Crystallography Open Database
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Searching year of publication is 2022
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1566071 | CIF | C51 H54 B N3 | C 1 2/c 1 | 15.4761; 32.994; 18.061 90; 87; 90 | 9209.6 | Meng, Guoyun; Liu, Lijie; He, Zhechang; Hall, David; Wang, Xiang; Peng, Tai; Yin, Xiaodong; Chen, Pangkuan; Beljonne, David; Olivier, Yoann; Zysman-Colman, Eli; Wang, Nan; Wang, Suning Multi-resonant thermally activated delayed fluorescence emitters based on tetracoordinate boron-containing PAHs: colour tuning based on the nature of chelates Chemical Science, 2022 |
| 1566072 | CIF | C52 H54 B Cl2 N3 | P -1 | 11.2074; 13.1456; 15.4247 72.412; 80.497; 85.153 | 2135.1 | Meng, Guoyun; Liu, Lijie; He, Zhechang; Hall, David; Wang, Xiang; Peng, Tai; Yin, Xiaodong; Chen, Pangkuan; Beljonne, David; Olivier, Yoann; Zysman-Colman, Eli; Wang, Nan; Wang, Suning Multi-resonant thermally activated delayed fluorescence emitters based on tetracoordinate boron-containing PAHs: colour tuning based on the nature of chelates Chemical Science, 2022 |
| 1566073 | CIF | C37 H24 S2 | P n m a | 21.2609; 17.4543; 7.089 90; 90; 90 | 2630.69 | Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization Chemical Science, 2022 |
| 1566074 | CIF | C88 H118 Au4 Cl4 P4 | P 1 21/n 1 | 16.7069; 15.0274; 16.9838 90; 90.962; 90 | 4263.37 | Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization Chemical Science, 2022 |
| 1566075 | CIF | C68 H44 | P 1 21/c 1 | 18.1646; 6.4798; 25.8994 90; 107.36; 90 | 2909.58 | Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization Chemical Science, 2022 |
| 1566076 | CIF | C45 H28 S2 | P 1 21/n 1 | 22.7656; 5.8183; 26.2196 90; 111.135; 90 | 3239.4 | Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization Chemical Science, 2022 |
| 1566077 | CIF | C130 H44 S4 | P 1 21/c 1 | 11.972; 21.5606; 15.2604 90; 100.313; 90 | 3875.43 | Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization Chemical Science, 2022 |
| 1566078 | CIF | C123 H80 S6 | P -1 | 10.8159; 18.1529; 25.9016 74.817; 83.098; 82.344 | 4844.88 | Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization Chemical Science, 2022 |
| 1566079 | CIF | C54.5 H65 Cl5 N12 O8 Pd4 | C 1 2/c 1 | 39.352; 14.1869; 22.175 90; 96.411; 90 | 12303 | Zhang, Shuaizhong; Zhang, Jinquan; Zou, Hongbin C(sp3)–H oxygenation via alkoxypalladium(ii) species: an update for the mechanism Chemical Science, 2022, 13, 1298-1306 |
| 1566080 | CIF | C26 H44 Fe N10 | P n n a | 13.1007; 11.6128; 20.0929 90; 90; 90 | 3056.8 | Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures Chemical Science, 2022 |
| 1566081 | CIF | C26 H44 Co N10 | P n n a | 13.066; 11.6026; 19.926 90; 90; 90 | 3020.8 | Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures Chemical Science, 2022 |
| 1566082 | CIF | C21.99 H35.67 Co N10 | P 21 21 2 | 15.7659; 15.7712; 21.2815 90; 90; 90 | 5291.6 | Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures Chemical Science, 2022 |
| 1566083 | CIF | C22.01 H35.86 Fe N10 | P 21 21 2 | 15.7971; 15.8093; 21.4138 90; 90; 90 | 5347.9 | Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures Chemical Science, 2022 |
| 1566090 | CIF | C21 H16 Cl N4 O5 P Ru | C 1 2/c 1 | 14.06525; 25.1567; 13.9309 90; 100.051; 90 | 4853.59 | Bühler, Jan; Zurflüh, Jonas; Siol, Sebastian; Blacque, Olivier; Sévery, Laurent; Tilley, S. David Electrochemical ruthenium-catalysed C–H activation in water through heterogenization of a molecular catalyst Catalysis Science & Technology, 2022, 12, 1512-1519 |
