C78 H102 Cl Mn9 N6 O28 S6	P 21 21 21	13.4007; 25.1409; 26.8999 90; 90; 90	9062.7	Mitcov, Dmitri; Pedersen, Anders Hjordt; Ceccato, Marcel; Gelardi, Rikke Munch; Hassenkam, Tue; Konstantatos, Andreas; Reinholdt, Anders; Sørensen, Mikkel A.; Thulstrup, Peter Waaben Waaben; Vinum, Morten Gotthold; Wilhelm, Fabrice; Rogalev, Andrei; Wernsdorfer, Wolfgang; Brechin, Euan K.; Piligkos, Stergios Molecular multifunctionality preservation upon surface deposition for a chiral Single-Molecule Magnet Chemical Science, 2019
1550525	CIF	C17 H21 N O3 S	P 21 21 21	5.8911; 12.299; 22.4992 90; 90; 90	1630.17	Breit, Bernhard; Schmidt, Johannes Transition Metal Catalyzed Stereodivergent Synthesis of syn- and anti-δ-Vinyl-Lactams: Formal Total Synthesis of (−)-Cermizine C and (−)-Senepodine G Chemical Science, 2019
1550526	CIF	C20 H21 N O3 S	P 1 21/n 1	8.136; 17.429; 13.045 90; 105.2; 90	1785	Breit, Bernhard; Schmidt, Johannes Transition Metal Catalyzed Stereodivergent Synthesis of syn- and anti-δ-Vinyl-Lactams: Formal Total Synthesis of (−)-Cermizine C and (−)-Senepodine G Chemical Science, 2019
1550527	CIF	C21 H19 N O4 S	P 1 21/n 1	9.07481; 15.022; 12.762 90; 99.1959; 90	1717.38	Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones Chemical Science, 2019
1550528	CIF	C28 H25 N O4 S	P 1 21/c 1	12.3488; 9.82302; 19.2566 90; 108.549; 90	2214.53	Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones Chemical Science, 2019
1550529	CIF	C28 H24 N2 O7 S	P 1 21 1	9.68936; 16.6569; 15.2343 90; 94.933; 90	2449.63	Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones Chemical Science, 2019
1550530	CIF	C22 H21 N O4 S	P 1 21/n 1	13.78; 9.3801; 14.41 90; 92.893; 90	1860.2	Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones Chemical Science, 2019
1550531	CIF	C14 H12 F N O2	P 1 21/c 1	5.45155; 18.5193; 11.2116 90; 102.137; 90	1106.61	Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones Chemical Science, 2019
1550532	CIF	C22 H24 B N O3	P 1 21 1	9.9629; 10.4616; 18.5419 90; 90.923; 90	1932.33	Shen, Chong; Zeidan, Nicolas; Wu, Quan; Breuers, Christian; Liu, Ren-Rong; Jia, Yi-Xia; Lautens, Mark Pd-Catalyzed Dearomative Arylborylation of Indoles Chemical Science, 2019
1550533	CIF	C36 H72 Mn4 O16	I 2 2 2	12.1248; 14.1447; 14.1468 90; 90; 90	2426.2	Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters Chemical Science, 2019
1550534	CIF	C52 H54 Mn2 N4 O6	P 1 21/c 1	10.4733; 20.948; 10.6581 90; 94.542; 90	2331	Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters Chemical Science, 2019
1550535	CIF HKL	C14 H14 N2 O4 S	P 1 21/c 1	7.2595; 27.492; 7.963 90; 113.072; 90	1462.1	Faizi, Md. Serajul Haque; Lone, Mohammad Nadeem; Dege, Necmi; Iskenderov, Turganbay; Malinkin, Sergey (<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione IUCrData, 2019, 4, x190094
1550536	CIF HKL Paper	C11 H10 Cl2 N2 Zn	P 1 21/c 1	12.1865; 7.6666; 14.1087 90; 111.467; 90	1226.72	Siegfried, Adam; McAbee, Brett; Zotov, Vladimir; McMillen, Colin; Hanks, Timothy Dichlorido(2,2'-methylenedipyridine)zinc(II) IUCrData, 2019, 4, x190131
1550537	CIF	C56 H43 F6 Ir2 N12 P	C 1 2/c 1	39.183; 9.5561; 17.8539 90; 102.731; 90	6520.8	Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation Chemical Science, 2019
1550538	CIF	C30 H23 F6 Ir N5 P	P b c a	10.9356; 15.8786; 33.0214 90; 90; 90	5733.9	Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation Chemical Science, 2019
1550539	CIF	C72 H6 Cl6	P -1	9.8783; 9.9409; 12.3344 70.99; 75.17; 63.05	1012.3	Lei, Yilong; Wang, Shaoyan; Lai, Zhuangchai; Yao, Xin; Zhao, Yanli; Zhang, Hua; Chen, Hongyu Two-dimensional C<sub>60</sub> nano-meshes via crystal transformation. Nanoscale, 2019, 11, 8692-8698
1550540	CIF HKL	C14 H8 N4 Pt S2	P 1 21/n 1	10.087; 7.349; 19.442 90; 101.276; 90	1413.4	Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W. (2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II) IUCrData, 2019, 4, x190158
1550541	CIF HKL Paper	C17 H11 Cl N4 O2	P 1 21/c 1	17.8925; 7.4168; 11.5006 90; 102.061; 90	1492.5	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hayal Alotaibi, Mohammad; Hegazy, Amany S.; Kariuki, Benson M. 5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine IUCrData, 2019, 4, x190136
