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 |
|---|---|---|---|---|---|---|
| 2108394 | CIF HKL | C17 H10 O | P -1 | 6.92715; 8.3336; 10.4706 109.898; 98.979; 100.773 | 542.32 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108395 | CIF HKL | C17 H10 O | P -1 | 6.7049; 8.1989; 10.329 109.691; 99.378; 100.628 | 509.66 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108396 | CIF HKL | C17 H10 O | P -1 | 6.695; 8.1846; 10.306 109.649; 99.384; 100.652 | 506.97 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108397 | CIF HKL | C17 H10 O | P -1 | 6.6139; 8.1151; 10.272 109.439; 99.563; 100.637 | 495.3 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108398 | CIF HKL | C17 H10 O | P -1 | 6.6007; 8.1331; 10.232 109.52; 99.88; 100.617 | 492.5 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108399 | CIF HKL | C17 H10 O | P -1 | 6.477; 8.041; 10.205 109.37; 99.57; 100.71 | 477.6 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108400 | CIF HKL | C26 H12 N4 O2 | P 1 21/c 1 | 13.119; 4.777; 27.3921 90; 95.8533; 90 | 1707.7 | Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties Acta Crystallographica Section B, 2019, 75 |
| 2108401 | CIF HKL | C26 H12 N4 O2 | P 1 21/c 1 | 16.971; 7.3707; 14.0809 90; 94.09; 90 | 1756.9 | Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties Acta Crystallographica Section B, 2019, 75 |
| 2108402 | CIF HKL | C24 H22 Cl2 N2 O2 | I 1 2/a 1 | 18.1075; 14.16642; 18.5436 90; 117.163; 90 | 4232.16 | So, Hee-Soo; Matsumoto, Shinya Three differently coloured polymorphs of 3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione Acta Crystallographica Section B, 2019, 75 |
| 2108403 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108404 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108405 | CIF | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108406 | CIF HKL | C26 H19 P S | P -1 | 10.227; 12.324; 17.353 101.55; 91.23; 112.04 | 1975 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108407 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108408 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108409 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108410 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108411 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108412 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108413 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108414 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108415 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108416 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108417 | CIF HKL | C6 H16 N2 O6 | P 1 21/c 1 | 10.1517; 11.96; 8.9955 90; 114.322; 90 | 995.25 | Gomathi, V.; Theivarasu, C. Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts Acta Crystallographica Section B, 2019, 75, 449-458 |
| 2108418 | CIF HKL | C10 H14 N2 O5 | P 1 21/n 1 | 8.3828; 23.9943; 17.2844 90; 98.635; 90 | 3437.2 | Gomathi, V.; Theivarasu, C. Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts Acta Crystallographica Section B, 2019, 75, 449-458 |
| 2108419 | CIF HKL | C10 H22 N4 O8 | P 1 21/n 1 | 5.1027; 16.024; 8.7273 90; 94.459; 90 | 711.43 | Gomathi, V.; Theivarasu, C. Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts Acta Crystallographica Section B, 2019, 75, 449-458 |
| 2108420 | CIF HKL | C18 H16 Cl2 Co N4 | P c a 21 | 14.8764; 8.9742; 26.8271 90; 90; 90 | 3581.5 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108421 | CIF HKL | C18 H16 Co I2 N4 | C 1 2/c 1 | 7.5817; 18.625; 14.2346 90; 100.448; 90 | 1976.7 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108422 | CIF HKL | C18 H16 Co N6 O6 | P 1 21/c 1 | 9.4982; 14.9627; 14.5081 90; 107.938; 90 | 1961.6 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108423 | CIF HKL | C20 H16 Co N6 S2 | I 1 2/a 1 | 17.5108; 13.8088; 18.915 90; 114.745; 90 | 4153.7 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108424 | CIF HKL | C38 H37 Co I2 N9 O | P n n 2 | 11.355; 12.68; 13.4516 90; 90; 90 | 1936.8 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108425 | CIF HKL | C38 H37 Co N11 O7 | P n n 2 | 11.3655; 12.5153; 13.6247 90; 90; 90 | 1938.01 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108426 | CIF HKL | C40 H40 Co N10 O2 S2 | P -1 | 8.6822; 9.457; 13.6578 103.023; 95.901; 107.217 | 1026.15 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108427 | CIF HKL | C20 H16 Co N6 S2 | C 1 2/c 1 | 24.4747; 5.5932; 14.8644 90; 94.172; 90 | 2029.4 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108428 | CIF | C149 N30 O78 S6 | P 21 21 21 | 18.5453; 30.1766; 39.798 90; 90; 90 | 22272 | Fili, Stavroula; Valmas, Alexandros; Spiliopoulou, Maria; Kontou, Paraskevi; Fitch, Andrew; Beckers, Detlef; Degen, Thomas; Barlos, Kleomenis; Barlos, Kostas K.; Karavassili, Fotini; Margiolaki, Irene Revisiting the structure of a synthetic somatostatin analogue for peptide drug design Acta Crystallographica Section B, 2019, 75 |
| 2108429 | CIF HKL | C5 H7 Cl4 N2 Sb | C 1 2/c 1 | 13.4747; 12.9393; 7.7611 90; 123.733; 90 | 1125.34 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108430 | CIF HKL | C5 H7 Cl4 N2 Sb | C 1 2/c 1 | 13.3923; 12.815; 7.8256 90; 123.735; 90 | 1116.9 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108431 | CIF HKL | C5 H7 Cl4 N2 Sb | C 1 c 1 | 13.33; 12.69; 7.87 90; 123.8; 90 | 1106 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108432 | CIF HKL | C5 H7 Cl4 N2 Sb | C 1 c 1 | 13.3; 12.66; 7.89 90; 123.8; 90 | 1104 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108433 | CIF HKL | C5 H7 Cl4 N2 Sb | P 1 21/n 1 | 13.208; 12.526; 7.9251 90; 123.914; 90 | 1088.1 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108434 | CIF HKL | C2 H6 N4 S | P -1 | 6.9149; 7.0012; 12.3713 90.881; 104.312; 101.783 | 566.74 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108435 | CIF HKL | C10 H16 N18 S | P -1 | 9.8299; 9.8507; 10.2105 64.634; 78.716; 87.703 | 875.04 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108436 | CIF HKL | C6 H9.67 N11 | P 1 21/c 1 | 3.534; 28.13; 10.698 90; 97.025; 90 | 1055.5 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108437 | CIF HKL | C6 H8 N10 | P 1 21/c 1 | 6.032; 7.796; 10.531 90; 105.9; 90 | 476.28 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108438 | CIF HKL | C7 H15 N13 O S | P -1 | 11.1348; 12.1287; 13.1868 63.474; 71.339; 63.549 | 1410.2 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108439 | CIF Paper | Mn13 Na3.98 O26 | C 1 2/m 1 | 22.5199; 2.83987; 14.8815 90; 105.092; 90 | 918.9 | Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel (Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction. Acta Crystallographica, Section B, 2016, 72, 893-903 |
| 2108440 | CIF Paper | Mn13 Na3.94 O26 | C 1 2/m 1 | 22.6338; 2.8255; 14.9075 90; 104.599; 90 | 922.58 | Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel (Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction. Acta Crystallographica, Section B, 2016, 72, 893-903 |
| 2108441 | CIF HKL Paper | C31 H26 Cl2 N4 O4 | P 1 21/c 1 | 7.47882; 26.0041; 14.78241 90; 102.507; 90 | 2806.66 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108442 | CIF HKL Paper | C31 H28 Cl2 N4 O4 | P -1 | 10.6376; 12.2781; 12.7975 90.079; 113.211; 108.284 | 1443.58 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108443 | CIF HKL Paper | C36.79 H31.18 Cl2 N6.39 O3 S | P -1 | 7.997; 13.5824; 16.6638 80.214; 80.034; 83.036 | 1748.86 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108444 | CIF HKL Paper | C34 H27 Cl2 N5 O3 S | P -1 | 8.2115; 13.5327; 14.325 89.04; 88.864; 83.781 | 1582 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108445 | CIF HKL Paper | C35 H32 Cl2 N4 O5 | P -1 | 9.4861; 12.5322; 15.3641 98.415; 103.379; 110.45 | 1612.41 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108446 | CIF HKL Paper | C35 H28 Cl2 N4 O4 | P -1 | 11.799; 12.0736; 14.6803 72.472; 80.688; 72.03 | 1891.44 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108447 | CIF HKL Paper | C35 H28 Cl2 N4 O4 | P -1 | 10.4028; 10.8454; 15.4229 71.183; 73.984; 76.148 | 1561.33 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108448 | CIF HKL | C24 H16 | P 1 21/n 1 | 9.8367; 17.1456; 9.8764 90; 93.73; 90 | 1662.19 | Williams, Alice E.; Thompson, Amber L.; Watkin, David J. The role of multiple observations in small-molecule single-crystal service X-ray structure determination Acta Crystallographica Section B, 2019, 75 |