| 1566091 | CIF | C39 H34 B N7 O4 Zn | P -1 | 11.8862; 12.1596; 13.5975 115.605; 90.781; 98.587 | 1745.7 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566092 | CIF | C40 H35 B N8 O Zn | P 1 21/n 1 | 11.4421; 22.4577; 13.4441 90; 96.516; 90 | 3432.3 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566093 | CIF | C39 H36 B N9 O2 Zn | P -1 | 11.4528; 11.6697; 13.8501 80.236; 88.814; 73.751 | 1750.69 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566094 | CIF | C40.62 H37.25 B N7 O4 Zn | P 1 21/n 1 | 11.6546; 14.6697; 21.3858 90; 97.912; 90 | 3621.5 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566095 | CIF | C39 H35 B N8 O2 Zn | P b c a | 17.7615; 17.8877; 21.437 90; 90; 90 | 6810.8 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566096 | CIF | C39 H38 B N7 O4 S Zn | P n a 21 | 11.9864; 16.941; 18.04 90; 90; 90 | 3663.2 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566097 | CIF | C44 H42 B N10 O2 Zn | P -1 | 12.4046; 12.5836; 14.653 88.179; 66.003; 74.862 | 2009.9 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566098 | CIF | C40 H37 B N8 O2.29 Zn | P 1 21/c 1 | 12.7201; 22.4184; 13.4325 90; 110.416; 90 | 3589.9 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566099 | CIF | C38 H34 B N9 O2 Zn | C 1 2/c 1 | 24.7054; 12.3535; 25.1484 90; 107.246; 90 | 7330.2 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566100 | CIF | C38 H36 B N7 O4 S Zn | P -1 | 9.78; 17.966; 23.194 87.678; 87.319; 84.581 | 4050 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566101 | CIF | C44.58 H43.62 B N8 O4 S Zn | P 1 21/c 1 | 24.917; 12.6257; 27.9346 90; 100.367; 90 | 8644.6 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566102 | CIF | C43 H36 B N7 O S Zn | P b c a | 16.4658; 22.9868; 23.1548 90; 90; 90 | 8764 | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition Chemical Science, 2022 |
| 1566103 | CIF | C720 H1080 Ag296 Cl112 F72 Sb12 | P 1 21/c 1 | 46.413; 27.613; 47.653 90; 108.954; 90 | 57761 | Jiang, Zhan-Guo; Wu, Wei-Hong; Jin, Bo-Xing; Zeng, Hui-Min; Jin, Zhi-Gang; Zhan, Cai-Hong A chloride-doped silver-sulfide cluster [Ag<sub>148</sub>S<sub>26</sub>Cl<sub>30</sub>(CCBu<sup><i>t</i></sup>)<sub>60</sub>]<sup>6+</sup>: hierarchical assembly, enhanced luminescence and cytotoxicity to cancer cells. Nanoscale, 2022, 14, 1971-1977 |
| 1566104 | CIF | C720 H1080 Ag296 F72 S112 Sb12 | P 1 21/c 1 | 46.413; 27.613; 47.653 90; 108.954; 90 | 57761 | Jiang, Zhan-Guo; Wu, Wei-Hong; Jin, Bo-Xing; Zeng, Hui-Min; Jin, Zhi-Gang; Zhan, Cai-Hong A chloride-doped silver-sulfide cluster [Ag<sub>148</sub>S<sub>26</sub>Cl<sub>30</sub>(CCBu<sup><i>t</i></sup>)<sub>60</sub>]<sup>6+</sup>: hierarchical assembly, enhanced luminescence and cytotoxicity to cancer cells. Nanoscale, 2022, 14, 1971-1977 |
| 1566105 | CIF | C22 H27 B O3 | P 21 21 21 | 8.6344; 13.5463; 16.9157 90; 90; 90 | 1978.53 | Wu, Yuanqi; Wu, Lizuo; Zhang, Zhanming; Xu, Bing; Liu, Yu; Zhang, Junliang Enantioselective Difunctionalization of Alkenes by a Palladium-Catalyzed Heck/Borylation Sequence Chemical Science, 2022 |
| 1566111 | CIF | C132 H180 Ce4 Cs4 N16 O16 | P 1 21/n 1 | 23.7065; 37.202; 39.448 90; 90.029; 90 | 34790 | Moreau, Liane M.; Lapsheva, Ekaterina; Amaro-Estrada, Jorge I.; Gau, Michael R.; Carroll, Patrick J.; Manor, Brian C.; Qiao, Yusen; Yang, Qiaomu; Lukens, Wayne W.; Sokaras, Dimosthenis; Schelter, Eric J.; Maron, Laurent; Booth, Corwin H. Electronic structure studies reveal 4f/5d mixing and its effect on bonding characteristics in Ce-imido and -oxo complexes Chemical Science, 2022 |