1550542	CIF HKL Paper	C10 H12 N2 Pt S2	P n m a	16.8696; 7.5226; 9.054 90; 90; 90	1148.98	Ha, Kwang [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II) IUCrData, 2019, 4, x190162
1550543	CIF HKL Paper	B4 H6 K2 O10	P -1	7.185; 7.8479; 8.9932 68.572; 88.393; 74.975	454.66	Dhatchaiyini, M. K.; NizamMohideen, M.; Rajasekar, G.; Bhaskaran, A. Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate IUCrData, 2019, 4, x190128
1550544	CIF	C64 H78 Mg2 N4	P -1	8.65; 12.2882; 13.5191 108.311; 90.582; 100.254	1339.07	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550545	CIF	C60 H70 Mg2 N4	P b c a	15.3389; 14.0741; 23.7894 90; 90; 90	5135.7	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550546	CIF	C93 H114 B2 Cd2 N6 Si2	P 21 21 2	14.733; 27.815; 11.021 90; 90; 90	4516.4	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550547	CIF	C60 H68 Mg2 N4	P -1	13.659; 14.429; 15.718 67.851; 79.39; 66.344	2626.1	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550548	CIF	C59 H76 Mg2 N4	C 1 c 1	19.9645; 11.2773; 22.9784 90; 93.089; 90	5166	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550549	CIF	C72 H100 B2 N6 Si2 Zn2	P -1	10.9999; 12.4537; 13.2073 92.95; 90.257; 108.041	1717.63	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550550	CIF	C94 H116 B2 Cd2 I2 N6 Si2	C 1 2/c 1	23.4536; 11.0309; 33.833 90; 92.003; 90	8747.7	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550551	CIF	C76 H80 Mg2 N2 Si2	P 1 21/c 1	11.1004; 16.2687; 18.3324 90; 103.171; 90	3223.54	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550552	CIF	C56 H62 Mg2 N4	P 1 21/c 1	18.7478; 12.7752; 20.4162 90; 100.287; 90	4811.2	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550553	CIF	C74 H98 Ge Mg N3 Si	P -1	11.053; 12.9063; 23.4106 99.68; 97.495; 95.233	3242	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550554	CIF	C103 H120 N2 Si2 Zn2	C 1 c 1	14.8102; 18.9756; 31.5018 90; 98.531; 90	8755.1	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550555	CIF	C22 H17 N2 O0.5	C 1 2/c 1	19.1394; 8.9002; 19.2392 90; 107.39; 90	3127.5	Obata, Atsushi; Sasagawa, Akane; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Nickel-Catalyzed Oxidative C-H/N-H Annulation of N-Heteroaromatic Compounds with Alkynes Chemical Science, 2019
1550556	CIF	C25 H26 I N O6 S	P 1 21/n 1	8.0732; 30.9671; 10.1196 90; 97.056; 90	2510.78	Caramenti, Paola; Declas, Nina; Tessier, Romain; Wodrich, Matthew D.; Waser, Jerome Stereoselective Synthesis of Alkyl-, Aryl-, Vinyl- and Alkynyl-Substituted Z- Enamides and Enol Ethers Chemical Science, 2019
1550557	CIF	C39 H63 Lu N3 P3	P -1	10.6585; 11.7628; 17.3425 90.309; 91.012; 112.41	2009.6	Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment Chemical Science, 2019
1550558	CIF	C46 H71 Lu N3 Ni P3	P 1 21/c 1	12.9011; 14.025; 25.5191 90; 94.979; 90	4599.9	Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment Chemical Science, 2019
1550559	CIF	C48 H79 Lu N6 P3	P 1 21/c 1	11.5369; 38.7027; 11.85 90; 112.211; 90	4898.5	Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment Chemical Science, 2019
1550560	CIF	C43 H71 Lu N3 Ni O P3	P -1	11.4262; 12.1111; 17.7291 76.841; 81.233; 68.244	2212.5	Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment Chemical Science, 2019
1550561	CIF	C45 H72 Lu N6 Ni P3	P -1	10.7814; 10.8562; 20.1873 78.273; 79.603; 78.339	2241.69	Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment Chemical Science, 2019
1550562	CIF	C36 H72 Cu2.01 Li1.99 N4	P 1 21/c 1	11.679; 22.808; 15.234 90; 108.9; 90	3839.2	Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019
1550563	CIF	C33 H59 Cu3.12 Li0.88 N3	P b c a	11.3883; 18.8747; 31.9081 90; 90; 90	6858.7	Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019
1550564	CIF	C33 H59 Cu4 N3	P c a 21	11.2175; 15.925; 18.9824 90; 90; 90	3391	Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019
1550565	CIF	C30 H46 Cu2 Li2 N2	P b c a	8.6647; 16.1964; 21.7364 90; 90; 90	3050.42	Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019
