Crystallography Open Database
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Searching year of publication is 2022
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1567781 | CIF | C11 H14 F Fe O2 P | P b c a | 21.4541; 9.6814; 23.524 90; 90; 90 | 4886.07 | Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C. Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins. Chemical science, 2022, 13, 12696-12702 |
| 1567782 | CIF | C20 H18 O2 | P 1 21/c 1 | 17.416; 7.3263; 11.8242 90; 93.273; 90 | 1506.25 | Wang, Wang; Cai, Yanyao; Guo, Renyu; Brown, M. Kevin Synthesis of Complex Bicyclic Scaffolds by Intermolecular Photosensitized Dearomative Cycloadditions of Activated Alkenes and Naphthalenes Chemical Science, 2022 |
| 1567783 | CIF | C20 H18 O2 | P 1 21/n 1 | 9.6874; 14.9785; 11.1842 90; 113.606; 90 | 1487.1 | Wang, Wang; Cai, Yanyao; Guo, Renyu; Brown, M. Kevin Synthesis of Complex Bicyclic Scaffolds by Intermolecular Photosensitized Dearomative Cycloadditions of Activated Alkenes and Naphthalenes Chemical Science, 2022 |
| 1567784 | CIF | C21 H27 Cl N O1.5 | P 1 21 1 | 16.0511; 7.76; 17.0992 90; 117.512; 90 | 1888.96 | Wang, Wang; Cai, Yanyao; Guo, Renyu; Brown, M. Kevin Synthesis of Complex Bicyclic Scaffolds by Intermolecular Photosensitized Dearomative Cycloadditions of Activated Alkenes and Naphthalenes Chemical Science, 2022 |
| 1567785 | CIF | C62 H62 Mn N8 O26 | P -1 | 7.5317; 14.206; 14.536 107.443; 92.616; 94.61 | 1475 | Duan, Xinde; Xia, Minqi; Hu, Xixi; Yang, Lijun; Zheng, Hegen Interfacing MnO and FeCo alloy inside N-doped carbon hierarchical porous nanospheres derived from metal-organic framework boosts high-performance oxygen reduction for Zn–air batteries Nanoscale, 2022 |
| 1567786 | CIF | C15 H20 O2 | P 21 21 21 | 5.60939; 10.26643; 22.2551 90; 90; 90 | 1281.64 | Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B. Chemical science, 2022, 13, 12776-12781 |
| 1567787 | CIF | C25 H32 O4 | P 21 21 21 | 5.5419; 15.3789; 25.7913 90; 90; 90 | 2198.15 | Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B. Chemical science, 2022, 13, 12776-12781 |
| 1567788 | CIF | C16 H16 F6 Mn N4 O6 S2 | P -1 | 8.8255; 11.6235; 12.598 73.4523; 75.8056; 72.4567 | 1163.1 | Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins Catalysis Science & Technology, 2022, 12, 7341-7348 |
| 1567789 | CIF | C14 H15 F6 Mn N3 O7 S2 | P 1 2/n 1 | 8.9946; 9.9209; 12.2244 90; 105.646; 90 | 1050.42 | Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins Catalysis Science & Technology, 2022, 12, 7341-7348 |
| 1567790 | CIF | C10 H9 F7 N2 O3 | P -1 | 8.4543; 8.9233; 9.8274 111.704; 98.837; 101.362 | 654.12 | Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979 |
| 1567791 | CIF | C9 H9 F5 N2 O3 | P -1 | 7.9519; 8.3267; 9.1611 82.449; 72.42; 77.031 | 562.18 | Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979 |
| 1567792 | CIF | C11 H8 F5 N | P 1 21/n 1 | 7.832; 6.1313; 22.493 90; 93.678; 90 | 1077.9 | Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979 |
| 1567793 | CIF | C20 H18 F5 N O5 | I 1 2 1 | 20.3374; 7.1756; 14.0098 90; 92.999; 90 | 2041.69 | Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979 |
| 1567794 | CIF | C21.5 H25 Cu N6.75 O7 | P 1 21/c 1 | 14.2321; 13.2378; 14.6287 90; 93.153; 90 | 2751.9 | Zeng, Heng; Xie, Xiao-Jing; Wang, Ying; Luo, Dong; Wei, Rong-Jia; Lu, Weigang; Li, Dan Spatial disposition of square-planar mononuclear nodes in metal-organic frameworks for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation. Chemical science, 2022, 13, 12876-12882 |
| 1567795 | CIF | C32 H51 Cl2 F3 Ir2 N2 O5 P2 S | P 1 21/c 1 | 14.7885; 17.1958; 15.9928 90; 96.222; 90 | 4043 | Do, Van K.; Alfonso Vargas, Nicolas; Chavez, Anthony J.; Zhang, Long; Cherepakhin, Valeriy; Lu, Zhiyao; Currier, Robert P.; Dub, Pavel A.; Gordon, John C.; Williams, Travis J. Pressurized formic acid dehydrogenation: an entropic spring replaces hydrogen compression cost Catalysis Science & Technology, 2022, 12, 7182-7189 |
| 1567796 | CIF | C14.96 H11.84 Cl0.02 N2 O5.98 Pt0.02 S0.98 | P 1 21/c 1 | 14.2283; 12.4939; 8.2937 90; 98.4225; 90 | 1458.44 | Maciulis, Nicholas A.; Wasim, Eman; Rezvani, Fereshteh; Pink, Maren; Sterbinsky, George E.; Caulton, Kenneth G.; Tait, Steven L. Carboxylic acid ligand substituent impacts hydrosilylation activity of platinum single atom catalysts on ceria Catalysis Science & Technology, 2022, 12, 7349-7360 |
| 1567797 | CIF | C75 H61 | P -1 | 18.1166; 19.1083; 19.7848 114.665; 95.802; 90.221 | 6184.2 | Xu, Xiushang; Serra, Gianluca; Villa, Andrea; Muñoz-Mármol, Rafael; Vasylevskyi, Serhii; Gadea, Marcos; Lucotti, Andrea; Lin, Zesen; Boj, Pedro G.; Kabe, Ryota; Tommasini, Matteo; Diaz-Garcia, Maria Angeles; Scotognella, Francesco; Paternò, Giuseppe Maria; Narita, Akimitsu Synthesis of Zigzag- and Fjord-Edged Nanographene with Dual Amplified Spontaneous Emission Chemical Science, 2022 |
| 1567798 | CIF | C124 H180 Au21 P4 S12 | P -1 | 15.416; 15.9669; 19.0841 111.495; 112.712; 93.327 | 3921.4 | Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters Nanoscale, 2022 |
| 1567799 | CIF | C172 H240 Au25 B P4 S16 | C 1 2/c 1 | 49.7888; 17.4433; 31.9121 90; 129.254; 90 | 21461.1 | Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters Nanoscale, 2022 |
| 1567800 | CIF | C120 H186 Au22 Cl4 Fe P2 S14 | P -1 | 15.8416; 17.5548; 29.6424 80.682; 82.909; 63.942 | 7295 | Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters Nanoscale, 2022 |
| 1567801 | CIF | C148 H196 Au21 B P4 S12 | P -1 | 17.4996; 21.3266; 26.0965 69.41; 83.622; 74.583 | 8787.5 | Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters Nanoscale, 2022 |
| 1567802 | CIF | C112 H182 Au22 Cl2 P2 S14 | P c a 21 | 33.411; 16.475; 54.849 90; 90; 90 | 30191.4 | Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters Nanoscale, 2022 |
| 1567803 | CIF | C34 H58 F6 N6 O6 S2 | P 1 21/c 1 | 9.4465; 20.428; 11.45 90; 112.936; 90 | 2034.9 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567804 | CIF | C32 H54 N6 | P -1 | 8.4164; 9.9098; 10.3761 101.12; 111.201; 93.802 | 782.89 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567805 | CIF | C35 H56 F9 N6 O9 S3 | I 1 2/a 1 | 11.2729; 20.2466; 19.5699 90; 92.742; 90 | 4461.5 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567806 | CIF | C36 H56 F12 N6 O12 S4 | P 1 21/n 1 | 12.7027; 13.3266; 14.3241 90; 93.044; 90 | 2421.42 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567807 | CIF | C32 H56 N6 | P 1 21/n 1 | 7.9568; 18.1921; 11.2323 90; 107.697; 90 | 1548.94 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567808 | CIF | C42 H72 F6 N6 O8 S2 | P 1 21/c 1 | 10.2368; 11.7148; 20.4531 90; 92.856; 90 | 2449.73 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567809 | CIF | C33 H56 N6 | P -1 | 8.4; 10.3658; 20.0368 78.183; 79.823; 82.783 | 1673.56 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567810 | CIF | C33 H58 N6 | P 1 21/c 1 | 11.5251; 28.9745; 11.6064 90; 119.306; 90 | 3379.7 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567811 | CIF | C38 H64 F6 N6 O6 S2 | P 1 21/c 1 | 9.1161; 46.1464; 11.2799 90; 105.642; 90 | 4569.4 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567812 | CIF | C35 H60 F6 N6 O6 S2 | P 1 21/c 1 | 16.4086; 22.9375; 11.3222 90; 97.679; 90 | 4223.1 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567813 | CIF | C40 H82 F12 N6 O22 S4 | P -1 | 11.1305; 11.429; 13.722 92.322; 99.653; 113.256 | 1570.03 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567814 | CIF | C41 H65 F9 N7 O9 S3 | P 1 21/n 1 | 13.7065; 11.8374; 32.3229 90; 91.669; 90 | 5242.1 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567815 | CIF | C42 H68 F6 N8 O6 S2 | P n a 21 | 27.5528; 8.4292; 22.0477 90; 90; 90 | 5120.5 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567816 | CIF | C37 H59 F12 N6 O12.5 S4 | P 1 21/c 1 | 14.521; 11.291; 30.821 90; 93.8; 90 | 5042.2 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