| 1566112 | CIF | C156 H228 Ce4 K4 N16 O22 | P -1 | 18.7496; 19.4808; 25.7609 75.817; 71.717; 70.697 | 8326.6 | Moreau, Liane M.; Lapsheva, Ekaterina; Amaro-Estrada, Jorge I.; Gau, Michael R.; Carroll, Patrick J.; Manor, Brian C.; Qiao, Yusen; Yang, Qiaomu; Lukens, Wayne W.; Sokaras, Dimosthenis; Schelter, Eric J.; Maron, Laurent; Booth, Corwin H. Electronic structure studies reveal 4f/5d mixing and its effect on bonding characteristics in Ce-imido and -oxo complexes Chemical Science, 2022 |
| 1566113 | CIF | C75 H67 N2 O | P -1 | 13.3376; 15.8984; 16.7118 86.2207; 87.3777; 69.0861 | 3302.08 | Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M. Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli Diindolocarbazole - achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units. Materials horizons, 2022, 9, 1068-1080 |
| 1566114 | CIF | C45 H41 N | P 1 21/n 1 | 8.24799; 14.1901; 28.3417 90; 90.5962; 90 | 3316.93 | Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M. Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli Diindolocarbazole - achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units. Materials horizons, 2022, 9, 1068-1080 |
| 1566124 | CIF | C19 H23 N O2 | P 21 21 21 | 9.4746; 12.0701; 30.0751 90; 90; 90 | 3439.4 | Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate Chemical Science, 2022 |
| 1566125 | CIF | C19 H23 N O S | P 21 21 21 | 5.8465; 16.2467; 17.6742 90; 90; 90 | 1678.81 | Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate Chemical Science, 2022 |
| 1566126 | CIF | C19 H23 N O | P 21 21 21 | 5.827; 16.246; 16.8144 90; 90; 90 | 1591.74 | Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate Chemical Science, 2022 |
| 1566127 | CIF | H2 Mn1.25 O5 P | C 1 2/c 1 | 17.6182; 9.1333; 9.4921 90; 96.532; 90 | 1517.48 | Deng, Mingxia; Liu, Weijing; Liu, Qian; Sun, Du; Huang, Fuqiang A new compound Mn5P4O20H8 achieving efficient heavy metal removal to the ppb level through a dual chemisorption–ion exchange pathway Environmental Science: Nano, 2022, 9, 1146-1155 |
| 1566147 | CIF | C40 H38 N2 O2 | P -1 | 10.4645; 12.4559; 12.5578 107.272; 102.991; 90.239 | 1518.6 | Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds Chemical Science, 2022 |
| 1566148 | CIF | C19 H16 Cl N O | P -1 | 5.8886; 10.0297; 13.4799 102.666; 94.86; 105.758 | 738.69 | Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds Chemical Science, 2022 |
| 1566149 | CIF | C38 H34 N2 O2 | P b c a | 19.6653; 10.33692; 28.5425 90; 90; 90 | 5802.08 | Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds Chemical Science, 2022 |
| 1566150 | CIF | C48 H54 N2 O2 | P -1 | 10.9885; 13.562; 14.3897 82.728; 69.086; 80.532 | 1970.5 | Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds Chemical Science, 2022 |
| 1566151 | CIF | C29 H49 B Br N3 | P n a 21 | 16.6843; 10.1022; 17.8126 90; 90; 90 | 3002.3 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566152 | CIF | C29 H49 B Cl N3 | P n a 21 | 16.7035; 10.08; 17.6907 90; 90; 90 | 2978.6 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566153 | CIF | C29 H49 Al B Br3 N6 | P b c a | 18.3035; 18.6688; 41.8373 90; 90; 90 | 14296 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566154 | CIF | C58 H98 Al2 B2 Br8 N6 | P -1 | 9.5926; 18.3489; 22.4133 109.017; 98.006; 96.256 | 3642.84 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566155 | CIF | C35 H57 Al B Br4 N3 | P -1 | 9.7709; 20.3965; 21.6332 91.982; 100.812; 98.869 | 4175.2 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566156 | CIF | C41 H61 Al B Br4 N3 | P -1 | 10.2658; 15.817; 