1550566	CIF	C33 H59 Cu2 Li2 N3	P 1 21/n 1	15.4346; 12.0863; 19.5308 90; 110.296; 90	3417.21	Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019
1550567	CIF HKL Paper	C19 H20 O6	P n a 21	7.7143; 28.907; 7.501 90; 90; 90	1672.7	Lee, Ji Hye; Koh, Dongsoo (<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one IUCrData, 2019, 4, x190179
1550568	CIF HKL	C29 H25 F N2 O4	P 21 21 21	9.959; 10.49; 23.62 90; 90; 90	2467.6	Li, Yu-Long; Zhou, Jin; Zhong, Kai-Long; Shi, Xing-Hao; Zhang, Zhi-Yuan; Jiang, Hong; Sun, Hong-Shun Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate) IUCrData, 2019, 4, x190134
1550569	CIF	C17 H20 O7	P 1 21/c 1	18.2208; 9.3925; 9.6745 90; 92.591; 90	1653.99	Scheidt, Karl A.; Betori, Rick; McDonald, Benjamin Reductive Annulations of Arylidene Malonates With Unsaturated Electrophiles Using Photoredox/Lewis Acid Cooperative Catalysis Chemical Science, 2019
1550570	CIF	C21 H24 N4 O3	C 1 2/c 1	22.4783; 11.4618; 15.6035 90; 92.056; 90	4017.53	Saunthwal, Rakesh; Cornall, Matthew; Abrams, Roman; Ward, John; Clayden, Jonathan Connective Synthesis of 5,5-Disubstituted Hydantoins by Tandem α-Amination and α-Arylation of Silyl Ketene Acetals Chemical Science, 2019
1550571	CIF	C16 H21 N3 O4	P 1 21/c 1	21.1353; 9.1587; 16.9027 90; 92.271; 90	3269.32	Saunthwal, Rakesh; Cornall, Matthew; Abrams, Roman; Ward, John; Clayden, Jonathan Connective Synthesis of 5,5-Disubstituted Hydantoins by Tandem α-Amination and α-Arylation of Silyl Ketene Acetals Chemical Science, 2019
1550572	CIF	C80 H112 N4 O21 Rh2	P -1	10.9672; 12.007; 15.6024 78.603; 84.035; 72.96	1923.3	Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts Chemical Science, 2019
1550573	CIF	C88 H128 N8 O18 Rh2 S6	P -1	13.4068; 14.036; 14.1837 68.831; 72.514; 69.919	2289.69	Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts Chemical Science, 2019
1550574	CIF	C88 H100 F24 N8 O16 Rh2 S4	P -1	14.0242; 14.3859; 17.8002 89.158; 89.755; 62.152	3174.9	Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts Chemical Science, 2019
1550575	CIF	C22 H29 O2 P	P 1 21 1	6.4762; 7.8291; 18.9197 90; 92.615; 90	958.28	Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer Chemical Science, 2019
1550576	CIF	C21 H28 Cl3 O P Ru	P 1 21/c 1	15.7335; 7.0904; 20.8392 90; 105.282; 90	2242.6	Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer Chemical Science, 2019
1550577	CIF	C21 H34 Na O6 P	P 1 21/c 1	18.5288; 14.5736; 19.2314 90; 113.995; 90	4744.3	Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer Chemical Science, 2019
1550578	CIF	C52 H50	P 1 21/n 1	16.156; 11.811; 20.079 90; 93.63; 90	3823.8	Majewski, Marcin Aleksander; Chmielewski, Piotr Jan; Chien, Alan; Hong, Yongseok; Lis, Tadeusz; Witwicki, Maciej; Kim, Dongho; Zimmerman, Paul; Stępień, Marcin 5,10-Dimesityldiindeno[1,2-a:2',1'-i]phenanthrene: A Stable Biradicaloid Derived from Chichibabin’s Hydrocarbon Chemical Science, 2019
1550579	CIF	C26 H24 Br N3 O3 S	P 63	17.66; 17.66; 13.5994 90; 90; 120	3673.1	JARRIGE , Lucie; Glavač, Danijel; Levitre, Guillaume; Retailleau, Pascal; Bernadat, Guillaume; Neuville, luc; Masson, Geraldine Chiral Phosphoric Acid-Catalyzed Enantioselective Construction of Structurally Diverse Benzothiazolopyrimidines Chemical Science, 2019
1550580	CIF	C18 H17 Br N2 O S	P 1 21 1	9.6687; 8.1636; 11.2423 90; 104.07; 90	860.75	JARRIGE , Lucie; Glavač, Danijel; Levitre, Guillaume; Retailleau, Pascal; Bernadat, Guillaume; Neuville, luc; Masson, Geraldine Chiral Phosphoric Acid-Catalyzed Enantioselective Construction of Structurally Diverse Benzothiazolopyrimidines Chemical Science, 2019
1550581	CIF	C18 H26 Ag N7 O13	P 32	30.382; 30.382; 14.976 90; 90; 120	11972	houlton, andrew; Mistry, Liam; El-Zubir, Osama; Horrocks, Ben R.; Dura, Gema; Clegg, William; Waddell, Paul G.; Hofer, Werner; pope, thomas; Wright, Nicholas Addressing the Properties of “Metallo-DNA” with a Ag(I)-Mediated Supramolecular Duplex Chemical Science, 2019
1550582	CIF	C23 H30 N2 O	P 21 21 21	9.8225; 10.4555; 19.967 90; 90; 90	2050.59	Vasu, Dhananjayan; Fuentes de Arriba, Angel L.; Leitch, Jamie; de Gombert, Antoine; Dixon, Darren Primary α-Tertiary Amine Synthesis via α-C‒H Functionalization Chemical Science, 2019