| 1567817 | CIF | C25 H19 N O | P 1 21 1 | 8.5649; 10.4376; 9.9968 90; 98.418; 90 | 884.06 | Gu, Xiaodong; Liu, Kexin; Yang, Limin; Xie, Chengyi; Li, Mingliang; Wang, Jun (Joelle) Nickel-catalyzed enantioselective α-heteroarylation of ketones via C–F bond activation to construct all-carbon quaternary stereocenters Chemical Science, 2022, 13, 12498-12502 |
| 1567818 | CIF | C30 H32 Mn N2 S4 | P -1 | 11.3144; 11.4859; 12.22 88.259; 81.481; 65.401 | 1427.1 | Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation Chemical Science, 2022, 13, 12550-12559 |
| 1567819 | CIF | C44 H47 Mn N4 O S4 | P 1 21/n 1 | 13.8594; 19.0914; 16.2268 90; 103; 90 | 4183.5 | Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation Chemical Science, 2022, 13, 12550-12559 |
| 1567820 | CIF | C10 H11 Au Br N3 | P -1 | 6.0635; 9.6309; 11.032 101.765; 104.967; 97.601 | 597.54 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567821 | CIF | C25 H31 Au Br Cl Ir N5 | P 1 21/c 1 | 9.6523; 25.471; 11.1422 90; 104.835; 90 | 2648 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567822 | CIF | C20 H23 Br3 N6 Pd | C 1 2/c 1 | 19.5; 11.2281; 23.8483 90; 96.656; 90 | 5186.3 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567823 | CIF | C25 H27 Br4 N7 Pd2 | P 1 21/n 1 | 13.8366; 12.6469; 17.6415 90; 103.832; 90 | 2997.56 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567824 | CIF | C15 H16 Br2 N4 Pd | P 1 21/c 1 | 17.706; 6.2505; 15.812 90; 98.771; 90 | 1729.5 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567825 | CIF | C15 H21 Br2 N5 O | P 1 21/n 1 | 7.7483; 23.2239; 10.301 90; 102.974; 90 | 1806.3 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567826 | CIF | C20 H22 Au Br2.59 Cl0.41 N6 Pd | P -1 | 8.2856; 12.0023; 12.6741 83.517; 83.226; 88.824 | 1243.56 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567827 | CIF | C30 H36 Br3 Ir N6 Pd | C 1 2/c 1 | 25.915; 20.09; 15.4825 90; 115.662; 90 | 7265.6 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567828 | CIF | C50 H66 I4 Ir2 N10 O | P -1 | 10.1579; 12.7784; 22.2614 95.693; 98.958; 94.414 | 2827.66 | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand Chemical Science, 2022 |
| 1567829 | CIF | C26 H35 N O3 S2 Si | P 31 | 18.235; 18.235; 7.1321 90; 90; 120 | 2053.8 | Sharma, Himangshu; Mondal, Joyanta Mr.; Ghosh, Ananyo K. Mr.; Pal, Ritesh Ranjan Dr.; Goswami, Rajib Kumar Total Synthesis of Antibacterial Polyketide Natural Product Thailandamide Lactone Chemical Science, 2022 |
| 1567830 | CIF | C28 H30 O4 | P 41 21 2 | 9.6794; 9.6794; 49.548 90; 90; 90 | 4642.2 | Sharma, Himangshu; Mondal, Joyanta Mr.; Ghosh, Ananyo K. Mr.; Pal, Ritesh Ranjan Dr.; Goswami, Rajib Kumar Total Synthesis of Antibacterial Polyketide Natural Product Thailandamide Lactone Chemical Science, 2022 |
| 1567832 | CIF | C28 H33 N2 O | P -1 | 6.2055; 11.319; 32.886 89.884; 85.258; 89.848 | 2302 | He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles. Chemical science, 2022, 13, 12769-12775 |
| 1567833 | CIF | C25 H19 N O2 | R -3 :H | 32.848; 32.848; 10.842 90; 90; 120 | 10131 | He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles. Chemical science, 2022, 13, 12769-12775 |
| 1567834 | CIF | C24 H19 N O2 | P 1 21/c 1 | 9.4143; 14.69; 13.927 90; 106.73; 90 | 1844.5 | He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles. Chemical science, 2022, 13, 12769-12775 |
| 1567835 | CIF | C21 H27 N3 O6 | P -1 | 9.497; 14.1349; 16.2663 77.872; 89.269; 87.51 | 2132.8 | Cai, Bao-Gui; Bao, Ye-Peng; Pei, Chao; Li, Qian; Li, Lei; Koenigs, Rene M.; Xuan, Jun Photochemical synthesis of 1,2,4-triazoles <i>via</i> addition reaction of triplet intermediates to diazoalkanes and azomethine ylide intermediates. Chemical science, 2022, 13, 13141-13146 |
| 1567836 | CIF | C124 H56 Lu3 N5 Ni | C 1 2/m 1 | 25.1131; 15.0135; 19.6714 90; 93.887; 90 | 7399.8 | Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation Nanoscale, 2022 |
| 1567837 | CIF | C124 H53 Lu3 N5 Ni S2 | C 1 2/m 1 | 26.44; 16.808; 17.861 90; 107.97; 90 | 7550 | Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation Nanoscale, 2022 |
| 1567838 | CIF | C123 H53 Lu3 N5 Ni | C 1 2 1 | 25.313; 15.0309; 19.673 90; 95.136; 90 | 7455.1 | Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation Nanoscale, 2022 |
| 1567839 | CIF | C8 H16 Co2 O20 P4 | P 1 21/n 1 | 6.8699; 19.185; 8.392 90; 105.318; 90 | 1066.76 | Yan, Chong-Chong; Tang, Si-Fu Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions Catalysis Science & Technology, 2022, 12, 7417-7426 |
| 1567840 | CIF | C8 H40 Ni3 O30 P4 | P 1 21/c 1 | 10.6044; 10.3561; 13.9206 90; 97.323; 90 | 1516.29 | Yan, Chong-Chong; Tang, Si-Fu Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions Catalysis Science & Technology, 2022, 12, 7417-7426 |
| 1567841 | CIF | C34 H48 F6 N6 O3 | P -1 | 13.5304; 14.4783; 19.2467 86.952; 73.821; 84.391 | 3602.39 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567842 | CIF | C31 H42 F6 N6 O3 | P -1 | 14.5044; 14.9547; 17.2099 101.789; 111.249; 97.465 | 3319.6 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567843 | CIF | C22 H24 F6 N4 O2 | R -3 :H | 31.7595; 31.7595; 24.6991 90; 90; 120 | 21575.4 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567844 | CIF | C32 H36 F6 N6 O3 | P -1 | 14.5061; 15.7206; 17.2781 92.442; 113.7; 112.853 | 3231.16 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567845 | CIF | C31 H27 Cl3 F12 N6 O4 | P -1 | 11.948; 12.5972; 12.9273 80.719; 76.811; 73.555 | 1807.12 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567846 | CIF | C34 H32 F6 N6 O3 | C 1 2/c 1 | 18.98; 20.3627; 16.4981 90; 92.891; 90 | 6368.1 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567847 | CIF | C29 H32 F12 N6 O3 | P -1 | 10.953; 12.2425; 12.9211 69.381; 84.162; 85.716 | 1611.81 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567848 | CIF | C29 H32 Cl3 F3 N6 O3 | P 1 21/n 1 | 11.9677; 20.0581; 14.2211 90; 111.923; 90 | 3166.9 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567849 | CIF | C23 H26 F6 N4 O2 | P 1 21/n 1 | 18.0463; 21.9267; 18.6546 90; 105.361; 90 | 7117.8 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567850 | CIF | C43 H48 N10 O5 | P 1 21/c 1 | 12.8818; 7.7413; 40.5948 90; 98.052; 90 | 4008.28 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567851 | CIF | C54 H56 F12 N12 O8 | P -1 | 11.6563; 15.0421; 17.5808 71.522; 75.149; 81.278 | 2817.6 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567852 | CIF | C29 H30 F6 N6 O3 | P 1 21/c 1 | 10.273; 19.1589; 15.2648 90; 101.038; 90 | 2948.83 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567853 | CIF | C27 H42 F6 N6 O3 | P -1 | 10.2341; 13.105; 24.026 104.669; 93.989; 99.942 | 3048.7 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567854 | CIF | C34 H42 F12 N8 O4 | P 1 21/c 1 | 16.746; 15.9603; 22.0769 90; 95.262; 90 | 5875.7 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567855 | CIF | C28 H34 N6 O3 | P 1 21/n 1 | 5.9061; 28.6533; 15.5357 90; 92.006; 90 | 2627.48 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567856 | CIF | C40 H38 F12 N8 O6 | P b c n | 13.8062; 16.5341; 18.0269 90; 90; 90 | 4115.1 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567857 | CIF | C17 H22 F6 N4 O2 | P 1 21/n 1 | 11.6426; 11.0107; 16.803 90; 108.437; 90 | 2043.47 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567858 | CIF | C20 H20 F6 N4 O2 | P 1 21/c 1 | 13.7401; 14.0361; 11.5499 90; 113.558; 90 | 2041.8 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567859 | CIF | C25.22 H23 F6 N4.11 O2 | R -3 :H | 31.6255; 31.6255; 12.2942 90; 90; 120 | 10648.9 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567860 | CIF | C42 H47.5 F6 N6 O5 | P -1 | 9.9573; 19.5693; 20.9138 84.902; 89.962; 87.554 | 4055.4 | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery Chemical Science, 2022 |
| 1567861 | CIF | C31 H37 N3 O6 | P 1 | 9.2497; 9.6644; 32.938 90.062; 92.44; 104.738 | 2844.7 | Misra, Rajkumar; Netti, Francesca; Koren, Gil; Dan, Yoav; Chakraborty, Priyadarshi; Cohen, Sidney R.; Shimon, Linda J. W.; Beck, Roy; Adler-Abramovich, Lihi An atomistic view of rigid crystalline supramolecular polymers derived from short amphiphilic, α,β hybrid peptide Polymer Chemistry, 2022, 13, 6223-6228 |