15.9702 65.411; 78.295; 80.201 | 2298.2 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566157 | CIF | C33 H59 Al B Br4 N5 Si | P -1 | 11.9613; 13.4134; 15.2453 109.98; 104.192; 102.755 | 2100.41 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566158 | CIF | C31 H52 Al B Br4 N4 | I 1 2/a 1 | 11.781; 15.9628; 41.3531 90; 93.4263; 90 | 7762.9 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566159 | CIF | C41 H65 Al B Br4 Cl3 N4 O | P 1 21/n 1 | 12.64878; 21.8402; 19.4954 90; 106.767; 90 | 5156.68 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566160 | CIF | C54 H77 Al B Br4 N5 | P -1 | 14.3058; 14.4769; 14.7822 82.612; 72.27; 89.201 | 2890.8 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
| 1566161 | CIF | C38 H24 N6 O4 | P 1 21/c 1 | 14.0425; 11.2236; 19.5237 90; 103.069; 90 | 2997.38 | Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H. Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design Chemical Science, 2022 |
| 1566162 | CIF | C220 H102 B2 F8 N14 O16 Pd2 | P 1 21/c 1 | 30.755; 16.741; 41.053 90; 108.2; 90 | 20079 | Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H. Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design Chemical Science, 2022 |
| 1566163 | CIF | C608 H384 F60 N96 O64 Pd8 Sb10 | P c c n | 41.972; 70.711; 27.616 90; 90; 90 | 81961 | Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H. Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design Chemical Science, 2022 |
| 1566188 | CIF | C8 H7 N O2 | P 21 21 21 | 5.862; 7.712; 14.907 90; 90; 90 | 673.9 | Sasikumar, Devika; Vinod, Kavya; Sunny, Jeswin; Hariharan, Mahesh Exciton interactions in helical crystals of a hydrogen-bonded eumelanin monomer Chemical Science, 2022, 13, 2331-2338 |
| 1566189 | CIF HKL Paper | C12 H26 Cl N O11 | P 1 21 1 | 4.785; 13.523; 13.254 90; 93.94; 90 | 855.6 | Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P. β-<small>D</small>-Galactopyranosyl-(1→ 4)–2-amino-2-deoxy-α-<small>D</small>-glucopyranose hydrochloride monohydrate (lactosamine) IUCrData, 2022, 7, x220061 |
| 1566196 | CIF | C90 H80.54 F24 N3 O8 | P 1 21/n 1 | 21.873; 15.4168; 27.7277 90; 113.23; 90 | 8592.1 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566197 | CIF | C82 H82 Cl4 F8 N2 O8 | C 1 2/c 1 | 33.1351; 12.8854; 23.6066 90; 131.764; 90 | 7517.9 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566198 | CIF | C68 H48 F16 O8 | F d d d :2 | 28.0557; 31.8586; 36.449 90; 90; 90 | 32579 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566199 | CIF | C84 H80 F12 N4 O8 | P -1 | 12.0029; 12.909; 25.4812 78.324; 77.909; 79.55 | 3740.7 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566200 | CIF | C95 H106 F16 N2 O11 S | P 1 21 1 | 12.7581; 22.867; 16.3241 90; 94.056; 90 | 4750.5 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566201 | CIF | C82 H89 N3 O8 | P -1 | 11.9327; 12.8148; 24.0608 100.145; 96.381; 102.831 | 3487.76 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566202 | CIF | C197 H203 F48 N2 O22 S2 | P -1 | 18.7373; 23.963; 25.256 82.849; 74.062; 78.107 | 10642.2 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566203 | CIF | C93 H107 F12 N O11 S | P 1 21/n 1 | 12.5311; 20.5937; 32.976 90; 94.627; 90 | 8482.1 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566204 | CIF | C94 H112 F8 N2 O11 S | P 21 21 21 | 23.0191; 22.9578; 32.8882 90; 90; 90 | 17380.4 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566205 | CIF | C82 H85 F4 N3 O8 | P -1 | 11.9504; 12.9188; 24.0391 99.832; 96.529; 101.954 | 3534.42 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566206 | CIF | C82 H85 F4 N3 O8 | P -1 | 11.969; 12.961; 24.112 101.319; 91.758; 101.826 | 3580.1 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566207 | CIF | C78 H71 F12 N O8 | P 1 21/c 1 | 22.7987; 33.305; 21.422 90; 94.928; 90 | 16205.8 | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science, 2022 |