1550583	CIF HKL Paper	C8 H13 B K O6.5	C 1 2/c 1	12.3919; 10.7917; 19.9794 90; 103.138; 90	2601.9	Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Potassium bis(2-methyllactato)borate hemihydrate IUCrData, 2019, 4, x190202
1550584	CIF HKL Paper	C21 H24 N2 O4	P 1 21/c 1	10.6258; 10.2217; 18.0993 90; 90.798; 90	1965.64	Lee, Ji Hye; Koh, Dongsoo Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate IUCrData, 2019, 4, x190193
1550585	CIF	C43 H24 F6 Ir N5 S2	P 1 21/n 1	8.4135; 22.5714; 19.5667 90; 95.368; 90	3699.5	Lu, Guang-Zhao; Su, ning; Yang, Huiqing; Zhu, Qi; Zhang, Wen-Wei; Zheng, Youxuan; Zhou, Liang; Zuo, Jing-Lin; Chen, Zhao-Xu; Zhang, Hongjie Rapid room temperature synthesis of red iridium(III) complexes containing four-membered Ir-S-C-S chelating ring for highly efficient OLEDs with EQE over 30% Chemical Science, 2019
1550586	CIF	C37 H30 F6 Ir N5 S2	P 1 21/n 1	13.9038; 34.924; 15.0724 90; 92.347; 90	7312.7	Lu, Guang-Zhao; Su, ning; Yang, Huiqing; Zhu, Qi; Zhang, Wen-Wei; Zheng, Youxuan; Zhou, Liang; Zuo, Jing-Lin; Chen, Zhao-Xu; Zhang, Hongjie Rapid room temperature synthesis of red iridium(III) complexes containing four-membered Ir-S-C-S chelating ring for highly efficient OLEDs with EQE over 30% Chemical Science, 2019
1550587	CIF HKL Paper	C27 H17 Cl F N3 O2 S	P b c a	7.9243; 23.7112; 24.927 90; 90; 90	4683.7	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one IUCrData, 2019, 4, x190170
1550588	CIF HKL Paper	C23 H17 Cl F N5 O S	P 1 21/c 1	5.2879; 26.3742; 15.7872 90; 98.293; 90	2178.73	El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. 5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole IUCrData, 2019, 4, x190211
1550589	CIF	C45 H61 Cl N4 Ni O2	P 1 21/n 1	13.217; 20.737; 16.3 90; 112.083; 90	4140	Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology, 2019
1550590	CIF	C45 H52 Br N4 Ni O2	P 1 21/n 1	13.1252; 20.65; 16.188 90; 112.956; 90	4040	Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology, 2019
1550591	CIF	C45 H50 N5 Ni	P 1 21/c 1	14.185; 10.668; 25.257 90; 94.686; 90	3809	Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology, 2019
1550592	CIF	C94 H104 Br2 N8 Ni2 O	P -1	12.62; 16.578; 20.317 77.4; 84.597; 86.947	4127.5	Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology, 2019
1550593	CIF	C49 H54 N5 Ni	P 1 21/c 1	11.812; 21.544; 16.48 90; 91.636; 90	4192.1	Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology, 2019
1550594	CIF	C46 H46 N3 Ni	C 1 2/c 1	29.913; 13.087; 20.428 90; 99.079; 90	7896.8	Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology, 2019
1550595	CIF	C57 H69 N5 Ni O	P -1	12.662; 12.701; 16.94 72.52; 78.286; 84.831	2543.1	Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology, 2019
1550596	CIF	C22 H18 Br N O2	P 21 21 21	9.3465; 10.4901; 18.9441 90; 90; 90	1857.4	Rezayee, Nomaan Mohammed; Lauridsen, Vibeke Henriette; Næsborg, Line; Nguyen, Thanh V. Q.; Tobiesen, Henriette Natorp; Jorgensen, Karl Anker Oxidative Organocatalysed Enantioselective Coupling of Indoles with Aldehydes that Forms Quaternary Carbon Stereocentres Chemical Science, 2019
1550597	CIF	C6 H20 Cl2 Cu N4 O	P 21 21 21	7.0684; 10.5124; 16.554 90; 90; 90	1230.06	Fu, Chunyan; Lizhao, Junhong; Luo, Zhenghui; Wang, Tao; Grapperhaus, Craig A.; Ding, Xueqin; Kang, Y. James Active uptake of hydrophilic copper complex Cu(ii)-TETA in primary cultures of neonatal rat cardiomyocytes. Metallomics : integrated biometal science, 2019, 11, 565-575
1550598	CIF	Al2 H4 O9 Si2	P 1	5.17375; 8.98502; 7.35224 91.6843; 105.128; 89.7549	329.789	Richard, D.; Rendtorff, N. M. First principles study of structural properties and electric field gradients in kaolinite Applied Clay Science, 2019, 169, 67-73
1550599	CIF	C64 H36 Cl4 N22 Ru2	P -1	12.9007; 14.8064; 18.5391 89.44; 81.175; 87.749	3496.6	Archer, Stuart; Raza, Ahtasham; Dröge, Fabian; Robertson, Craig C.; Auty, Alexander J.; Chekulaev, Dimitri M.; Weinstein, Julia; Keane, Theo; Meijer, Anthony J. H. M.; Haycock, John; MacNeil, Sheila; Thomas, Jim A. A dinuclear ruthenium(II) phototherapeutic that targets duplex and quadruplex DNA Chemical Science, 2019