| 1567862 | CIF Paper | C23 H18 Fe2 S3 | P 1 21/c 1 | 11.0149; 14.0459; 13.3983 90; 109.205; 90 | 1957.5 | Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Nuñez-Gordillo, Amairany; Klimova, Elena I. 4,5-Diferrocenyl-1,2-dithiole-3-thione IUCrData, 2022, 7, x221011 |
| 1567863 | CIF Paper | C28 H22 F N3 O S | P 1 21/c 1 | 10.7859; 14.5638; 14.9956 90; 97.144; 90 | 2337.3 | Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J. 5-(4-Fluorophenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole IUCrData, 2022, 7, x221003 |
| 1567864 | CIF | C45 H41 N5 O6 | P -1 | 9.7228; 12.0523; 16.1605 74.238; 88.581; 86.213 | 1818.49 | Xiao, Xiao; Kurganskii, Ivan; Maity, Partha; Zhao, Jianzhang; Jiang, Xiao; Mohammed, Omar F.; Fedin, Matvey V. Long-lived Charge-Separated State of Spiro Compact Electron Donor-Acceptor Dyads Based on Rhodamine and Naphthalenediimide Chromophores Chemical Science, 2022 |
| 1567873 | CIF | C18 H25 Cl N2 O | P 1 21/c 1 | 6.0121; 24.3678; 11.421 90; 94.695; 90 | 1667.58 | McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W. A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits Chemical Science, 2022 |
| 1567874 | CIF | C13 H14 F3 N O3 | P 21 21 21 | 5.36257; 8.48172; 27.61854 90; 90; 90 | 1256.2 | McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W. A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits Chemical Science, 2022 |
| 1567875 | CIF | C22 H27 Cl F6 N2 O5 | P -1 | 9.125; 10.278; 13.8974 77.831; 85.183; 67.565 | 1177.66 | McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W. A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits Chemical Science, 2022 |
| 1567876 | CIF | C20 H26 Cl F3 N2 O3 | P 1 21 1 | 10.5188; 8.8474; 11.0858 90; 95.456; 90 | 1027.02 | McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W. A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits Chemical Science, 2022 |
| 1567877 | CIF | C52 H52 Ni P4 | P -1 | 10.507; 13.045; 16.585 81.696; 80.885; 84.254 | 2214 | Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C. Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst. Chemical science, 2022, 13, 12906-12912 |
| 1567878 | CIF | C26 H26 Cl2 Ni P2 | P 1 21/n 1 | 9.345; 15.097; 9.749 90; 113.171; 90 | 1264.5 | Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C. Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst. Chemical science, 2022, 13, 12906-12912 |
| 1567879 | CIF | C9 H29 Br7 N4 Pb2 | P n m a | 8.3299; 37.549; 8.4639 90; 90; 90 | 2647.3 | Liu, Yi; Xu, Haojie; Liu, Xitao; Han, Shiguo; Guo, Wuqian; Ma, Yu; Fan, Qingshun; Hu, Xinxin; Sun, Zhihua; Luo, Junhua Room-temperature antiferroelectric in hybrid perovskite enables highly-efficient energy storage at low electric fields Chemical Science, 2022 |
| 1567880 | CIF | C9 H29 Br7 N4 Pb2 | I 4/m m m | 5.9841; 5.9841; 38.4072 90; 90; 90 | 1375.34 | Liu, Yi; Xu, Haojie; Liu, Xitao; Han, Shiguo; Guo, Wuqian; Ma, Yu; Fan, Qingshun; Hu, Xinxin; Sun, Zhihua; Luo, Junhua Room-temperature antiferroelectric in hybrid perovskite enables highly-efficient energy storage at low electric fields Chemical Science, 2022 |
| 1567881 | CIF Paper | C6 H8 Cl N O | P 1 21/c 1 | 7.161; 26.271; 7.7474 90; 95.495; 90 | 1450.8 | Saini, Aarti; Dhanwant, Kisturi; Thirumoorthi, Ramalingam 1-Hydroxy-4-methylpyridinium chloride IUCrData, 2022, 7, x221023 |
| 1567882 | CIF | C87 H48 O32 U4 | P -4 3 m | 20.902; 20.902; 20.902 90; 90; 90 | 9131.95 | Hanna, Sylvia L.; Debela, Tekalign T.; Mroz, Austin M.; Syed, Zoha H.; Kirlikovali, Kent O.; Hendon, Christopher H.; Farha, Omar K. Identification of a metastable uranium metal-organic framework isomer through non-equilibrium synthesis. Chemical science, 2022, 13, 13032-13039 |
| 1567883 | CIF | C81 H76 B2 Cl2 Dy N7 O | P -1 | 12.7371; 14.2679; 22.1844 101.261; 93.525; 116.025 | 3503.18 | Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets. Chemical science, 2022, 13, 13231-13240 |
| 1567884 | CIF | C86 H78 B2 Cl2 Dy N7 O | P -1 | 14.0388; 14.481; 21.4518 91.27; 97.279; 111.868 | 4003.23 | Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets. Chemical science, 2022, 13, 13231-13240 |
| 1567885 | CIF | C79 H71 B2 Cl Dy N7 | P 1 21/c 1 | 23.6641; 14.1103; 21.3612 90; 96.266; 90 | 7090.1 | Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets. Chemical science, 2022, 13, 13231-13240 |
| 1567886 | CIF Paper | C26 H30 N6 O4 S | P 1 21/n 1 | 10.4177; 11.7104; 21.5388 90; 99.964; 90 | 2588 | Mohamed-Ezzat, Reham A.; Kariuki, Benson M.; Azzam, Rasha A. Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide IUCrData, 2022, 7, x221033 |
| 1567887 | CIF | C18 H16 N2 O6 | P 1 21 1 | 5.6781; 9.773; 15.2351 90; 92.831; 90 | 844.4 | Guo, Jia; Ma, Hao-Ran; Xiong, Wen-Bin; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang Iridium-Catalyzed Enantioselective Alkynylation and Kinetic Resolution of Alkyl Allylic Alcohols Chemical Science, 2022 |
| 1567894 | CIF | C52 H40 B2 N2 | C 1 2/c 1 | 26.1224; 8.3077; 18.9832 90; 106.476; 90 | 3950.5 | Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer. Chemical science, 2022, 13, 12996-13005 |
| 1567895 | CIF | C60 H56 B2 N2 | P 1 21/c 1 | 27.7304; 9.0103; 18.61 90; 98.171; 90 | 4602.7 | Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer. Chemical science, 2022, 13, 12996-13005 |
| 1567896 | CIF | C68 H72 B2 N2 | P -1 | 9.5981; 11.916; 25.0597 85.521; 89.469; 89.876 | 2857.2 | Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer. Chemical science, 2022, 13, 12996-13005 |
| 1567897 | CIF | C30 H21 N O2 | P 1 21/n 1 | 13.4932; 9.8466; 17.378 90; 102.184; 90 | 2256.9 | He, Xinwei; Li, Ruxue; Choy, Pui Ying; Duan, Jiahui; Yin, Zhenzhen; Xu, Keke; Tang, Qiang; Zhong, RongLin; Shang, Yongjia; Kwong, Fuk Yee An expeditious FeCl3-catalyzed cascade 1,4-conjugate addition/annulation/1,5-H shift sequence for modular access of all-pyrano-moiety-substituted chromenes Chemical Science, 2022 |
| 1567898 | CIF | C28 H20 F N O2 | P -1 | 9.5747; 9.6132; 12.847 101.581; 95.065; 111.403 | 1061.5 | He, Xinwei; Li, Ruxue; Choy, Pui Ying; Duan, Jiahui; Yin, Zhenzhen; Xu, Keke; Tang, Qiang; Zhong, RongLin; Shang, Yongjia; Kwong, Fuk Yee An expeditious FeCl3-catalyzed cascade 1,4-conjugate addition/annulation/1,5-H shift sequence for modular access of all-pyrano-moiety-substituted chromenes Chemical Science, 2022 |
| 1567899 | CIF | C30 H23 N O2 | P -1 | 4.8767; 9.4727; 24.3972 89.426; 89.496; 77.542 | 1100.42 | He, Xinwei; Li, Ruxue; Choy, Pui Ying; Duan, Jiahui; Yin, Zhenzhen; Xu, Keke; Tang, Qiang; Zhong, RongLin; Shang, Yongjia; Kwong, Fuk Yee An expeditious FeCl3-catalyzed cascade 1,4-conjugate addition/annulation/1,5-H shift sequence for modular access of all-pyrano-moiety-substituted chromenes Chemical Science, 2022 |
| 1567900 | CIF | C16 H21 Br Mn N4 O2 P | P b c a | 9.1016; 14.4759; 28.6257 90; 90; 90 | 3771.5 | Shabade, Anand B.; Sharma, Dipesh M.; Bajpai, Priyam; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by well-defined mixed donor Mn(I) pincer catalyst Chemical Science, 2022 |
| 1567901 | CIF | C132 H56 N4 Ni Th | C 1 2/m 1 | 25.3169; 15.0051; 19.9071 90; 94.325; 90 | 7540.8 | Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes. Chemical science, 2022, 13, 12980-12986 |
| 1567902 | CIF | C132 H56 N4 Ni Th | C 1 2/m 1 | 25.261; 14.9722; 19.9879 90; 94.646; 90 | 7534.8 | Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes. Chemical science, 2022, 13, 12980-12986 |
| 1567903 | CIF Paper | C63 H49 B2 F30 N4 O2 | P -1 | 10.4436; 17.3961; 17.8229 79.729; 77.923; 83.103 | 3104.1 | Butcher, Ray J.; Purdy, Andrew P. 2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate IUCrData, 2022, 7, x221049 |
| 1567904 | CIF | C12 H40 F18 Fe4 N6 O2 | P 1 2/c 1 | 16.9178; 13.6023; 12.8848 90; 108.53; 90 | 2811.3 | Li, Teng; Lightfoot, Philip Layered Hybrid iron Fluorides Crystals, 2022, 12, 1443 |