| 1566239 | CIF | C45.27 H22 Al Cl2 Cr0.18 O15.33 Zr3 | P 6/m m m | 39.433; 39.433; 16.2564 90; 90; 120 | 21891 | Goetjen, Timothy A.; Knapp, Julia G.; Syed, Zoha H.; Hackler, Ryan A.; Zhang, Xuan; Delferro, Massimiliano; Hupp, Joseph T.; Farha, Omar K. Ethylene polymerization with a crystallographically well-defined metal–organic framework supported catalyst Catalysis Science & Technology, 2022, 12, 1619-1627 |
| 1566240 | CIF | C254 H244 Bi38 N11 O149 Ti6 | P -1 | 23.6421; 23.8375; 38.8128 107.572; 91.111; 114.493 | 18711.2 | Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022 |
| 1566241 | CIF | C252 H222 Bi38 N6 O158 Ti14 | R -3 c :H | 24.8265; 24.8265; 120.4773 90; 90; 120 | 64308 | Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022 |
| 1566242 | CIF | C312 H276 Bi38 O164 Ti18 | R -3 :H | 39.6442; 39.6442; 23.6456 90; 90; 120 | 32184 | Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022 |
| 1566243 | CIF | C240 H202 Bi38 N10 O145 Ti6 | C 1 2/c 1 | 31.6643; 33.3838; 35.4595 90; 91.569; 90 | 37469.3 | Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022 |
| 1566244 | CIF | C306 H304 Bi38 N4 O186 Ti20 | P -1 | 23.1533; 23.548; 23.6018 117.688; 115.545; 92.2502 | 9807.3 | Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022 |
| 1566245 | CIF | C342 H236 Bi38 N4 O178 Ti16 | I 1 2/a 1 | 25.2403; 43.6932; 49.0721 90; 96.672; 90 | 53751.6 | Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022 |
| 1566246 | CIF | C290 H210 Bi38 N6 O159 Ti16 | P 1 21/n 1 | 22.5953; 37.4685; 23.2719 90; 98.164; 90 | 19502.6 | Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022 |
| 1566247 | CIF | C15 H17 N3 O5 S | P 1 21 1 | 6.5937; 22.424; 10.7128 90; 97.951; 90 | 1568.7 | Rigotti, Thomas; Schwinger, Daniel P.; Graßl, Raphaela; Jandl, Christian; Bach, Thorsten Enantioselective crossed intramolecular [2+2] photocycloaddition reactions mediated by a chiral chelating Lewis acid Chemical Science, 2022, 13, 2378-2384 |
| 1566248 | CIF | F7 Na Nb Rb | C m c m | 6.7031; 10.9813; 8.2969 90; 90; 90 | 610.72 | Kumada, N.; Takei, T. Hydrothermal synthesis and crystal structure of a new rubidium sodium niobium fluoride, RbNaNbF7 Journal of the Ceramic Society of Japan, 2022, 130, 232-235 |
| 1566249 | CIF HKL | C16 H26.4 Ag2 K2 N2 O13.2 S4 | P 1 21/c 1 | 13.386; 6.0085; 17.843 90; 108.657; 90 | 1359.7 | Pacifico, Jessica; Stoeckli-Evans, Helen Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate] IUCrData, 2022, 7, x220077 |
| 1566266 | CIF | C25 H23 N3 O7 S | P 1 21 1 | 7.5832; 15.8833; 10.5856 90; 104.429; 90 | 1234.78 | Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science, 2022, 13, 2317-2323 |
| 1566267 | CIF | C25 H21 N3 O7 S | P -1 | 7.2994; 8.0887; 21.2887 91.614; 94.807; 100.145 | 1231.76 | Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science, 2022, 13, 2317-2323 |
| 1566268 | CIF | C25 H24 N2 O5 S | P 1 21/c 1 | 14.60983; 31.1413; 10.11618 90; 91.553; 90 | 4600.86 | Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science, 2022, 13, 2317-2323 |
| 1566269 | CIF | Ba K2 P2 S6 | P n a 21 | 12.3592; 14.4324; 6.7939 90; 90; 90 | 1211.8 | Nguyen, Vivian; Ji, Bingheng; Wu, Kui; Zhang, Bingbing; Wang, Jian Unprecedented Mid-Infrared Nonlinear Optical Materials Achieved by Crystal Structure Engineering, a Case Study of (KX)P2S6(X=Sb, Bi, Ba) Chemical Science, 2022 |