1550600	CIF	C30 H46 Cl2 Ge2 N4 O2	P -1	8.2234; 10.4654; 11.0901 105.331; 105.474; 104.265	833.9	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550601	CIF	C42 H58 Ge2 N6 O2	P 1 21/n 1	9.571; 13.665; 15.943 90; 91.027; 90	2084.8	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550602	CIF	C39 H28 B F15 Ge N2 O S	P 1 21/c 1	15.032; 11.229; 23.3 90; 104.94; 90	3800	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550603	CIF	C52 H70 Ge2 N6 O2	P 1 21/n 1	10.595; 15.635; 14.875 90; 92.261; 90	2462.2	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550604	CIF	C40 H30 B Cl2 F15 Ge N2 O	P -1	12.501; 12.739; 15.229 97.161; 106.18; 115.904	2008.1	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550605	CIF	C42 H30 B Cl F15 Ge N2 O	P -1	11.7566; 13.7449; 13.7689 65.642; 74.276; 74.609	1920.9	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550606	CIF	C39 H41 B F15 Ge N3 O Si2	P -1	11.6826; 12.4053; 17.1901 83.572; 87.402; 73.342	2371.5	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550607	CIF	C34 H25 B Cl3 F15 Ge N2 O	P -1	11.7309; 13.344; 13.627 62.827; 73.967; 81.201	1823	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550608	CIF	C35 H28 B Cl2 F15 Ge N2 O	P 21 21 21	12.1298; 15.8356; 19.4206 90; 90; 90	3730.4	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550609	CIF	C44 H62 Ge2 N6 O2	P -1	12.9207; 12.9316; 14.5928 69.991; 89.472; 71.225	2155.2	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550610	CIF	C38 H29 B Cl2 F15 Ge N3 O	P -1	12.436; 12.462; 15.186 106.723; 96.368; 115.028	1967.5	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550611	CIF	C51 H38 B F15 Ge N2 O2 Si	P -1	11.625; 15.0956; 15.2052 82.564; 69.443; 69.839	2345.2	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550612	CIF	C37 H32 B F15 Ge N2 O2	P 1 21/n 1	11.415; 38.762; 17.556 90; 96.277; 90	7721	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity Chemical Science, 2019
1550613	CIF	C60 H61.5 F0.5 N3 P2	P -1	10.7104; 13.0233; 20.6386 87.872; 83.02; 65.815	2606.38	Schulz, Axel; Bresien, Jonas; Kroeger-Badge, Thomas; Lochbrunner, Stefan; Michalik, Dirk; Müller, Henrik; Zander, Edgar A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls Chemical Science, 2019
1550614	CIF	C60 H61.5 F0.5 N3 P2	P -1	10.5944; 12.9038; 20.3409 85.38; 82.564; 66.245	2522.5	Schulz, Axel; Bresien, Jonas; Kroeger-Badge, Thomas; Lochbrunner, Stefan; Michalik, Dirk; Müller, Henrik; Zander, Edgar A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls Chemical Science, 2019
1550615	CIF	C72 H162 K N O24 Si6 U2	P 1 21/c 1	14.21; 28.1537; 27.91 90; 104.632; 90	10804	Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex Chemical Science, 2019
1550616	CIF	C73 H162 K2 N2 O26 Si6 U2	P 1 21 1	13.9377; 17.9175; 22.0849 90; 92.306; 90	5510.8	Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex Chemical Science, 2019
1550617	CIF	C73 H162 K2 N2 O24 S2 Si6 U2	P 1 21 1	13.9065; 18.2338; 22.181 90; 92.45; 90	5619.3	Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex Chemical Science, 2019
1550618	CIF	C81 H170 K2 N2 O26 Si6 U2	P 1 21 1	13.9927; 18.2874; 22.208 90; 93.321; 90	5673.3	Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex Chemical Science, 2019
1550619	CIF	C79 H172 K2 N2 O24 Si6 U2	P 1 21/n 1	14.4207; 17.5321; 21.9098 90; 91.84; 90	5536.5	Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex Chemical Science, 2019
1550620	CIF	C72 H162 K2 N4 O24 Si6 U2	P 1 21/n 1	14.382; 17.661; 21.819 90; 92.012; 90	5538.6	Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex Chemical Science, 2019
1550621	CIF	C11 H20 B10 S2	P 1 21/c 1	12.427; 12.068; 11.6342 90; 92.622; 90	1742.9	Messina, Marco S.; Graefe, Christian T.; Chong, Paul; Ebrahim, Omar M.; Pathuri, Ramya S.; Bernier, Nicholas A.; Mills, Harrison A.; Rheingold, Arnold L.; Frontiera, Renee R.; Maynard, Heather D.; Spokoyny, Alexander M. Carborane RAFT agents as tunable and functional molecular probes for polymer materials Polymer Chemistry, 2019, 10, 1660