| 1567905 | CIF | C4 H14 F5 Fe N2 O | P 1 21/n 1 | 11.4695; 5.8774; 13.609 90; 91.553; 90 | 917.06 | Li, Teng; Lightfoot, Philip Layered Hybrid iron Fluorides Crystals, 2022, 12, 1443 |
| 1567906 | CIF | C8 H26 F13 Fe3 N4 O | C 1 2/c 1 | 20.5365; 13.5405; 13.5727 90; 92.588; 90 | 3770.4 | Li, Teng; Lightfoot, Philip Layered Hybrid iron Fluorides Crystals, 2022, 12, 1443 |
| 1567907 | CIF | C21 H19 Br2 N3 Ni | C 1 2/c 1 | 15.9809; 8.5994; 15.5441 90; 102.998; 90 | 2081.43 | Norouziyanlakvan, Somayeh; Ferguson, Jonathan; Richeson, Darrin Electrocatalytic hydrogen production from neutral water using an aqueous Ni(ii) pincer complex Catalysis Science & Technology, 2022, 12, 7494-7500 |
| 1567908 | CIF | C64 H64.5 Cl N10 Ni2 O4.75 | P -1 | 13.555; 15.389; 17.007 77.732; 70.231; 81.83 | 3252.8 | Nikovskiy, Igor A.; Karnaukh, Kseniia M.; Aleshin, Dmitry Yu.; Spiridonov, Kirill A.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Polezhaev, Alexander V.; Novikov, Valentin V. Binuclear Nickel Complexes of a New Di(hydroxyphenyl)imidazolate Magnetochemistry, 2022, 8, 132 |
| 1567909 | CIF | C70 H61 Cl N10 Ni2 O5 | P -1 | 12.2327; 13.0491; 20.7742 72.935; 77.21; 89.982 | 3084 | Nikovskiy, Igor A.; Karnaukh, Kseniia M.; Aleshin, Dmitry Yu.; Spiridonov, Kirill A.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Polezhaev, Alexander V.; Novikov, Valentin V. Binuclear Nickel Complexes of a New Di(hydroxyphenyl)imidazolate Magnetochemistry, 2022, 8, 132 |
| 1567910 | CIF | Al3.71 K0.842 Na2.868 O16 Si4.29 | P 63 | 10.002; 10.002; 8.3831 90; 90; 120 | 726.29 | Mikhailova, Julia A.; Aksenov, Sergey M.; Pakhomovsky, Yakov A.; Moine, Bertrand N.; Dusséaux, Camille; Vaitieva, Yulia A.; Voronin, Mikhail Iron in Nepheline: Crystal Chemical Features and Petrological Applications Minerals, 2022, 12, 1257 |
| 1567911 | CIF | Al3.585 K0.71 Na2.875 O16 Si4.415 | P 63 | 9.9965; 9.9965; 8.3796 90; 90; 120 | 725.19 | Mikhailova, Julia A.; Aksenov, Sergey M.; Pakhomovsky, Yakov A.; Moine, Bertrand N.; Dusséaux, Camille; Vaitieva, Yulia A.; Voronin, Mikhail Iron in Nepheline: Crystal Chemical Features and Petrological Applications Minerals, 2022, 12, 1257 |
| 1567912 | CIF | As2 Ba H2 O9 Zn2 | P 1 21 1 | 5.2957; 10.3964; 8.0451 90; 95.262; 90 | 441.07 | Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O Minerals, 2022, 12, 1262 |
| 1567913 | CIF | As2 Ba H2 O9 Zn2 | P 1 21 1 | 5.2854; 10.3919; 8.0394 90; 95.445; 90 | 439.57 | Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O Minerals, 2022, 12, 1262 |
| 1567914 | CIF | As2 Ba H2 O9 Zn2 | P 1 21 1 | 5.2918; 10.3948; 8.0425 90; 95.309; 90 | 440.5 | Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O Minerals, 2022, 12, 1262 |
| 1567915 | CIF | As2 Ba H2 O9 Zn2 | P 1 21 1 | 5.284; 10.3901; 8.0347 90; 95.359; 90 | 439.19 | Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O Minerals, 2022, 12, 1262 |
| 1567916 | CIF | As4 Ba2 O16 Zn4 | P 1 21/c 1 | 8.8073; 9.9861; 9.406 90; 91.471; 90 | 826.99 | Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O Minerals, 2022, 12, 1262 |
| 1567917 | CIF | As2 Ba H2 O9 Zn2 | P 1 21 1 | 5.2882; 10.394; 8.0395 90; 95.346; 90 | 439.97 | Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O Minerals, 2022, 12, 1262 |
| 1567918 | CIF | As2 Ba H2 O9 Zn2 | P 1 21 1 | 5.3037; 10.3959; 8.0483 90; 95.285; 90 | 441.87 | Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O Minerals, 2022, 12, 1262 |
| 1567919 | CIF | As2 Ba H2 O9 Zn2 | P 1 21 1 | 5.2986; 10.3948; 8.0462 90; 95.263; 90 | 441.3 | Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O Minerals, 2022, 12, 1262 |
| 1567920 | CIF | C37 H57 Ce O2 | P 1 21 1 | 10.4698; 12.0899; 13.9747 90; 107.666; 90 | 1685.48 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567921 | CIF | C36 H52 Ce2 Cl2 | P 1 21/n 1 | 8.5165; 10.4652; 19.4321 90; 92.032; 90 | 1730.83 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567922 | CIF | C29 H41 Ce O | P 1 21/c 1 | 16.2557; 8.829; 18.3743 90; 105.141; 90 | 2545.56 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567923 | CIF | C92 H142 Mg2 N8 O4 | P -1 | 13.9176; 17.014; 19.2571 99.074; 98.357; 91.475 | 4449.56 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567924 | CIF | C45 H63 La N2 O | P 1 21/c 1 | 13.3005; 22.0278; 15.6348 90; 113.567; 90 | 4198.63 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567925 | CIF | C23 H34 Ce F3 O4 S | I 1 a 1 | 17.5622; 9.4099; 16.2878 90; 108.821; 90 | 2547.78 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567926 | CIF | C38 H55 Ce N2 O | P 1 21/n 1 | 10.6673; 17.4641; 19.304 90; 89.907; 90 | 3596.23 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567927 | CIF | C57.5 H76 Mg2 N4 O2 | P 1 21/n 1 | 13.1713; 18.0503; 23.2076 90; 104.996; 90 | 5329.61 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567928 | CIF | C45 H63 N2 Nd O | P 1 21/c 1 | 13.1816; 22.105; 15.5529 90; 112.938; 90 | 4173.45 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567929 | CIF | C44 H68 Cl2 La2 O2 | P 1 21/n 1 | 11.376; 15.398; 12.4103 90; 91.155; 90 | 2173.44 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567930 | CIF | C33 H49 Ce O | P -1 | 9.6336; 10.0767; 16.3047 93.243; 90.396; 107.678 | 1505.14 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567931 | CIF | C38 H55 N2 O Sm | P 1 21/n 1 | 10.6869; 17.26346; 19.16251 90; 90.4636; 90 | 3535.23 | Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity Chemical Science, 2022 |
| 1567932 | CIF Paper | C29 H25 N3 O3 S | P 1 21/n 1 | 13.9677; 9.7997; 18.4125 90; 92.98; 90 | 2516.9 | Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J. 5-(4-Methoxyphenyl)-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole IUCrData, 2022, 7, x221047 |
| 1567933 | CIF Paper | C38 H34 Ag N O3 P2 | C 1 2/c 1 | 18.129; 11.0936; 17.9971 90; 104.849; 90 | 3498.6 | Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout Bis[(4-methylphenyl)diphenylphosphane-κ<i>P</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I) IUCrData, 2022, 7, x221045 |
| 1567935 | CIF | C3 H12 Cl N2 Na3 O21 Rb6 | P 63/m c m | 9.5732; 9.5732; 15.8202 90; 90; 120 | 1255.62 | Cheng, Meng; Jin, Wenqi; Yang, Zhihua; Pan, Shilie Large optical anisotropy-oriented construction of a carbonate-nitrate chloride compound as a potential ultraviolet birefringent material Chemical Science, 2022 |
| 1567936 | CIF | C55 H112 Fe K2 N3 O13 Si6 | P -1 | 10.7165; 17.976; 19.6298 80.478; 84.376; 84.004 | 3696.4 | Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar Taming the Stilbene Radical Anion Chemical Science, 2022 |
| 1567937 | CIF | C33 H70 Fe K N2 O6 Si4 | P 1 21/c 1 | 12.1227; 18.3502; 21.0291 90; 104.641; 90 | 4526.1 | Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar Taming the Stilbene Radical Anion Chemical Science, 2022 |
| 1567938 | CIF | C40 H77 Fe K N2 O6.5 Si4 | C 1 2/c 1 | 37.3486; 13.2014; 27.113 90; 130.575; 90 | 10153.9 | Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar Taming the Stilbene Radical Anion Chemical Science, 2022 |
| 1567939 | CIF | C98 H213 Fe2 K3 N6 O24 Si12 | P 1 21/n 1 | 16.0976; 15.8981; 26.7651 90; 93.037; 90 | 6840.1 | Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar Taming the Stilbene Radical Anion Chemical Science, 2022 |
| 1567942 | CIF | C21 H20 O4 | P 1 21/n 1 | 11.3302; 9.304; 15.2511 90; 92.039; 90 | 1606.69 | Hernandez, Jackson; Frontier, Alison Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems Chemical Science, 2022 |
| 1567943 | CIF | C22 H22 O3 | P 1 21/c 1 | 11.1121; 14.4482; 11.0686 90; 100.581; 90 | 1746.85 | Hernandez, Jackson; Frontier, Alison Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems Chemical Science, 2022 |
| 1567944 | CIF | C21 H22 O3 | P n a 21 | 14.1132; 19.7985; 5.9243 90; 90; 90 | 1655.37 | Hernandez, Jackson; Frontier, Alison Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems Chemical Science, 2022 |
| 1567945 | CIF | C22 H22 O3 | P 1 21/n 1 | 17.2159; 10.1372; 20.2267 90; 110.546; 90 | 3305.44 | Hernandez, Jackson; Frontier, Alison Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems Chemical Science, 2022 |