| 1566270 | CIF | C20 H32 Cu Mo2 N8 O7 | P -1 | 8.8009; 9.6826; 10.4994 112.804; 93.996; 114.554 | 721.23 | Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation Energy & Fuels, 2022, 36, 1665-1675 |
| 1566271 | CIF | C24 H40 Cu Mo4 N8 O13 | P -1 | 10.9545; 14.0136; 14.1643 112.531; 105.692; 100.281 | 1833.7 | Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation Energy & Fuels, 2022, 36, 1665-1675 |
| 1566272 | CIF | C36 H58 Cl2 Cu N12 | P 1 21/c 1 | 8.149; 17.0301; 16.8649 90; 101.629; 90 | 2292.4 | Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation Energy & Fuels, 2022, 36, 1665-1675 |
| 1566273 | CIF | C28 H48 Cu Mo4 N8 O13 | P -1 | 11.261; 14.1964; 14.56 67.177; 71.068; 78.144 | 2020.9 | Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation Energy & Fuels, 2022, 36, 1665-1675 |
| 1566274 | CIF | C24 H18 Fe O2 | F d d 2 | 11.3424; 25.8718; 11.9601 90; 90; 90 | 3509.67 | Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science, 2022, 13, 2877-2883 |
| 1566275 | CIF | C69 H75 Cl9 Fe3 N6 O0.39 | P -1 | 13.1378; 16.3059; 19.0267 97.399; 93.732; 113.532 | 3675.33 | Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science, 2022, 13, 2877-2883 |
| 1566276 | CIF | C113 H114 Cl18 Fe3 N6 | P -1 | 16.0318; 17.0394; 21.0388 102.395; 99.882; 91.283 | 5519.49 | Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science, 2022, 13, 2877-2883 |
| 1566277 | CIF | C75 H58 Fe3 N8 O0.5 | P -1 | 10.8575; 16.0366; 19.8722 107.932; 90.985; 106.814 | 3129.76 | Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science, 2022, 13, 2877-2883 |
| 1566278 | CIF | C187 H120 F9 N62 Nd O57.5 S3 Zn16 | P 4/n c c :2 | 29.7978; 29.7978; 27.541 90; 90; 90 | 24453.9 | Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range. Chemical science, 2022, 13, 2919-2931 |
| 1566279 | CIF | C187 H124.5 F9 N56 O47 S3 Yb Zn16 | P 4/n c c :2 | 30.0778; 30.0778; 26.9277 90; 90; 90 | 24360.8 | Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range. Chemical science, 2022, 13, 2919-2931 |
| 1566280 | CIF | C20 H14 N2 O S | P 1 21/c 1 | 15.662; 10.0274; 10.2923 90; 104.545; 90 | 1564.59 | Gao, Yang; Yang, Simin; She, Minwei; Nie, Jianhong; Huo, Yanping; Chen, Qian; Li, Xianwei; Hu, Xiao-Qiang Practical synthesis of 3-aryl anthranils via an electrophilic aromatic substitution strategy Chemical Science, 2022 |
| 1566281 | CIF | C43 H62 F6 N4 O5.5 P | P -1 | 13.1015; 13.9905; 14.3129 103.697; 99.4485; 117.548 | 2142.83 | Guillou, Amaury; Nisli, Eda; Klingler, Simon; Linden, Anthony; Holland, Jason P. Photoactivatable Fluorescent Tags for Dual-Modality Positron Emission Tomography Optical Imaging. Journal of medicinal chemistry, 2022, 65, 811-823 |
| 1566282 | CIF | C32 H34 O11 | P 1 | 7.3468; 9.587; 10.3986 71.686; 80.813; 86.65 | 686.37 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566283 | CIF | C33 H40 O14 | P 1 | 7.2806; 9.8268; 11.0309 85.062; 88.911; 86.614 | 784.83 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566284 | CIF | C32 H34 O12 | P 1 21 1 | 14.3066; 7.5865; 14.8171 90; 113.339; 90 | 1476.62 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566285 | CIF | C36 H42 O14 | P 21 21 21 | 7.4273; 17.5037; 25.5651 90; 90; 90 | 3323.6 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566286 | CIF | C36 H42 O14 | P 1 21 1 | 10.0366; 10.7583; 15.9163 90; 95.435; 90 | 1710.86 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
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