1550622	CIF	C36 H21 F20 O3 P	P -1	9.973; 10.483; 19.394 88.696; 79.354; 62.57	1764.13	Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring Chemical Science, 2019
1550623	CIF	C37 H23 Cl2 F20 O3 P	C 1 2/c 1	39.273; 9.553; 26.355 90; 127.505; 90	7843.9	Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring Chemical Science, 2019
1550624	CIF	C56 H60 F20 K O11 P	P -1	11.03; 12.802; 23.276 105.47; 92.07; 96.064	3142.8	Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring Chemical Science, 2019
1550625	CIF	C44 H36 F20 K O5 P	P 1 21/n 1	18.972; 13.493; 19.631 90; 111.443; 90	4677.5	Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring Chemical Science, 2019
1550626	CIF	C56 H68 F12 K O12 P	P 1 21/c 1	15.552; 13.58; 28.022 90; 95.733; 90	5889	Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring Chemical Science, 2019
1550627	CIF	C44 H46 O4	P -1	10.8484; 11.0591; 15.2489 76.98; 84.293; 86.909	1772.66	Ye, Changqing; Li, Yajun; Zhu, Xiaotao; Hu, Shengmin; Yuan, Daqiang; Bao, Hongli Copper-Catalyzed 1,4-Alkylarylation of 1,3-Enynes with Masked Alkyl Electrophiles Chemical Science, 2019
1550628	CIF HKL Paper	C20 H17 N5 O	P -1	9.7894; 10.983; 17.2596 93.49; 95.702; 107.729	1750.67	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde IUCrData, 2019, 4, x190217
1550629	CIF	C148.57 H175.16 B6 Cl5.16 Fe N10	P 21 21 21	17.5522; 21.2914; 35.9929 90; 90; 90	13450.9	McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range Chemical Science, 2019
1550630	CIF	C44 H99 Fe N13 O5	C 1 c 1	16.3801; 15.2273; 22.2072 90; 92.0316; 90	5535.5	McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range Chemical Science, 2019
1550631	CIF	C263.25 H130.49 B6 Cl10.49 F90 Fe N10 P8	P -1	19.29; 19.912; 20.432 65.073; 68.449; 80.849	6619	McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range Chemical Science, 2019
1550632	CIF	C15 H18 N2 O S	P 1 21/n 1	5.9659; 16.3145; 14.5127 90; 99.253; 90	1394.15	Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology, 2019
1550633	CIF	C12 H12 O2 S	P b c a	16.151; 7.314; 19.036 90; 90; 90	2249	Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology, 2019
1550634	CIF	C9 H14 N2 O S	P 1 21/n 1	7.5382; 12.2061; 10.8739 90; 95.949; 90	995.14	Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology, 2019
1550635	CIF	C15 H16 O2 S	P 1 21/c 1	11.978; 7.388; 16.198 90; 109.288; 90	1353	Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology, 2019
1550636	CIF	C30 H48 As2 F12 Fe N10	P -1	9.4189; 10.3506; 22.444 91.428; 100.894; 99.001	2118.9	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material Chemical Science, 2019
1550637	CIF	C30 H48 As1.44 F12 Fe N10 P0.56	P -1	9.411; 10.309; 22.379 91.52; 100.995; 98.955	2101.8	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material Chemical Science, 2019
1550638	CIF	C30 H48 As1.42 F12 Fe N10 P0.58	P -1	9.2858; 10.409; 22.2722 83.796; 78.275; 81.416	2077.5	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material Chemical Science, 2019
1550639	CIF	C30 H48 As2 F12 Fe N10	P -1	9.614; 10.2571; 21.9999 91.522; 96.193; 98.456	2131.4	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material Chemical Science, 2019
1550640	CIF	C30 H48 F12 Fe N10 P2	P -1	9.3885; 10.2632; 22.273 91.779; 101.106; 98.904	2076.46	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material Chemical Science, 2019
1550641	CIF	C30 H48 F12 N10 Ni P2	P -1	9.1245; 10.515; 21.6376 83.769; 78.852; 81.928	2009.56	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material Chemical Science, 2019
1550642	CIF	C30 H48 As1.42 F12 Fe N10 P0.58	P -1	9.588; 10.0652; 21.074 93.89; 93.68; 100.469	1989.2	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material Chemical Science, 2019
1550643	CIF	C23 H17 N O S	P 1 21/c 1	19.92637; 6.63771; 13.28322 90; 96.4721; 90	1745.71	Xu, Wenhan; Lee, Michelle M. S.; Zhang, Zhihan; Sung, Herman H-Y.; Williams, Ian Duncan; Kwok, Ryan T. K.; Lam, Jacky Wing Yip; Wang, Dong; Tang, Ben Zhong Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy Chemical Science, 2019