| 1567946 | CIF | C31 H29 N O3 | P 1 21/n 1 | 15.9276; 5.55609; 27.3254 90; 98.7546; 90 | 2389.99 | Hernandez, Jackson; Frontier, Alison Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems Chemical Science, 2022 |
| 1567947 | CIF | C22 H19 Br O2 | P -1 | 7.1424; 9.2977; 13.9152 93.729; 99.197; 107.703 | 862.63 | Hernandez, Jackson; Frontier, Alison Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems Chemical Science, 2022 |
| 1567948 | CIF | C27 H27 N O3 S | P 1 c 1 | 12.1762; 11.5704; 7.9829 90; 94.522; 90 | 1121.16 | Hernandez, Jackson; Frontier, Alison Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems Chemical Science, 2022 |
| 1567949 | CIF | C65 H84 N2 O2 U | P -1 | 11.5747; 12.723; 20.5456 80.883; 79.267; 84.493 | 2928.3 | Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F. Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity Chemical Science, 2022 |
| 1567950 | CIF | C82 H81 B F20 N2 O Si U | P c a 21 | 26.661; 15.845; 19.116 90; 90; 90 | 8075 | Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F. Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity Chemical Science, 2022 |
| 1567951 | CIF | C93 H91 B F20 N2 O Si U | P -1 | 13.916; 17.437; 19.155 95.996; 111.194; 95.687 | 4262.7 | Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F. Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity Chemical Science, 2022 |
| 1567952 | CIF | C87 H83 B F22 N2 O Si U | P c a 21 | 26.5251; 15.7375; 18.8824 90; 90; 90 | 7882.2 | Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F. Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity Chemical Science, 2022 |
| 1567953 | CIF | C45 H77 Br O1.5 P2 Pd | P -1 | 11.8295; 15.3397; 15.9371 115.76; 106.946; 97.999 | 2369.9 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567954 | CIF | C38 H63 Cl5 P2 Pd | P 21 21 21 | 12.62782; 17.78901; 18.10483 90; 90; 90 | 4067 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567955 | CIF | C33 H61 Cl5 P2 Pd | P 1 21/c 1 | 9.8304; 16.8108; 24.1396 90; 93.664; 90 | 3981.08 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567956 | CIF | C28 H55 Cl3 P2 Pd | P 1 21/c 1 | 17.0122; 14.9105; 18.1097 90; 109.673; 90 | 4325.6 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567957 | CIF | C32 H58 Br2 P2 Pd | P 1 21/c 1 | 10.5375; 17.5174; 18.2109 90; 92.938; 90 | 3357.12 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567958 | CIF | C32 H58 Cl2 P2 Pd | P 1 21/c 1 | 9.844; 16.99413; 19.4275 90; 98.2226; 90 | 3216.62 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567959 | CIF | C32 H58 I2 P2 Pd | P 1 21/c 1 | 10.5861; 17.7689; 18.6428 90; 92.164; 90 | 3504.27 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567960 | CIF | C42 H71 Cl3 O P2 Pd | P 1 21/c 1 | 22.1819; 9.9664; 20.8757 90; 94.071; 90 | 4603.4 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567961 | CIF | C38 H62 Cl2 P2 Pd | P 1 21/c 1 | 12.8401; 15.1413; 20.398 90; 106.091; 90 | 3810.33 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567962 | CIF | C37 H60 Cl2 P2 Pd | C 1 c 1 | 19.1244; 10.5054; 17.9999 90; 94.926; 90 | 3602.99 | Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H. Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions Chemical Science, 2022 |
| 1567963 | CIF | C154.4 H88.4 Cl1.2 N2 | P 21 21 21 | 16.6132; 18.7606; 32.1149 90; 90; 90 | 10009.4 | Deng, Han; Guo, Zilong; Wang, Yaxin; Li, Ke; Zhou, Qin; Ge, Chang; Xu, Zhanqiang; Sato, Sota; Ma, Xiaonan; Sun, Zhe Modular Synthesis, Host-Guest Complexation and Solvation-Controlled Relaxation of Nanohoops with Donor-Acceptor Structures Chemical Science, 2022 |
| 1567964 | CIF | C21 H20 Br P | P 1 21/c 1 | 10.8668; 9.9356; 17.4186 90; 105.376; 90 | 1813.3 | Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides Polymer Chemistry, 2022, 13, 6551-6563 |
| 1567965 | CIF | C22 H22 Br P | P 1 21/c 1 | 11.3364; 10.3332; 18.1348 90; 104.699; 90 | 2054.8 | Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides Polymer Chemistry, 2022, 13, 6551-6563 |
| 1567966 | CIF | C17 H19 F2 N O | I 1 a 1 | 9.6781; 11.1154; 14.2033 90; 103.627; 90 | 1484.92 | Yakubov, Shahboz; Stockerl, Willibald J.; Tian, Xianhai; Shahin, Ahmed; Mandigma, Mark John P.; Gschwind, Ruth M.; Barham, Joshua P. Benzoates as photosensitization catalysts and auxiliaries in efficient, practical, light-powered direct C(sp3)–H fluorinations Chemical Science, 2022 |
| 1567967 | CIF | C25 H35.086 F0.914 O5 | P 1 21 1 | 10.4636; 6.90652; 16.1323 90; 108.458; 90 | 1105.86 | Yakubov, Shahboz; Stockerl, Willibald J.; Tian, Xianhai; Shahin, Ahmed; Mandigma, Mark John P.; Gschwind, Ruth M.; Barham, Joshua P. Benzoates as photosensitization catalysts and auxiliaries in efficient, practical, light-powered direct C(sp3)–H fluorinations Chemical Science, 2022 |
| 1567968 | CIF | C22.4 H17 Cl0.6 F6 N2.4 Pt S0.4 | P 42/n :2 | 21.2092; 21.2092; 9.3816 90; 90; 90 | 4220.1 | Salthouse, Rebecca J.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth Near-infrared electroluminescence beyond 940 nm in Pt(N^C^N)X complexes: influencing aggregation with the ancillary ligand X Chemical Science, 2022 |
| 1567969 | CIF | C18 H17 I N4 Pt | P 1 21/m 1 | 10.8783; 6.7723; 12.3368 90; 108.519; 90 | 861.8 | Salthouse, Rebecca J.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth Near-infrared electroluminescence beyond 940 nm in Pt(N^C^N)X complexes: influencing aggregation with the ancillary ligand X Chemical Science, 2022 |
| 1567970 | CIF | C38 H24 N4 O V | P 1 21/c 1 | 18.9568; 8.083; 19.9282 90; 114.25; 90 | 2784.1 | Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing. Chemical science, 2022, 14, 61-69 |
| 1567971 | CIF | C19 H11.5 N2 O0.5 V0.5 | C c c 2 | 20.8648; 27.1717; 11.4881 90; 90; 90 | 6513 | Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing. Chemical science, 2022, 14, 61-69 |
| 1567972 | CIF | C97 H46 N8 O2 V2 | C 1 2/c 1 | 29.2955; 11.3883; 22.5512 90; 96.942; 90 | 7468.5 | Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing. Chemical science, 2022, 14, 61-69 |
| 1567973 | CIF | C22 H17 Cl2 F O4 | P 1 21/c 1 | 16.218; 10.98; 11.7185 90; 107.344; 90 | 1991.9 | Li, Hongyi; Yin, Chang; Liu, Sien; Tu, Hua; Lin, Ping; Chen, Jing; Su, Weiping Multiple remote C(sp3)–H functionalizations of aliphatic ketones via bimetallic Cu–Pd catalyzed successive dehydrogenation Chemical Science, 2022 |
| 1567974 | CIF | C6 H10 Br Cu2 N3 | I 41/a :2 | 16.3337; 16.3337; 20.1543 90; 90; 90 | 5376.96 | Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds Nanoscale, 2022 |
| 1567975 | CIF | C8 H14 Br Cu2 N3 | I 41/a :2 | 16.5753; 16.5753; 19.196 90; 90; 90 | 5273.9 | Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds Nanoscale, 2022 |
| 1567976 | CIF | C8 H14 Cl Cu2 N3 | I 41/a :2 | 15.9814; 15.9814; 20.7345 90; 90; 90 | 5295.7 | Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds Nanoscale, 2022 |
| 1567977 | CIF | C6 H8 Cl Cu2 N3 | I 41/a :2 | 16.0496; 16.0496; 20.19 90; 90; 90 | 5200.7 | Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds Nanoscale, 2022 |
| 1567978 | CIF | C36 H72 P2 | P -1 | 9.2062; 9.321; 25.5135 85.783; 82.881; 60.977 | 1899.43 | Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A. Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out Chemical Science, 2022 |
| 1567979 | CIF | C42 H84 P2 | R -3 c :H | 9.1903; 9.1903; 89.58 90; 90; 120 | 6552 | Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A. Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out Chemical Science, 2022 |
| 1567980 | CIF | C54 H108 P2 | C 1 2/c 1 | 45.099; 12.6445; 9.399 90; 96.694; 90 | 5323.3 | Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A. Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out Chemical Science, 2022 |
| 1567981 | CIF | C54 H114 B2 P2 | P -1 | 9.0197; 26.5241; 35.839 81.639; 85.64; 87.03 | 8451.2 | Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A. Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out Chemical Science, 2022 |
| 1567982 | CIF | C20 H26 O2 | C 1 2/c 1 | 20.2191; 11.5724; 14.8457 90; 92.801; 90 | 3469.5 | Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids Chemical Science, 2022 |