| 2108449 | CIF HKL Paper | B9 Ba6 Lu5 O27 | C 1 2/c 1 | 13.0927; 9.997; 20.4884 90; 106.827; 90 | 2566.86 | Filatov, Stanislav K.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Shablinskii, Andrey P. The novel borate Lu~5~Ba~6~B~9~O~27~ with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion Acta Crystallographica Section B, 2019, 75 |
| 2108450 | CIF | O2 Zr | P 1 21/c 1 | 5.1473; 5.20878; 5.31657 90; 99.2056; 90 | 140.708 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108451 | CIF | O2 Zr | P 1 21/c 1 | 5.14204; 5.20869; 5.30989 90; 99.1726; 90 | 140.398 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108452 | CIF | O2 Zr | P 1 21/c 1 | 5.12418; 5.20803; 5.28293 90; 99.048; 90 | 139.231 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108453 | CIF | O2 Zr | P 1 21/c 1 | 5.10541; 5.20827; 5.25387 90; 98.868; 90 | 138.032 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108454 | CIF | O2 Zr | P 1 21/c 1 | 5.09098; 5.2093; 5.23197 90; 98.706; 90 | 137.155 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108455 | CIF | O2 Zr | P 1 21/c 1 | 5.07006; 5.2095; 5.1975 90; 98.441; 90 | 135.792 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108456 | CIF | O2 Zr | P 1 21/c 1 | 5.059; 5.2097; 5.1763 90; 98.276; 90 | 135.005 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108457 | CIF HKL | As2 Hg Pb S5 | P n m a | 21.246; 4.2897; 9.5257 90; 90; 90 | 868.2 | Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H. Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula Acta Crystallographica Section B, 2019, 75 |
| 2108458 | CIF HKL | As2 Hg Pb S5 | P n m a | 21.246; 4.2897; 9.5257 90; 90; 90 | 868.2 | Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H. Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula Acta Crystallographica Section B, 2019, 75 |
| 2108459 | CIF HKL | C9 H9 N O3 | P 21 21 21 | 8.6793; 9.0674; 10.6085 90; 90; 90 | 834.87 | Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin Acta Crystallographica Section B, 2019, 75 |
| 2108460 | CIF HKL | C9 H9 N O3 | P 21 21 21 | 8.6793; 9.0674; 10.6085 90; 90; 90 | 834.87 | Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin Acta Crystallographica Section B, 2019, 75 |
| 2108461 | CIF HKL | C9 H9 N O3 | P 21 21 21 | 8.6793; 9.0674; 10.6085 90; 90; 90 | 834.87 | Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin Acta Crystallographica Section B, 2019, 75 |
| 2108462 | CIF HKL | C8 H9 N O3 | P 1 21/c 1 | 6.3704; 16.6534; 7.5759 90; 93.9516; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108463 | CIF HKL | C8 H9 N O3 | P 1 21/c 1 | 6.3704; 16.6534; 7.5759 90; 93.9516; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108464 | CIF HKL | C8 H9 N O3 | P 1 21/c 1 | 6.3704; 16.6534; 7.5759 90; 93.9516; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108465 | CIF HKL | C8 H9 N O3 | P -1 | 7.3634; 17.5614; 19.3782 68.688; 83.981; 87.9 | 2321.6 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108466 | CIF | C8 H9 N O3 | P 1 21/a 1 | 14.3673; 16.6534; 6.3704 90; 148.261; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108467 | CIF | C8 H9 N O3 | P 1 21/a 1 | 14.3673; 16.6534; 6.3704 90; 148.261; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108468 | CIF | C8 H9 N O3 | P 1 21/a 1 | 14.3673; 16.6534; 6.3704 90; 148.261; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108469 | CIF | C8 H9 N O3 | P -1 | 42.55; 21.687; 19.9952 130.368; 170.4; 48.973 | 2321 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108470 | CIF HKL | C15 H12 N2 O | P 1 21/n 1 | 7.534; 11.15; 13.917 90; 92.94; 90 | 1167.55 | Kolb, Ute; Krysiak, Yaşar; Plana-Ruiz, Sergi Automated electron diffraction tomography ‒ development and applications Acta Crystallographica Section B, 2019, 75, 463-474 |
