Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108494 | CIF HKL | C16 H11 Cl N2 O2 | P 1 21/c 1 | 4.3746; 30.823; 9.855 90; 93.225; 90 | 1326.7 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108495 | CIF HKL | C16 H11 Br N2 O2 | P 1 21/c 1 | 4.1661; 31.0277; 10.4434 90; 92.933; 90 | 1348.19 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108496 | CIF HKL | C16 H11 Br N2 O2 | P 1 21/c 1 | 6.9397; 10.2611; 20.7644 90; 96.919; 90 | 1467.84 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108497 | CIF HKL | C16 H11 I N2 O2 | P 1 21/c 1 | 6.9395; 10.2583; 20.7605 90; 96.931; 90 | 1467.09 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108498 | CIF HKL | C17 H14 N2 O3 | P 1 21/c 1 | 6.9921; 10.1424; 20.862 90; 99.57; 90 | 1458.9 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108499 | CIF HKL Paper | C16 H22 Cl3 N3 O2 | C 1 2/c 1 | 23.0502; 6.7836; 25.4596 90; 114.262; 90 | 3629.33 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions Acta Crystallographica Section B, 2019, 75 |
| 2108500 | CIF HKL Paper | C16 H24 Cl3 N3 O3 | P 1 21/c 1 | 4.649; 47.213; 8.9051 90; 96.222; 90 | 1943.1 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions Acta Crystallographica Section B, 2019, 75 |
| 2108501 | CIF HKL Paper | C16 H22 Cl3 N3 O2 | P 1 21/c 1 | 4.722; 45.671; 8.798 90; 97.66; 90 | 1880 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions Acta Crystallographica Section B, 2019, 75 |
| 2108502 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5177; 9.5177; 7.538 90; 90; 120 | 591.36 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108503 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5245; 9.5245; 7.5481 90; 90; 120 | 592.997 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108504 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5291; 9.5291; 7.5601 90; 90; 120 | 594.514 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108505 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5301; 9.5301; 7.5615 90; 90; 120 | 594.749 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108506 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5351; 9.5351; 7.5633 90; 90; 120 | 595.515 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108507 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5349; 9.5349; 7.5641 90; 90; 120 | 595.553 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108508 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5359; 9.5359; 7.5659 90; 90; 120 | 595.82 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108509 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5364; 9.5364; 7.5677 90; 90; 120 | 596.02 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108510 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5394; 9.5394; 7.5693 90; 90; 120 | 596.525 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108511 | CIF HKL | C6 H9 N3 O3 | P 1 21/c 1 | 6.8785; 8.6396; 12.8573 90; 94.351; 90 | 761.875 | Kalaiarasi, Chinnasamy; Christy, George; Gonnade, Rajesh G.; Hathwar, Venkatesha R.; Kumaradhas, Poomani Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole Acta Crystallographica Section B, 2019, 75 |
| 2108512 | CIF HKL | C21 H23 N O4 | P 21 21 21 | 7.2015; 12.2326; 21.3487 90; 90; 90 | 1880.67 | Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan Agomelatine–hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship Acta Crystallographica Section B, 2019, 75 |
| 2108513 | CIF HKL | C21 H23 N O4 | P 1 21 1 | 7.333; 29.3095; 8.8046 90; 94.748; 90 | 1885.85 | Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan Agomelatine–hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship Acta Crystallographica Section B, 2019, 75 |
| 2108514 | CIF HKL | C18 H12 N6 | I 1 2/a 1 | 21.3047; 3.7345; 35.1825 90; 93.364; 90 | 2794.4 | Yuan, Liangqian; Xing, Mengyao; Pan, Fangfang Polymorphs of 2,4,6-tris(4-pyridyl)-1,3,5-triazine and their mechanical properties Acta Crystallographica Section B, 2019, 75 |