| 1567983 | CIF | C20 H30 O3 | C 1 2/c 1 | 24.7444; 6.096; 22.996 90; 95.293; 90 | 3453.97 | Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids Chemical Science, 2022 |
| 1567984 | CIF | C22 H24 | P 61 | 17.4778; 17.4778; 9.964 90; 90; 120 | 2635.95 | Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids Chemical Science, 2022 |
| 1567985 | CIF | C265 H237 F18 Mo18 N29 O62 P8 S6 | C 1 2/c 1 | 28.6129; 15.7456; 64.158 90; 94.437; 90 | 28818.3 | Choudhari, Manjiri; Xu, Jingjing; McKay, Alasdair I.; Guerrin, Clément; Forsyth, Craig; Ma, Howard Z.; Goerigk, Lars; O'Hair, Richard A. J.; Bonnefont, Antoine; Ruhlmann, Laurent; Aloise, Stephane; Ritchie, Chris A photo-switchable molecular capsule: sequential photoinduced processes Chemical Science, 2022 |
| 1567986 | CIF | C8 H9 N5 O2 Zn | P 21 21 21 | 9.7893; 10.0252; 10.2988 90; 90; 90 | 1010.72 | Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies Chemical Science, 2022 |
| 1567987 | CIF | C5 H4 N4 | P -1 | 3.7561; 10.2354; 14.2732 97.137; 96.109; 92.497 | 540.49 | Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies Chemical Science, 2022 |
| 1567988 | CIF | C8 H9 N5 O2 Zn | P 21 21 21 | 9.7703; 9.9768; 10.6503 90; 90; 90 | 1038.15 | Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies Chemical Science, 2022 |
| 1567993 | CIF | C42 H33 Au2 Ni O2 P3 S | P -1 | 12.3838; 13.889; 14.7679 64.065; 80.669; 83.913 | 2252.3 | Tao, Cheng-Bo; Fan, Ji-Qiang; Fei, Wenwen; Zhao, Yan; Li, Man-Bo Structure and assembly of a hexanuclear AuNi bimetallic nanocluster. Nanoscale, 2022, 15, 109-113 |
| 1567994 | CIF | C40 H36 Ni O2 P2 S | P 1 21/c 1 | 39.25; 9.8991; 17.585 90; 92.559; 90 | 6825.7 | Tao, Cheng-Bo; Fan, Ji-Qiang; Fei, Wenwen; Zhao, Yan; Li, Man-Bo Structure and assembly of a hexanuclear AuNi bimetallic nanocluster. Nanoscale, 2022, 15, 109-113 |
| 1567996 | CIF | C42 H42 Cl6 Fe6 N6 O38 Pd3 | P m -3 n | 22.1165; 22.1165; 22.1165 90; 90; 90 | 10818.1 | Miguel-Casañ, Eugenia; Darawsheh, Mohanad D.; Fariña-Torres, Víctor; Vitórica-Yrezábal, Iñigo J; Andres-Garcia, Eduardo; Fañanás-Mastral, Martín; Mínguez Espallargas, Guillermo Heterometallic palladium-iron metal-organic framework as a highly active catalyst for cross-coupling reactions. Chemical science, 2022, 14, 179-185 |
| 1567997 | CIF | C2 H2 I2 O4 Pb Rb2 | A m m 2 | 6.0662; 6.7946; 13.7817 90; 90; 90 | 568.046 | Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy. Chemical science, 2022, 14, 136-142 |
| 1567998 | CIF | C2 H2 I2 K2 O4 Pb | A m m 2 | 5.8024; 6.774; 13.626 90; 90; 90 | 535.58 | Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy. Chemical science, 2022, 14, 136-142 |
| 1568012 | CIF | C25 H34 B N O4 | P 1 21/n 1 | 9.4689; 20.7919; 12.8601 90; 109.311; 90 | 2389.4 | Hirano, Koji; Nishino, Soshi; Nishii, Yuji anti-Selective synthesis of β-boryl-α-amino acid derivatives by Cu-catalysed borylamination of α,β-unsaturated esters Chemical Science, 2022 |
| 1568013 | CIF | C54 H46 Cl7 P2 Re | P -1 | 10.939; 13.109; 18.4122 85.943; 80.643; 72.033 | 2477.5 | Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen Synthesis and characterization of bi(metallacycloprop-1-ene) complexes. Chemical science, 2022, 14, 96-102 |
| 1568014 | CIF | C32 H36 Cl3 P2 Re | C 1 2/c 1 | 11.082; 18.4374; 15.6667 90; 107.276; 90 | 3056.66 | Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen Synthesis and characterization of bi(metallacycloprop-1-ene) complexes. Chemical science, 2022, 14, 96-102 |
| 1568015 | CIF | C42 H38 Cl3 P2 Re | P n a 21 | 23.4928; 11.58031; 13.76598 90; 90; 90 | 3745.09 | Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen Synthesis and characterization of bi(metallacycloprop-1-ene) complexes. Chemical science, 2022, 14, 96-102 |
| 1568019 | CIF | C75 H67 N11 O18 Y2 | P -1 | 11.8512; 16.2294; 19.309 78.447; 75.155; 89.692 | 3513 | Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs Chemical Science, 2022 |
| 1568020 | CIF | C30 H15 F2 N3 O6.62 Y1.5 | I 4/m | 17.7478; 17.7478; 25.9278 90; 90; 90 | 8166.85 | Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs Chemical Science, 2022 |
| 1568034 | CIF | C17 H16 B Br F4 N4 O | P 21 21 21 | 9.7229; 11.8712; 15.4592 90; 90; 90 | 1784.3 | Duan, Zhuan; Young, Claire M.; Zhu, Jiayun; Slawin, Alexandra M. Z.; O'Donoghue, AnnMarie C; Smith, Andrew D. Rate and equilibrium constants for the addition of triazolium salt derived N-heterocyclic carbenes to heteroaromatic aldehydes. Chemical science, 2022, 14, 162-170 |
| 1568035 | CIF | C44 H68 Br6 Mn5 O22 | P -1 | 10.965; 11.6978; 13.6443 111.74; 101.903; 90.098 | 1584.79 | Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst. Chemical science, 2022, 14, 54-60 |
| 1568036 | CIF | C13 H22 O2 Si | P b c a | 8.0671; 15.0932; 22.4852 90; 90; 90 | 2737.76 | Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst. Chemical science, 2022, 14, 54-60 |
| 1568037 | CIF | C16 H22 O3 Si2 | P 1 21/n 1 | 12.9559; 10.4977; 28.982 90; 95.735; 90 | 3922 | Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst. Chemical science, 2022, 14, 54-60 |
| 1568038 | CIF | C22 H12 F3 N | P 1 21/c 1 | 26.91; 6.4608; 9.318 90; 94.442; 90 | 1615.2 | Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe<sup>3+</sup> detection designed by a structure modulation strategy. Analytical methods : advancing methods and applications, 2022, 14, 5081-5090 |
| 1568039 | CIF | C22 H15 N | P 1 21/c 1 | 17.626; 7.6841; 11.574 90; 100.988; 90 | 1538.8 | Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe<sup>3+</sup> detection designed by a structure modulation strategy. Analytical methods : advancing methods and applications, 2022, 14, 5081-5090 |
| 1568040 | CIF | C156 H133.5 Cl4.5 F6 N13 O9 | P -1 | 15.6935; 17.9065; 25.3093 102.029; 94.298; 105.192 | 6649.5 | Mirabella, Chiara F. M.; Aragay, Gemma; Ballester, Pablo Influence of the solvent in the self-assembly and binding properties of [1 + 1] tetra-imine bis-calix[4]pyrrole cages. Chemical science, 2022, 14, 186-195 |
| 1568043 | CIF | C333 H398 Ag30 B3 Cl33 N4 P8 Pt S14 | P -1 | 21.6934; 23.8539; 34.402 96.755; 100.906; 100.248 | 16989.5 | Wang, Silan; Li, Qinzhen; Yang, Sha; Yu, Haizhu; Chai, Jinsong; Zhu, Manzhou H-bond-induced luminescence enhancement in a Pt<sub>1</sub>Ag<sub>30</sub> nanocluster and its application in methanol detection. Nanoscale, 2022, 14, 16647-16654 |
| 1568060 | CIF | C16 H15 F3 N6 O2 S | P 1 21/n 1 | 11.715; 7.738; 19.834 90; 95.723; 90 | 1789 | Hu, Wei; Zhang, Xiang; Liu, Yuanchang; Liu, Teng; Wen, Jiale; Peng, Xiaopeng; Xie, Xin; Chen, Weiming Two-stage one-pot synthetic strategy for the key triazone-triazole intermediate of ensitrelvir (S-217622), an oral clinical candidate for treating COVID-19 RSC Advances, 2022, 12, 34808-34814 |
| 1568074 | CIF | C66 H58 F16 S8 | P n a 21 | 34.3683; 28.4432; 5.4447 90; 90; 90 | 5322.44 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
| 1568075 | CIF | C56 H32 F16 O2 S8 | P -1 | 13.6071; 14.6029; 15.3344 97.914; 98.988; 110.147 | 2764.52 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
| 1568076 | CIF | C56 H32 F16 S8 | P -1 | 9.5286; 10.3554; 14.25 75.54; 89.177; 73.34 | 1301.9 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
| 1568077 | CIF | C54 H30 F16 N2 O2 S8 | P 42/n :2 | 19.8473; 19.8473; 13.1934 90; 90; 90 | 5197.08 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
| 1568078 | CIF | C49 H17 Cl3 F16 S8 | P -1 | 6.7916; 13.818; 15.064 78.57; 81.39; 82.79 | 1363.3 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
| 1568079 | CIF | C68 H36 F16 N4 S8 | P 1 21/c 1 | 5.89701; 32.2682; 16.4767 90; 95.0947; 90 | 3122.9 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