| 2108471 | CIF HKL | C22 H24 N2 O7 S | P 1 21 1 | 8.71353; 29.496; 17.6717 90; 97.937; 90 | 4498.37 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108472 | CIF HKL | C25 H28 N2 O8.5 S | P 41 21 2 | 12.89179; 12.89179; 29.5087 90; 90; 90 | 4904.29 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108473 | CIF HKL | C25 H27 N3 O7.5 S | P 41 21 2 | 12.81222; 12.81222; 29.7274 90; 90; 90 | 4879.84 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108474 | CIF HKL | C23.5 H25 N3 O7.5 S | P 41 21 2 | 12.85808; 12.85808; 29.5715 90; 90; 90 | 4889.06 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108475 | CIF HKL | C25 H28 N2 O8.5 S | P 41 21 2 | 12.88747; 12.88747; 29.5246 90; 90; 90 | 4903.65 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108476 | CIF | C16 H10 N2 | P n a 21 | 24.316; 3.9011; 25.297 90; 90; 90 | 2399.7 | Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π–π interactions Acta Crystallographica Section B, 2019, 75 |
| 2108477 | CIF | C18 H15 N O2 | P -1 | 7.7437; 12.8797; 16.2007 108.298; 102.962; 94.992 | 1473.21 | Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π–π interactions Acta Crystallographica Section B, 2019, 75 |
| 2108478 | CIF | C19 H16 O4 | P b c a | 9.221; 9.847; 34.947 90; 90; 90 | 3173.2 | Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π–π interactions Acta Crystallographica Section B, 2019, 75 |
| 2108479 | CIF HKL | C26 H20 Cl N3 O | P -1 | 10.5741; 13.5798; 16.6564 107.731; 98.269; 106.98 | 2106.51 | Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng Solvatochromism and mechanochromism observed in a triphenylamine derivative Acta Crystallographica Section B, 2019, 75 |
| 2108480 | CIF HKL | C26 H20 Cl N3 O | P 1 21/c 1 | 15.6975; 23.7324; 12.0002 90; 102.451; 90 | 4365.4 | Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng Solvatochromism and mechanochromism observed in a triphenylamine derivative Acta Crystallographica Section B, 2019, 75 |
| 2108481 | CIF HKL | C26 H20 Eu N3 O7 S | P 1 21/c 1 | 13.9849; 13.1957; 15.1425 90; 109.763; 90 | 2629.8 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108482 | CIF HKL | C67 H58 Er4 N6 O30 S2 | C 1 2/c 1 | 39.336; 8.638; 25.594 90; 124.837; 90 | 7137.9 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108483 | CIF HKL | C67 H58 N6 O30 S2 Yb4 | C 1 2/c 1 | 39.474; 8.6567; 25.67 90; 124.895; 90 | 7195 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108484 | CIF HKL | C58 H36 N6 O15 S2 Tb2 | P 1 21/c 1 | 11.0175; 16.994; 14.608 90; 106.227; 90 | 2626.1 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108485 | CIF HKL | C58 H36 N6 O15 S2 Yb2 | P 1 21/c 1 | 11.0067; 16.9842; 14.5971 90; 106.203; 90 | 2620.4 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108486 | CIF HKL | C29 H18 Eu N3 O7 S | P 1 21/n 1 | 9.1596; 13.4942; 20.727 90; 98.039; 90 | 2536.7 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108487 | CIF HKL | C29 H18 N3 O7 S Tb | P 1 21/n 1 | 9.119; 13.463; 20.674 90; 97.756; 90 | 2514.9 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108488 | CIF HKL | C12 H14 N2 O5 | P -1 | 7.1402; 7.5689; 11.9955 98.844; 102.693; 100.077 | 610.09 | Zong, Shuyi; Wang, Jingkang; Wu, Hao; Liu, Qi; Hao, Yunhui; Huang, Xin; Wu, Dehui; Zhou, Guanchen; Hao, Hongxun Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of <i>p</i>-nitrobenzoic acid Acta Crystallographica Section B, 2019, 75 |
| 2108489 | CIF HKL Paper | Ca Cu6 O18 P4 Rb2 | C 1 2 1 | 16.8913; 5.6406; 8.3591 90; 93.919; 90 | 794.57 | Aksenov, Sergey M.; Borovikova, Elena Yu.; Mironov, Vladimir S.; Yamnova, Natalia A.; Volkov, Anatoly S.; Ksenofontov, Dmitry A.; Gurbanova, Olga A.; Dimitrova, Olga V.; Deyneko, Dina V.; Zvereva, Elena A.; Maximova, Olga V.; Krivovichev, Sergey V.; Burns, Peter C.; Vasiliev, Alexander N. Rb~2~CaCu~6~(PO~4~)~4~O~2~, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates Acta Crystallographica Section B, 2019, 75 |
| 2108490 | CIF HKL | C16 H12 N2 O2 | P -1 | 4.8281; 8.5805; 15.436 96.79; 95.002; 91.404 | 632.18 | 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 |
| 2108491 | CIF HKL | C17 H14 N2 O2 | P -1 | 4.8956; 9.6425; 14.958 103.662; 94.58; 98.382 | 673.98 | 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 |
| 2108492 | CIF HKL | C16 H11 F N2 O2 | P -1 | 4.6371; 8.957; 15.788 99.88; 96.61; 93.21 | 639.8 | 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 |
| 2108493 | CIF HKL | C16 H11 F N2 O2 | P 1 21/c 1 | 4.6995; 30.579; 8.853 90; 92.7; 90 | 1270.8 | 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 |
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