Crystallography Open Database
Search results
Result: there are 170 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Chemistry of Materials' volume of publication is 31
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 4002961 | CIF | C87 H54 F9 N7 | P 1 21/c 1 | 23.7795; 31.6796; 28.2823 90; 105.925; 90 | 20488.1 | Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials, 2019, 31, 6684 |
| 4002962 | CIF | C51 H33 F9 N4 | P 1 21/n 1 | 11.597; 11.7168; 30.9436 90; 94.632; 90 | 4190.9 | Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials, 2019, 31, 6684 |
| 4002963 | CIF | C85 H53 Cl8 N7 | P -1 | 13.5152; 15.9168; 16.6423 85.84; 81.097; 87.662 | 3526 | Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials, 2019, 31, 6684 |
| 4002964 | CIF | C48 H30 F18 N4 | P -1 | 8.8469; 14.7416; 17.2028 78.926; 75.5208; 78.6689 | 2105.66 | Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials, 2019, 31, 6684 |
| 4002965 | CIF | C78 H48 N4 | P -1 | 12.6152; 13.4441; 17.6978 103.975; 108.229; 99.666 | 2668.3 | Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials, 2019, 31, 6684 |
| 4002966 | CIF | C80.5 H59 Cl11 N4 | P -1 | 13.2691; 17.2803; 17.4319 83.5287; 71.3655; 75.6091 | 3666.2 | Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials, 2019, 31, 6684 |
| 4002967 | CIF | C32 H24 I3 N5 Pb | I 1 a 1 | 8.0302; 42.395; 9.439 90; 97.458; 90 | 3186.23 | Marchal, Nadège; Van Gompel, Wouter; Gélvez-Rueda, María C.; Vandewal, Koen; Van Hecke, Kristof; Boyen, Hans-Gerd; Conings, Bert; Herckens, Roald; Maheshwari, Sudeep; Lutsen, Laurence; Quarti, Claudio; Grozema, Ferdinand C.; Vanderzande, Dirk; Beljonne, David Lead-Halide Perovskites Meet Donor‒Acceptor Charge-Transfer Complexes Chemistry of Materials, 2019, 31, 6880 |
| 4002968 | CIF | C12 H10 Se4 | P 1 21/c 1 | 8.60863; 14.2697; 5.32468 90; 100.651; 90 | 642.83 | Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties Chemistry of Materials, 2019, 31, 6696 |
| 4002969 | CIF | C12 H10 S2 Se2 | P b c a | 14.5203; 5.27442; 15.8554 90; 90; 90 | 1214.3 | Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties Chemistry of Materials, 2019, 31, 6696 |
| 4002970 | CIF | C12 H10 S2 Se2 | P -1 | 5.32021; 7.28902; 8.31911 81.0598; 80.9249; 71.7042 | 300.53 | Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties Chemistry of Materials, 2019, 31, 6696 |
| 4002971 | CIF | C12 H10 Se4 | P 1 21/c 1 | 8.4327; 13.6718; 5.46391 90; 99.7583; 90 | 620.82 | Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties Chemistry of Materials, 2019, 31, 6696 |
| 4002972 | CIF | C14 H14 Se | P 21 21 21 | 7.13182; 7.33176; 22.8392 90; 90; 90 | 1194.23 | Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials, 2019, 31, 6598 |
| 4002973 | CIF | C14 H12 Se | P 1 21/c 1 | 9.74881; 6.68747; 16.9645 90; 90.755; 90 | 1105.9 | Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials, 2019, 31, 6598 |
| 4002974 | CIF | C22 H12 Br2 N2 O2 Se | C m c 21 | 6.64274; 18.4437; 16.9726 90; 90; 90 | 2079.43 | Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials, 2019, 31, 6598 |
| 4002975 | CIF | C22 H12 Br2 N2 O2 S | C m c 21 | 6.6092; 18.3407; 16.8277 90; 90; 90 | 2039.81 | Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials, 2019, 31, 6598 |
| 4002976 | CIF | C22 H12 Cl2 N2 O2 Se | P -1 | 6.6291; 9.706; 16.5873 77.051; 88.795; 72.485 | 990.66 | Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials, 2019, 31, 6598 |
| 4002977 | CIF | C6 H24 Bi2 I10 N4 O2 | P 31 2 1 | 14.7769; 14.7769; 13.6748 90; 90; 120 | 2585.9 | Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip; Krishna, Swathi; Nair, Vijayakumar C. Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure Chemistry of Materials, 2019, 31, 1941 |
| 4002978 | CIF | Ga2 Li Rh | F m -3 m | 5.9997; 5.9997; 5.9997 90; 90; 90 | 215.97 | Carnicom, Elizabeth M.; Xie, Weiwei; Yang, Zoe; Górnicka, Karolina; Kong, Tai; Klimczuk, Tomasz; Cava, Robert J. Importance of Specific Heat Characterization when Reporting New Superconductors: An Example of Superconductivity in LiGa2Rh Chemistry of Materials, 2019, 31, 2164 |
| 4002979 | CIF | C3 H0 Br Cs0 Lu8 N0 O25 Zn0 | P 63 | 9.344; 9.344; 14.498 90; 90; 120 | 1096.2 | Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2019, 31, 2130 |
| 4002980 | CIF | C3 H0 Br Cs0 N0 O25 Y8 Zn0 | P 63 | 9.4927; 9.4927; 14.752 90; 90; 120 | 1151.2 | Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2019, 31, 2130 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!