| 1568136 | CIF | Cu4 Na4.39 O Se4 | I 4/m | 11.232; 11.232; 4.0301 90; 90; 90 | 508.43 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568137 | CIF | Cu11.19 Na10.21 O2 Se10 | C 1 2/m 1 | 15.772; 4.0654; 20.828 90; 110.33; 90 | 1252.3 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568138 | CIF | Cu7.7 Na5.3 O Se6 | C 1 2/m 1 | 15.714; 4.0699; 11.643 90; 93.15; 90 | 743.5 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568139 | CIF | Cu4 Na4.55 O S4 | I 4/m | 10.9081; 10.9081; 3.886 90; 90; 90 | 462.38 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568140 | CIF | Cu3 Na S2 | R -3 m :H | 3.936; 3.936; 22.003 90; 90; 120 | 295.2 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568141 | CIF | Cu11.4 Na9.74 O2 S10 | P 1 2/c 1 | 20.388; 7.7841; 15.311 90; 110.9; 90 | 2270 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568142 | CIF | Cu7.43 Na5.34 O S6 | C 1 2/m 1 | 15.278; 3.9247; 11.324 90; 91.89; 90 | 678.6 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568143 | CIF | Cu3.52 K4.33 O0.88 Se4 | I 4/m | 12.335; 12.335; 4.433 90; 90; 90 | 674.5 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568144 | CIF | Cu2.78 Na0.84 Se2 | C 1 2/m 1 | 7.0555; 4.0808; 7.9345 90; 108.39; 90 | 216.78 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568145 | CIF | Cu0.59 Li0.42 Na S | P 4/n m m :2 | 3.9745; 3.9745; 6.548 90; 90; 90 | 103.44 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568146 | CIF | Cu0.65 Li0.35 Na Se | P 4/n m m :2 | 4.1307; 4.1307; 6.815 90; 90; 90 | 116.28 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568147 | CIF | Ba Cu1.42 Li0.58 S2 | I 4 m m | 3.9191; 3.9191; 12.677 90; 90; 90 | 194.71 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568148 | CIF | Ba9 Cu13.46 Na4 O8 S12 | I 4/m | 20.247; 20.247; 3.9958 90; 90; 90 | 1638 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568149 | CIF | Ba0.44 Cu2.02 Rb0.56 Se2 | I 4/m m m | 4.0442; 4.0442; 13.357 90; 90; 90 | 218.46 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568150 | CIF | Ba1.89 Cu13.92 Na6 S12 | C 1 2/m 1 | 7.1315; 12.365; 14.892 90; 99.15; 90 | 1296.5 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568151 | CIF | Ba Cu7 K3 S6 | C 1 2/m 1 | 7.2499; 12.4798; 8.3691 90; 106.647; 90 | 725.48 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568152 | CIF | Ba2 Cu2 Na1.24 O1.25 S3 | C 1 2/m 1 | 22.188; 4.2597; 17.111 90; 91.544; 90 | 1616.6 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568153 | CIF | Ba1.89 Cu5.56 O Se4 | P n m a | 19.354; 4.2315; 12.261 90; 90; 90 | 1004.1 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568154 | CIF | Ba2 Cu2.8 O2 Se2 | I 4/m m m | 4.1491; 4.1491; 19.594 90; 90; 90 | 337.31 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568155 | CIF | Ba2 Cu2 Na0.55 O2 Se2 | I 4/m m m | 4.2049; 4.2049; 19.231 90; 90; 90 | 340.03 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568156 | CIF | Ba1.59 Cu1.92 K0.41 O1.86 Se2 | I 4 m m | 4.2047; 4.2047; 19.346 90; 90; 90 | 342.03 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568157 | CIF | Ba2 Cu1.79 O3 S | P 4/n m m :2 | 4.0099; 4.0099; 16.532 90; 90; 90 | 265.82 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568158 | CIF | Ba0.63 Cu1.83 K0.87 S0.9 Se1.1 | P b a m | 7.483; 16.0919; 4.1041 90; 90; 90 | 494.2 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568159 | CIF | Cu10 K2 Se6 | P 42/m n m | 12.9183; 12.9183; 4.0117 90; 90; 90 | 669.48 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568160 | CIF | Cu6.09 Rb Se4 | I 4/m | 10.561; 10.561; 3.974 90; 90; 90 | 443.24 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568161 | CIF | Ba4 Cu12 Rb6 Se13 | I m -3 | 12.1735; 12.1735; 12.1735 90; 90; 90 | 1804.04 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568162 | CIF | Cu7.66 Na6 Se8 | P b a m | 7.417; 15.192; 3.9244 90; 90; 90 | 442.2 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568163 | CIF | Ba Cu7 K3 S6 | C 1 2/m 1 | 7.2523; 12.4863; 8.3687 90; 106.661; 90 | 726.01 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568223 | CIF | Mg P2 Si | I -4 2 d | 5.7156; 5.7156; 10.074 90; 90; 90 | 329.1 | Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning Uncovering a Vital Band Gap Mechanism of Pnictides. Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2022, 9, e2105787 |
| 1568330 | CIF | Al24 H72 O132 P24 | P 1 1 2 | 23.7976; 13.7337; 8.41344 90; 90; 89.6583 | 2749.71 | Kolokathis, Panagiotis D.; Nonnen, Thomas; Füldner, Gerrit; Papadopoulos, George K. Identification of hydrated phases in ALPO4-5, and explanation of their effect on the water sorption and dynamics Microporous and Mesoporous Materials, 2022, 329, 111501 |
| 1568977 | CIF | Co Na O P Sr | P 1 21/a 1 | 9.20152; 5.265935; 13.54116 90; 90.0661; 90 | 656.131 | Bader, Vera P.; Langmann, Jan; Gegenwart, Philipp; Tsirlin, Alexander A. Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2 Physical Review B, 2022, 106, 054415-1 |
| 1569287 | CIF | O7 Ti2 Y2 | F d -3 m :2 | 10.1109; 10.1109; 10.1109 90; 90; 90 | 1033.64 | Nishio-Hamae, D.; Momma, K.; Ohnishi, M.; Inaba, S. Oxyyttrobetafite-(Y), Y2Ti2O6O, a new mineral of the pyrochlore supergroup in a pegmatite from Souri Valley, Komono, Mie Prefecture Japan Journal of Mineralogical and Petrological Sciences, 2022, 1-6 |
| 1570298 | CIF | Ca2 O7 P2 | P -1 | 6.666; 6.722; 6.7374 65.113; 87.7634; 85.0755 | 272.849 | Sauskojus, Wolfgang; Wied, Jan K.; Litterscheid, Christian F.; Mangstl, Martin; Schmedt auf der Günne, Jörn Crystal Structure of γ‐Ca2P2O7 Zeitschrift für anorganische und allgemeine Chemie, 2022, 648 |
| 1571164 | CIF Paper | C6 H17 Br3 N2 O | P 32 2 1 | 9.5838; 9.5838; 23.227 90; 90; 120 | 1847.56 | Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph. IUCrJ, 2022, 9, 544-550 |
| 1571165 | CIF | C6 H17 Br3 N2 O | P 3 c 1 | 16.0425; 16.0425; 7.9666 90; 90; 120 | 1775.61 | Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph. IUCrJ, 2022, 9, 544-550 |
| 1574285 | CIF | La O4 P | P 1 21/n 1 | 6.784; 8.2599; 5.321 90; 90; 90 | 298.2 | Golle-Leidreiter, P.; Durschang, B.; Kolb, U.; Sextl, G. Crystal structure determination of a new LaPO4 phase in a multicomponent glass ceramic via 3D electron diffraction _publ_section_title_footnote Ceramics International, 2022, 48, 3790 |
| 2022485 | CIF HKL Paper | C27 H18 Co N2 O8 | P 1 21/c 1 | 11.6652; 20.9692; 11.0438 90; 113.609; 90 | 2475.3 | Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand Acta Crystallographica Section C, 2022, 78 |
| 2022486 | CIF HKL Paper | C27 H18 N2 Ni O8 | P 1 21/c 1 | 11.6277; 20.8495; 11.0075 90; 113.689; 90 | 2443.7 | Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand Acta Crystallographica Section C, 2022, 78 |
| 2022487 | CIF HKL Paper | C13 H12 N4 S | P 1 21/c 1 | 7.2214; 6.6059; 25.962 90; 94.233; 90 | 1235.11 | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C, 2022, 78 |
| 2022488 | CIF HKL Paper | C15 H16 N4 S | P b c a | 15.8897; 10.9845; 16.8393 90; 90; 90 | 2939.14 | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C, 2022, 78 |
| 2022489 | CIF HKL Paper | C51 H45 Cl Cu N5 P2 S | P 1 21/c 1 | 18.7299; 11.1592; 21.6646 90; 96.296; 90 | 4500.8 | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C, 2022, 78 |
| 2022490 | CIF HKL Paper | C18 H22 N8 Ni S2 | P 1 21/c 1 | 7.6398; 14.393; 9.7339 90; 107.823; 90 | 1018.97 | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C, 2022, 78 |
| 2022491 | CIF HKL Paper | C70 H70 N8 O4 Se2 | P -4 b 2 | 21.507; 21.507; 13.434 90; 90; 90 | 6214 | Malla, Manzoor Ahmad; Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K. Crystal structure, Hirshfeld surface analysis and DFT study of 2,2''-({[(1<i>E</i>,1'<i>E</i>)-(diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one] Acta Crystallographica Section E, 2022, 78, 1-7 |
| 2022492 | CIF HKL Paper | C17 H26 Cl N O | P 1 21/c 1 | 17.0494; 6.9334; 15.241 90; 108.635; 90 | 1707.19 | Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C, 2022, 78 |
| 2022493 | CIF HKL Paper | C16 H24 Cl N O | P 1 21/c 1 | 14.0379; 10.3133; 11.4344 90; 96.829; 90 | 1643.7 | Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C, 2022, 78 |
| 2022494 | CIF HKL Paper | C13 H20 Cl N O | P 1 21/n 1 | 7.1747; 7.8832; 24.9469 90; 93.765; 90 | 1407.94 | Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C, 2022, 78 |