| 2108515 | CIF HKL Paper | C7 H9 Br N2 O2 | P 1 21/m 1 | 8.5689; 6.4113; 8.8248 90; 110.2; 90 | 455 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108516 | CIF HKL | C7 H9 I N2 O2 | P -1 | 6.5954; 8.7764; 8.8564 72.14; 84.002; 81.83 | 481.98 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108517 | CIF HKL | C7 H9 N3 O5 | P 1 21/m 1 | 8.1234; 6.6252; 8.5799 90; 98.712; 90 | 456.44 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108518 | CIF HKL | C7 H9 Cl N2 O2 | P -1 | 7.9756; 7.9803; 28.2986 84.468; 84.229; 89.897 | 1783.61 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108519 | CIF HKL | C7 H10 N2 O6 S | P n a 21 | 12.8927; 4.97471; 31.5518 90; 90; 90 | 2023.65 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108520 | CIF HKL | C7 H10 I3 N2 O2.5 | P 1 21/c 1 | 11.2876; 13.9536; 17.5279 90; 96.808; 90 | 2741.23 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108521 | CIF HKL | Cu6 H16 O21 S2 Zn | P 3 | 8.1905; 8.1905; 7.099 90; 90; 120 | 412.43 | Elliott, Peter Hodgesmithite, (Cu,Zn)~6~Zn(SO~4~)~2~(OH)~10~·3H~2~O, a new copper zinc sulfate mineral with a unique, decorated, interrupted-sheet structure Acta Crystallographica Section B, 2019, 75 |
| 2108522 | CIF HKL Paper | C24 H40 Cl N5 O7 S | P 1 21/c 1 | 16.638; 12.0355; 15.4979 90; 107.668; 90 | 2957.02 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108523 | CIF HKL | C23 H37 Cl N4 O6 S2 | P -1 | 8.0881; 11.276; 16.2993 98.21; 95.377; 101.106 | 1432.44 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108524 | CIF HKL | C23 H37 Cl N4 O6 S2 | P -1 | 10.4385; 10.7052; 14.2725 90.444; 95.087; 113.92 | 1450.5 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108525 | CIF HKL | C23 H39 Cl N4 O7 S2 | P 1 21/c 1 | 16.508; 11.873; 15.442 90; 103.917; 90 | 2937.8 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108526 | CIF HKL | C50 H82 Cl2 N8 O14 S4 | P -1 | 11.55; 15.6355; 18.5836 93.782; 99.353; 105.965 | 3161.9 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108527 | CIF HKL | C40 H36 N2 S5 Si2 | P -1 | 10.0612; 14.6933; 14.3275 72.2555; 71.6334; 87.9619 | 1910.25 | Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A. Highly luminescent crystals of a novel linear π-conjugated thiophene‒phenylene co-oligomer with a benzothiadiazole fragment Acta Crystallographica Section B, 2019, 75 |
| 2108528 | CIF HKL | C40 H36 N2 S5 Si2 | P -1 | 9.805; 14.4191; 14.4368 72.3867; 72.9136; 87.8897 | 1856.5 | Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A. Highly luminescent crystals of a novel linear π-conjugated thiophene–phenylene co-oligomer with a benzothiadiazole fragment Acta Crystallographica Section B, 2019, 75 |
| 2108529 | CIF HKL Paper | C39 H31.4 Cu2 N5 O12.7 S2 | P 1 21/n 1 | 11.1292; 18.8549; 19.3898 90; 99.51; 90 | 4012.8 | Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions Acta Crystallographica Section B, 2019, 75 |
| 2108530 | CIF HKL | C38 H37 Cu2 N5 O14 S2 | P 1 21/c 1 | 11.123; 23.956; 16.026 90; 107.374; 90 | 4075 | Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions Acta Crystallographica Section B, 2019, 75 |
| 2108539 | CIF HKL | Al9.12 Ca5.98 Fe30.7 Mg5.34 O72 Si0.86 | P -1 | 10.3279; 10.434; 14.3794 93.4888; 107.321; 109.663 | 1370.49 | Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone Acta Crystallographica Section B, 2019, 75 |
| 2108540 | CIF | Al18.241 Ca11.96 Fe61.4 Mg10.68 O144 Si1.72 | P 1 21/n 1 | 10.3277; 27.0134; 10.4344 90; 109.668; 90 | 2741.22 | Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone Acta Crystallographica Section B, 2019, 75 |
| 2108541 | CIF HKL | F7 H12 N5 O Ru Si | P 1 n 1 | 6.7036; 7.426; 10.1296 90; 107.469; 90 | 481 | Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes Acta Crystallographica Section B, 2019, 75 |
