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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

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