| 2022495 | CIF HKL Paper | C11 H10 N4 O7 S | P 1 21/n 1 | 9.8459; 10.953; 12.6881 90; 91.524; 90 | 1367.83 | Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals Acta Crystallographica Section C, 2022, 78, 7-13 |
| 2022496 | CIF HKL Paper | C11 H10 Cl N3 O5 S | P 1 21/n 1 | 7.392; 11.2356; 16.674 90; 101.33; 90 | 1357.8 | Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals Acta Crystallographica Section C, 2022, 78, 7-13 |
| 2022512 | CIF HKL Paper | C10 H18 N2 O8 | P 1 21 1 | 5.1153; 7.1849; 18.4639 90; 96.817; 90 | 673.8 | Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
| 2022513 | CIF HKL Paper | C10 H18 N2 O8 | P 1 21 1 | 5.1153; 7.1849; 18.4639 90; 96.817; 90 | 673.8 | Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
| 2022514 | CIF HKL Paper | C54 H55 Cl4 N13 Ni4 O26 | P n a 21 | 23.5976; 11.8723; 22.2989 90; 90; 90 | 6247.2 | Patel, R. N.; Patel, S. K.; Patel, A. K.; Patel, N.; Butcher, Ray J. A tetranuclear nickel(II) complex, [Ni4(L)4](ClO4)4·C2H3N·2H2O, with an asymmetric Ni4O4 open-cubane-like core Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
| 2022515 | CIF HKL Paper | C27 H15 N3 O3 | P 1 21/c 1 | 14.1863; 7.4446; 18.338 90; 90.3606; 90 | 1936.66 | Yu, Hao; Gray, Danielle L.; Woods, Toby J.; Moore, Jeffrey S. Trioxazolo[2^3^]metacyclophane: synthesis, structural analysis, and optical properties Acta Crystallographica Section C, 2022, 78 |
| 2022516 | CIF Paper | C24 H34 O2 Te | P b c n | 9.3633; 14.2339; 17.7479 90; 90; 90 | 2365.37 | Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric diorganotellurone without cocrystallized solvents and without stabilizing intramolecular contacts Acta Crystallographica Section C, 2022, 78 |
| 2022517 | CIF HKL Paper | C31.6 H17.4 Fe N15.8 | P -1 | 11.9972; 12.8711; 13.0907 62.528; 82.929; 77.21 | 1748.47 | Sünkel, Karlheinz; Blockhaus, Tobias Coordination chemistry of polynitriles. Part 9. Decacyanoferrocene revisited. Crystal and molecular structure of <i>cis</i>-[{C~5~(CN)~5~}~2~(MeCN)~4~Fe] Acta Crystallographica Section C, 2022, 78 |
| 2022518 | CIF HKL Paper | C16 H16 O S | P 21 21 21 | 5.4591; 9.6001; 25.0301 90; 90; 90 | 1311.78 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022519 | CIF HKL Paper | C16 H16 O S | P 21 21 21 | 5.1311; 9.1135; 28.4 90; 90; 90 | 1328.05 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022520 | CIF HKL Paper | C17 H18 O2 S | P 1 21/n 1 | 14.0829; 7.749; 14.6419 90; 116.329; 90 | 1432.09 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022521 | CIF HKL Paper | C17 H18 O2 S | P n a 21 | 18.4026; 10.90882; 7.37881 90; 90; 90 | 1481.3 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022522 | CIF HKL Paper | C17 H18 O2 S | P 1 21/c 1 | 7.22965; 37.4539; 10.85314 90; 90.0541; 90 | 2938.8 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022523 | CIF HKL Paper | C17 H18 O2 S | P 21 21 21 | 5.4341; 13.322; 20.9587 90; 90; 90 | 1517.26 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022524 | CIF HKL Paper | C18 H20 O3 S | P 21 21 21 | 5.3187; 8.3866; 36.019 90; 90; 90 | 1606.66 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022525 | CIF HKL Paper | C18 H20 O3 S | P 1 21/n 1 | 10.927; 7.2754; 40.2818 90; 93.094; 90 | 3197.7 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022526 | CIF HKL Paper | C18 H20 O3 S | P 1 21/n 1 | 12.252; 7.0563; 19.1866 90; 100.261; 90 | 1632.22 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
| 2022527 | CIF HKL Paper | C25 H26 O13 | P 1 21 1 | 13.88124; 15.36081; 5.59335 90; 94.9763; 90 | 1188.16 | Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N. Cynarine monohydrate from synchrotron powder X-ray diffraction data Acta Crystallographica Section C, 2022, 78 |
| 2022528 | CIF Paper | C25 H26 O13 | P 1 21 1 | 13.8811; 15.3608; 5.5934 90; 94.98; 90 | 1188.15 | Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N. Cynarine monohydrate from synchrotron powder X-ray diffraction data Acta Crystallographica Section C, 2022, 78 |
| 2022529 | CIF HKL Paper | C11 H10 Br N O3 | P -1 | 9.8671; 10.6765; 11.8719 85.77; 86.907; 63.586 | 1116.73 | Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex Acta Crystallographica Section C, 2022, 78 |
| 2022530 | CIF HKL Paper | C19 H23 Br N2 O8 Zn2 | P -1 | 8.03; 10.1184; 14.4723 87.217; 89.232; 83.518 | 1166.95 | Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex Acta Crystallographica Section C, 2022, 78 |
| 2022531 | CIF HKL Paper | C16 H13 Gd N3 O8 | F d d d :2 | 17.9185; 18.0874; 26.5146 90; 90; 90 | 8593.4 | Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure Acta Crystallographica Section C, 2022, 78 |
| 2022532 | CIF HKL Paper | C38 H64 Mo N2 O6 | P 1 21/n 1 | 18.4889; 10.9722; 19.1517 90; 94.035; 90 | 3875.6 | Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
| 2022533 | CIF | C26 H32 Mo N4 O6 | P -1 | 9.601; 12.86; 21.428 91.44; 91.49; 93.22 | 2639.68 | Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
| 2022534 | CIF HKL Paper | C11 H19 Cl N4 Ni O2 | C m c e | 14.3402; 14.2577; 13.1777 90; 90; 90 | 2694.3 | Chang, Hsuan; Chen, Wen-Ching; Shen, Jiun-Shian; Ong, Tiow-Gan; Wang, Vincent C.-C.; Yap, Glenn P. A. Mirror-plane disorder in a nickel chloride Schiff base complex: a suitable case study for crystallographic instruction Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
| 2022535 | CIF HKL Paper | C36 H48 K2 O4 V | P 1 21/c 1 | 10.985; 17.243; 18.532 90; 101.014; 90 | 3445.6 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
| 2022536 | CIF HKL Paper | C48 H76 K N2 O7 P2 V | P 1 2 1 | 10.3028; 8.6409; 14.5778 90; 108.835; 90 | 1228.3 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
| 2022537 | CIF HKL Paper | C104 H136 K2 O18 V2 | P -1 | 9.1729; 9.3501; 27.928 89.695; 88.67; 83.918 | 2381.2 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
| 2022538 | CIF HKL Paper | C55 H77 K O9 P V | P -1 | 9.6431; 14.4883; 20.804 74.992; 84.667; 71.815 | 2667 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
| 2022539 | CIF HKL Paper | C50 H76 K O8 P2 V | P -1 | 12.4421; 13.9771; 15.1934 97.35; 93.436; 101.178 | 2561 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
| 2022540 | CIF HKL Paper | C40 H44 Na O3 V2 | P -1 | 10.9951; 12.0777; 13.502 78.594; 68.517; 78.738 | 1620.6 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
| 2022541 | CIF Paper | C54 H42 Cu3 N12 O12 | I a -3 | 22.27; 22.27; 22.27 90; 90; 90 | 11045 | Chen, Hui-Ru Synthesis, crystal structure and photocatalytic properties of a three-dimensional copper(II) metal–organic framework based on 1,3,5-tris(2-methylimidazol-1-yl)benzene Acta Crystallographica Section C, 2022, 78 |
| 2022542 | CIF HKL Paper | C14 H14 N4 O5 | P 21 21 21 | 5.3043; 11.1405; 22.6067 90; 90; 90 | 1335.89 | Budow-Busse, Simone; Jana, Sunit K.; Kondhare, Dasharath; Daniliuc, Constantin; Seela, Frank 8-Furylimidazolo-2'-deoxycytidine: crystal structure, packing, atropisomerism and fluorescence Acta Crystallographica Section C, 2022, 78 |
| 2022543 | CIF HKL Paper | C26 H32 N2 O8 | P -1 | 8.697; 9.203; 15.916 75.369; 82.049; 89.151 | 1220.5 | Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C, 2022, 78 |
| 2022544 | CIF HKL Paper | C24 H28 N2 O7 | P b c a | 16.208; 14.849; 18.052 90; 90; 90 | 4345 | Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C, 2022, 78 |
| 2022545 | CIF HKL Paper | C24 H28 N2 O7 | P 1 21 1 | 7.6238; 23.318; 12.655 90; 100.677; 90 | 2210.8 | Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C, 2022, 78 |
| 2022546 | CIF HKL Paper | C20 H32 Ag B F4 N8 S2 | P -1 | 10.1813; 10.2237; 15.0154 73.446; 82.398; 61.781 | 1320.11 | Blake, Alexander J.; Lippolis, Vito; Schroder, Martin Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I) Acta Crystallographica Section C, 2022, 78 |
| 2022547 | CIF HKL Paper | C13 H20 Ag N5 S2 | P -1 | 8.4426; 8.5739; 11.8497 96.585; 99.023; 95.313 | 836.19 | Blake, Alexander J.; Lippolis, Vito; Schroder, Martin Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I) Acta Crystallographica Section C, 2022, 78 |
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