| 2108542 | CIF HKL | F6 H12 N3 O Ta | F m -3 m | 9.331; 9.331; 9.331 90; 90; 90 | 812.427 | Udovenko, Anatoly A.; Laptash, Natalia M. Ammonium tantalum oxide fluorides: new features of dynamic disorder Acta Crystallographica Section B, 2019, 75 |
| 2108543 | CIF HKL | F7.66 H12 N3 O0.17 Ta | R -3 m :H | 8.5414; 8.5414; 41.4381 90; 90; 120 | 2618.11 | Udovenko, Anatoly A.; Laptash, Natalia M. Ammonium tantalum oxide fluorides: new features of dynamic disorder Acta Crystallographica Section B, 2019, 75 |
| 2108544 | CIF HKL | F7.5 H11 N2.75 O0.125 Ta | P n m a | 11.5018; 8.5736; 33.4597 90; 90; 90 | 3299.52 | Udovenko, Anatoly A.; Laptash, Natalia M. Ammonium tantalum oxide fluorides: new features of dynamic disorder Acta Crystallographica Section B, 2019, 75 |
| 2108545 | CIF HKL | F7.5 H11 N2.75 O0.125 Ta | P 1 21/c 1 | 35.0618; 8.5377; 22.7987 90; 108.991; 90 | 6453.3 | Udovenko, Anatoly A.; Laptash, Natalia M. Ammonium tantalum oxide fluorides: new features of dynamic disorder Acta Crystallographica Section B, 2019, 75 |
| 2108546 | CIF HKL | F7 H8 N2 Ta | P 4/n m m :2 | 5.8613; 5.8613; 10.5817 90; 90; 90 | 363.53 | Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M. Fluxional seven-coordinated fluorido- and oxofluoridotantalates Acta Crystallographica Section B, 2019, 75 |
| 2108547 | CIF HKL | F7 Rb2 Ta | C m m a | 8.2419; 8.2749; 10.5694 90; 90; 90 | 720.84 | Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M. Fluxional seven-coordinated fluorido- and oxofluoridotantalates Acta Crystallographica Section B, 2019, 75 |
| 2108548 | CIF HKL | F7 Rb2 Ta | P 4/n m m :2 | 5.9118; 5.9118; 10.6173 90; 90; 90 | 371.07 | Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M. Fluxional seven-coordinated fluorido- and oxofluoridotantalates Acta Crystallographica Section B, 2019, 75 |
| 2108549 | CIF HKL | F6 O Rb3 Ta | F m -3 m | 9.1842; 9.1842; 9.1842 90; 90; 90 | 774.68 | Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M. Fluxional seven-coordinated fluorido- and oxofluoridotantalates Acta Crystallographica Section B, 2019, 75 |
| 2108550 | CIF HKL | C5 H15 Fe N2 O12 S2 | C 1 2/c 1 | 12.1601; 17.2511; 6.7758 90; 100.715; 90 | 1396.61 | Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~] Acta Crystallographica Section B, 2019, 75 |
| 2108551 | CIF HKL | C5 H15 Fe N2 O12 S2 | C 1 2/c 1 | 12.175; 17.217; 6.769 90; 100.87; 90 | 1393.4 | Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~] Acta Crystallographica Section B, 2019, 75 |
| 2108552 | CIF HKL | C5 H15 Fe N2 O12 S2 | P -1 | 10.516; 11.873; 13.099 65.34; 77.51; 68.73 | 1381 | Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~] Acta Crystallographica Section B, 2019, 75 |
| 2108553 | CIF HKL Paper | B Cs H2 O8 P2 | I 1 2/a 1 | 13.4002; 7.4869; 14.5329 90; 90.059; 90 | 1458.03 | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties Acta Crystallographica Section B, 2019, 75 |
| 2108554 | CIF HKL | B Cs0.51 H4.9 Mn1.17 O10.45 P2 | P 61 2 2 | 9.6292; 9.6292; 15.8051 90; 90; 120 | 1269.14 | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties Acta Crystallographica Section B, 2019, 75 |
| 2108555 | CIF HKL | B Cs H Mn O9 P2 | P 1 21/c 1 | 9.1494; 8.6991; 9.6413 90; 100.141; 90 | 755.38 | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties Acta Crystallographica Section B, 2019, 75 |
| 2108556 | CIF HKL | C64 H60 N6 O6 | P -1 | 8.0448; 9.9408; 17.371 104.203; 90.628; 91.751 | 1345.9 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108557 | CIF HKL | C38 H32 N4 O3 | P 1 21/c 1 | 8.9669; 36.365; 9.6042 90; 94.898; 90 | 3120.3 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108558 | CIF HKL | C38 H32 N4 O3 | P -1 | 9.718; 12.072; 15.426 72.697; 72.681; 67.465 | 1560.9 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108559 | CIF HKL | C26 H22 N2 O3 | P 1 21/c 1 | 24.4184; 6.5303; 12.7495 90; 90.172; 90 | 2033 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108560 | CIF HKL | C67 H60 N6 O7 | P -1 | 12.215; 15.89; 17.769 114.901; 92.443; 111.284 | 2835.9 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108561 | CIF HKL | C33 H31 N3 O4 | P -1 | 11.765; 11.892; 12.314 95.213; 111.706; 114.134 | 1400 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108562 | CIF HKL | C34 H28 N8 O3 | C 1 2/c 1 | 17.606; 7.969; 42.568 90; 97.006; 90 | 5928 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108563 | CIF HKL Paper | C18 H14 Cl2 N2 O | P 1 21/c 1 | 11.351; 16.259; 9.589 90; 107.41; 90 | 1688.6 | Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity Acta Crystallographica Section B, 2019, 75 |