1550644	CIF	C25 H21 N O3 S	P 1 21/n 1	9.89163; 19.5816; 10.94012 90; 107.593; 90	2019.92	Xu, Wenhan; Lee, Michelle M. S.; Zhang, Zhihan; Sung, Herman H-Y.; Williams, Ian Duncan; Kwok, Ryan T. K.; Lam, Jacky Wing Yip; Wang, Dong; Tang, Ben Zhong Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy Chemical Science, 2019
1550645	CIF HKL Paper	C22 H21 F N8 O	P n a 21	12.2574; 7.6912; 22.821 90; 90; 90	2151.4	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. 1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide IUCrData, 2019, 4, x190261
1550646	CIF HKL Paper	C25 H17 Cl F N3 S	P 1 21/c 1	11.6975; 11.0671; 16.5395 90; 100.303; 90	2106.6	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole IUCrData, 2019, 4, x190218
1550647	CIF HKL Paper	C28 H23 F N6 S	P 21 21 21	6.493; 13.8065; 27.539 90; 90; 90	2468.8	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. 2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole IUCrData, 2019, 4, x190240
1550648	CIF HKL Paper	C19 H12 N2 O3	P 21 21 21	10.432; 11.297; 12.688 90; 90; 90	1495.3	Onami, Yuika; Siddaraju, Budanur P.; Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Haraguchi, Tomoyuki; Akitsu, Takashiro (<i>Z</i>)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile IUCrData, 2019, 4, x190220
1550649	CIF HKL Paper	C6 H15 Cl N Na O3	P 1 21 1	7.7981; 7.2249; 8.9956 90; 110.38; 90	475.09	Krabbe, Christina; Gock, Vinusuya; Lutter, Michael; Jurkschat, Klaus The sodium chloride complex <i>catena</i>-poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride], N(CH~2~CH~2~OH)~3~·NaCl IUCrData, 2019, 4, x190238
1550650	CIF	Ge Na2 S4 Sr	R 3 c :H	23.5427; 23.5427; 6.9458 90; 90; 120	3334	Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials Chemical Science, 2019
1550651	CIF	Ge Li2 S4 Sr	I -4 2 m	6.542; 6.542; 7.751 90; 90; 90	331.73	Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials Chemical Science, 2019
1550652	CIF	Na2 S4 Sn Sr	R 3 c :H	23.838; 23.838; 7.115 90; 90; 120	3501.4	Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials Chemical Science, 2019
1550653	CIF	Li2 S4 Sn Sr	I -4 2 m	6.659; 6.659; 7.918 90; 90; 90	351.1	Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials Chemical Science, 2019
1550654	CIF	C22 H56 Cl9 Mn2 N5 O6	P 21 21 21	9.0363; 20.0218; 21.2177 90; 90; 90	3838.8	Sun, Meng-En; Li, Yao; Dong, Xi-Yan; Zang, Shuang-Quan Thermoinduced Structural-Transformation and Thermochromic Luminescence in Organic Manganese Chloride Crystals Chemical Science, 2019
1550655	CIF	C8 H20 Cl4 Mn N2 O2	P 1 21/c 1	6.544; 16.1548; 14.6769 90; 95.619; 90	1544.14	Sun, Meng-En; Li, Yao; Dong, Xi-Yan; Zang, Shuang-Quan Thermoinduced Structural-Transformation and Thermochromic Luminescence in Organic Manganese Chloride Crystals Chemical Science, 2019
1550656	CIF	C37 H26 Cl2	P 21 21 21	8.2031; 16.729; 19.7339 90; 90; 90	2708.08	Lovell, Terri Christine; Colwell, Curtis Eugene; Zakharov, Lev; Jasti, Ramesh Symmetry Breaking and the Turn-On Fluorescence of Small, Highly Strained Carbon Nanohoops Chemical Science, 2019
1550657	CIF	C29 H31 N O	P 1 21/c 1	10.6917; 22.9933; 10.4658 90; 112.22; 90	2381.82	Bai, Da-Chang; xia, jintao; song, fangfang; li, xueyan; Liu, Bingxian; liu, lihong; zheng, guangfan; Yang, Xifa; Sun, Jiaqiong; Li, Xingwei Rhodium(III)-Catalyzed Diverse [4+1] Annulation of Arenes with 1,3-Enynes via sp3/sp2 C-H Activation and 1,4-Rhodium Migration Chemical Science, 2019
1550658	CIF	C20 H20 F6 N P	P 1 21/n 1	8.9088; 16.7762; 13.3993 90; 101.004; 90	1965.78	Bai, Da-Chang; xia, jintao; song, fangfang; li, xueyan; Liu, Bingxian; liu, lihong; zheng, guangfan; Yang, Xifa; Sun, Jiaqiong; Li, Xingwei Rhodium(III)-Catalyzed Diverse [4+1] Annulation of Arenes with 1,3-Enynes via sp3/sp2 C-H Activation and 1,4-Rhodium Migration Chemical Science, 2019
1550659	CIF	C137 H128 Cl3 N9 O2 Zn	P -1	16.2073; 16.4367; 24.593 87.881; 87.409; 77.762	6393.5	Wolf, Maximilian; Ogawa, Ayumu; Bechtold, Mareike; Vonesch, Maxime; Wytko, Jennifer; Oohora, Koji; Campidelli, Stephane; Hayashi, Takashi; Guldi, Dirk M.; Weiss, Jean Light Triggers Molecular Shuttling in Rotaxanes: Control over Proximity and Charge Recombination Chemical Science, 2019