| 2108564 | CIF HKL | C18 H14 F2 N2 O | P b c a | 11.984; 9.537; 26.808 90; 90; 90 | 3063.9 | Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity Acta Crystallographica Section B, 2019, 75 |
| 2108565 | CIF HKL | C18 H12 Cl4 N2 O | P -1 | 4.4932; 10.9707; 18.786 76.483; 83.305; 78.976 | 881.25 | Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity Acta Crystallographica Section B, 2019, 75 |
| 2108566 | CIF HKL | C7 H7.75 N Na O4.875 S | P 1 21/n 1 | 18.6212; 28.4622; 29.1642 90; 93.4511; 90 | 15429 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
| 2108567 | CIF HKL | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6212; 7.11555; 29.1642 90; 93.4511; 90 | 3857.25 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
| 2108568 | CIF HKL | C11 H9 N O S | P 1 21/c 1 | 15.0288; 5.3086; 24.444 90; 99.133; 90 | 1925.47 | Sweeting, Stephen G.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Warren, Stephen D.; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Hall, Simon R. The solubility and stability of heterocyclic chalcones compared with <i>trans</i>-chalcone Acta Crystallographica Section B, 2020, 76 |
| 2108569 | CIF HKL Paper | Cd41 Ir8 | R -3 :H | 14.896; 14.896; 16.0338 90; 90; 120 | 3081.1 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108570 | CIF HKL Paper | Cd86.45 Cu7.147 Ir7.318 | F -4 3 m | 19.9445; 19.9445; 19.9445 90; 90; 90 | 7933.6 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108571 | CIF HKL Paper | Cd86.366 Cu7.584 Ir6.698 | F -4 3 m | 19.922; 19.922; 19.922 90; 90; 90 | 7907 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108572 | CIF HKL Paper | Cd81.199 Cu15.659 Ir5.873 | F -4 3 m | 19.785; 19.785; 19.785 90; 90; 90 | 7744.8 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108573 | CIF HKL Paper | Cd81.64 Cu15.796 Ir5.306 | F -4 3 m | 19.8332; 19.8332; 19.8332 90; 90; 90 | 7801.5 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108574 | CIF HKL Paper | Cd80.144 Cu17.218 Ir5.638 | F -4 3 m | 19.7041; 19.7041; 19.7041 90; 90; 90 | 7650.1 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108575 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.1928; 5.4539; 20.07 90; 91.47; 90 | 896 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108576 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.24; 5.4015; 19.519 90; 91.55; 90 | 868 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108577 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.305; 5.1839; 24.94 90; 96.25; 90 | 810 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108578 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3679; 5.1671; 24.58 90; 96.25; 90 | 804 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108579 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.341; 5.1594; 24.52 90; 96.05; 90 | 798 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108580 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.171; 5.3995; 19.515 90; 92; 90 | 860.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108581 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3608; 5.183; 24.75 90; 96.66; 90 | 810.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108582 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3399; 5.1789; 24.8 90; 96.58; 90 | 809 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108583 | CIF HKL Paper | C30 H44 N30 O32 V10 | P -1 | 11.3756; 11.5611; 14.0894 73.533; 67.176; 60.845 | 1481.18 | Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan Crystal engineering of an adenine–decavanadate molecular device towards label-free chemical sensing and biological screening Acta Crystallographica Section B, 2020, 76 |