1550660	CIF	C32 H26 Br1.25 Cl0.75 N2 O2	P -1	10.912; 10.9997; 11.6021 91.68; 97.459; 91.733	1379.4	Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H. Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 989-992
1550661	CIF	C32 H26 Br0.8 Cl1.2 N2 O2	P n a 21	18.9449; 9.4629; 14.4914 90; 90; 90	2597.93	Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H. Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 989-992
1550662	CIF	C32 H26 Br0.65 Cl1.35 N2 O2	P -1	10.9822; 10.9866; 11.604 98.151; 90.796; 91.779	1385.1	Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H. Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 989-992
1550663	CIF	C32 H26 Br Cl N2 O2	P -1	10.9647; 11.016; 11.6107 91.273; 97.696; 91.769	1388.64	Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H. Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 989-992
1550664	CIF	C10 H12 N2 O3 S	P 1 21/c 1	9.36375; 15.7571; 15.7989 90; 100.932; 90	2288.76	Balachandar, S.; Sethuram, M.; Muthuraja, P.; Dhandapani, M. Bioactivity of a radical scavenger bis(pyrazolium <i>p</i>-toluenesulphonate) on ctDNA and certain microbes: a combined experimental and theoretical analysis. Toxicology research, 2019, 8, 421-431
1550665	CIF	C83 H99 Mn4 N13 O25	P 1 21 1	10.0867; 15.69; 15.2941 90; 105.464; 90	2332.82	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550666	CIF	C14 H9 Cu N O4	R -3 m	18.6355; 18.6355; 34.4019 90; 90; 120	10346.5	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550667	CIF	C40 H22 N2 O16 Zr3	C 1 2/m 1	35.346; 18.477; 18.0998 90; 92.956; 90	11805	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550668	CIF	C24 H13 B3 Hf3 O20	I 41/a m d	40.4997; 40.4997; 16.9534 90; 90; 90	27807.4	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550669	CIF	C57 H12 N6 O38 Zr6	I m -3 m	19.225; 19.225; 19.225 90; 90; 90	7105.6	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550670	CIF	C14 H11 Cd N O5	P -1	7.6897; 8.7992; 12.7198 87.203; 74.302; 76.159	804.39	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550671	CIF	C24 H13 B3 O20 Zr3	I 41/a m d	40.5746; 40.5746; 17.0198 90; 90; 90	28019.7	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550672	CIF	C14 H9 N O4 Zn	R -3 m	18.4038; 18.4038; 34.5026 90; 90; 120	10120.4	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550673	CIF	C160 H96 Cd7 N8 O48	C 1 2/c 1	32.872; 19.2171; 32.4 90; 105.239; 90	19748	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550674	CIF	C40 H22 In N2 O8	P n n a	32.0315; 28.2049; 19.86 90; 90; 90	17942.4	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550675	CIF	C80 H44 N4 O24 Zn5	R -3 c	54.3601; 54.3601; 42.0659 90; 90; 120	107652	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
1550676	CIF	C18 H26 F3 N O3 S	P b c a	8.2322; 16.009; 30.617 90; 90; 90	4035	Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019
1550677	CIF	C20 H30 F3 N O3 S	C 1 2/c 1	33.4373; 8.2621; 15.8008 90; 93.54; 90	4356.8	Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019
1550678	CIF	C34 H52 N2	P 1 21/c 1	15.176; 15.7667; 12.417 90; 96.938; 90	2949.3	Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019
1550679	CIF	C19 H28 F3 N O3 S	C 1 2/c 1	34.1987; 8.2153; 15.7716 90; 101.86; 90	4336.5	Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019
1550680	CIF	C138 H202 F19 N6 O18 S6	I 1 2/m 1	18.9188; 10.3807; 35.7997 90; 97.509; 90	6970.4	Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019
1550681	CIF	C24 H19 Bi F3 N3 O4 S	P 1 21/n 1	15.1161; 9.3373; 18.4406 90; 110.474; 90	2438.36	Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl Chemical Science, 2019
1550682	CIF	C37 H33 Bi F3 N5 O3 S	P 1 21/c 1	11.2452; 16.0336; 19.9108 90; 96.575; 90	3566.3	Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl Chemical Science, 2019
1550683	CIF	C27.5 H24.5 Bi F3 N4.5 O3 S	P 1 21/c 1	17.7873; 19.5468; 17.094 90; 108.196; 90	5646.1	Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl Chemical Science, 2019
1550684	CIF	C32.51 H35.44 Bi F3 N4.51 O3.49 S	P 1 21/n 1	10.527; 27.102; 11.87 90; 91.991; 90	3384	Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl Chemical Science, 2019