| 2108584 | CIF HKL | C8 H7 N O3 | P 1 21/c 1 | 8.7958; 7.5909; 10.8134 90; 104.722; 90 | 698.29 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
| 2108585 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 8.74; 10.989; 9.736 90; 90.75; 90 | 935 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
| 2108586 | CIF HKL | C10 H11 N O3 | P -1 | 7.8898; 8.5729; 14.2922 88.333; 89.646; 73.099 | 924.56 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
| 2108587 | CIF HKL | C9 H9 N O4 | P 1 21/n 1 | 11.6065; 7.3059; 20.0511 90; 99.977; 90 | 1674.54 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
| 2108588 | CIF HKL | C24 H14 Cu N6 O12 | P 1 21/c 1 | 11.2998; 25.77; 9.3086 90; 111.894; 90 | 2515.1 | Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J. Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes Acta Crystallographica Section B, 2020, 76 |
| 2108589 | CIF HKL | C52 H28 Cu2 N12 O24 | P 1 21/c 1 | 11.285; 26.65; 9.4293 90; 111.31; 90 | 2641.9 | Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J. Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes Acta Crystallographica Section B, 2020, 76 |
| 2108590 | CIF HKL Paper | C25 H44 Cl N O10 | P 21 21 21 | 16.3296; 16.3759; 31.1186 90; 90; 90 | 8321.5 | Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form Acta Crystallographica Section B, 2020, 76 |
| 2108591 | CIF HKL | C28 H50 Cu N6 O7 | P -1 | 10.946; 12.502; 13.029 70.34; 79.99; 73.06 | 1600.5 | Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand Acta Crystallographica Section B, 2020, 76 |
| 2108592 | CIF HKL | C30 H52 Cu N6 O6 | P b c n | 11.386; 14.063; 21.427 90; 90; 90 | 3430.9 | Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand Acta Crystallographica Section B, 2020, 76 |
| 2108593 | CIF HKL | C60 H80 O46 | P -1 | 10.2989; 14.3586; 14.5679 115.521; 103.49; 100.116 | 1794.4 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
| 2108594 | CIF HKL | C30 H40 O20 | P -1 | 7.5073; 8.0208; 14.723 77.133; 79.494; 84.408 | 848.29 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
| 2108595 | CIF HKL Paper | C34 H44 Mg N6 O10 S2 | P 1 21/c 1 | 17.475; 8.051; 14.19 90; 109.91; 90 | 1877.1 | Abouhakim, Hanane; Nilsson Lill, Sten O.; Quayle, Michael J.; Norberg, Stefan T.; Hassanpour, Ali; Pask, Christopher M. The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate Acta Crystallographica Section B, 2020, 76 |
| 2108596 | CIF | C10 H8 N4 O5 | P 1 21/c 1 | 11.67; 11.4666; 8.494 90; 106.848; 90 | 1087.8 | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography Acta Crystallographica Section B, 2020, 76 |
| 2108597 | CIF HKL | C20 H16 N8 O10 | P -1 | 22.183; 12.546; 5.3092 51.074; 92.16; 97.31 | 1138.5 | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography Acta Crystallographica Section B, 2020, 76 |
| 2108598 | CIF HKL | C21 H14 N2 O2 | P -1 | 3.82563; 6.50848; 15.2148 89.522; 91.9447; 101.226 | 371.37 | Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U. Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations Acta Crystallographica Section B, 2020, 76 |
| 2108599 | CIF | C24 H22 F4 Si2 | P 1 21/c 1 | 6.7352; 14.8514; 23.3648 90; 94.735; 90 | 2329.1 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
| 2108600 | CIF HKL Paper | C24 H22 F4 Si2 | P 1 21/c 1 | 6.905; 14.948; 23.66 90; 94.82; 90 | 2433.5 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
| 2108601 | CIF HKL | C36 H50 Si2 | P -1 | 8.602; 10.085; 11.209 115.07; 102.61; 98.82 | 825.6 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
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