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 |
|---|---|---|---|---|---|---|
| 2108840 | CIF HKL | C8 H12 Br5 Cr N4 | C 1 2/m 1 | 14.7; 10.319; 6.308 90; 103.685; 90 | 929.7 | Dissanayaka Mudiyanselage, Ranuri S.; Kong, Tai; Xie, Weiwei Crystal growth and physical properties of an antiferromagnetic molecule: <i>trans</i>-dibromidotetrakis(acetonitrile)chromium(III) tribromide, [CrBr~2~(NCCH~3~)~4~](Br~3~) Acta Crystallographica Section B, 2021, 77 |
| 2108841 | CIF HKL Paper | H8 Mg O8 Te | I 4/m m m (a+b,-a+b,c) | 5.3282; 5.3282; 10.3363 90; 90; 90 | 293.445 | Stöger, Berthold; Krüger, Hannes; Weil, Matthias Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement Acta Crystallographica Section B, 2021, 77 |
| 2108842 | CIF HKL | H8 Mg O8 Te | I 41/a m d :1 | 5.3268; 5.3268; 20.6747 90; 90; 90 | 586.64 | Stöger, Berthold; Krüger, Hannes; Weil, Matthias Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement Acta Crystallographica Section B, 2021, 77 |
| 2108843 | CIF HKL | H8 Mg O8 Te | I 41/a :1 | 5.3282; 5.3282; 20.6725 90; 90; 90 | 586.886 | Stöger, Berthold; Krüger, Hannes; Weil, Matthias Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement Acta Crystallographica Section B, 2021, 77 |
| 2108844 | CIF HKL | H8 Mg O8 Te | I -4 2 d | 5.3282; 5.3282; 20.6725 90; 90; 90 | 586.886 | Stöger, Berthold; Krüger, Hannes; Weil, Matthias Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement Acta Crystallographica Section B, 2021, 77 |
| 2108845 | CIF HKL | Cd109.89 Mg35.29 Y24 | I m -3 | 15.4577; 15.4577; 15.4577 90; 90; 90 | 3693.47 | Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid 2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems Acta Crystallographica Section B, 2021, 77 |
| 2108846 | CIF HKL | Cd432.91 Mg177.41 Y90.4 | P a -3 | 25.0654; 25.0654; 25.0654 90; 90; 90 | 15748 | Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid 2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems Acta Crystallographica Section B, 2021, 77 |
| 2108847 | CIF HKL Paper | C6 H3 Br3 | P 1 21/c 1 | 12.9832; 8.3806; 15.5159 90; 113.276; 90 | 1550.8 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108848 | CIF HKL Paper | C6 H3 Br3 | P 1 21/c 1 | 12.8999; 8.3264; 15.4925 90; 113.204; 90 | 1529.44 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108849 | CIF HKL Paper | C6 H3 Br3 | P 1 21/c 1 | 12.7973; 8.2623; 15.4666 90; 113.102; 90 | 1504.22 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108850 | CIF HKL Paper | C6 H3 Br3 | F d d 2 | 29.408; 79.439; 3.9865 90; 90; 90 | 9313 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108851 | CIF HKL Paper | C6 H3 Br3 | F d d 2 | 29.383; 79.163; 3.9713 90; 90; 90 | 9237.4 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108852 | CIF HKL Paper | C6 H3 Br3 | F d d 2 | 29.313; 78.645; 3.932 90; 90; 90 | 9064.5 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108853 | CIF HKL Paper | C6 H3 Br3 | P 21 21 21 | 4.06406; 13.5231; 14.1996 90; 90; 90 | 780.39 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108854 | CIF HKL Paper | C6 H3 Br3 | P 21 21 21 | 4.03673; 13.4739; 14.1499 90; 90; 90 | 769.62 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108855 | CIF HKL Paper | C6 H3 Br3 | P 21 21 21 | 4.00341; 13.4119; 14.0916 90; 90; 90 | 756.62 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B, 2021, 77 |
| 2108856 | CIF HKL | C32 Cl16 Cu N8 | C 1 2/m 1 | 17.5447; 25.9863; 3.76308 90; 95.336; 90 | 1708.2 | Gorelik, Tatiana E.; Habermehl, Stefan; Shubin, Aleksandr A.; Gruene, Tim; Yoshida, Kaname; Oleynikov, Peter; Kaiser, Ute; Schmidt, Martin U. Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction Acta Crystallographica Section B, 2021, 77 |
| 2108857 | CIF HKL Paper | C10 H12 K2 N10 O4 | C 1 2/c 1 | 36.522; 3.82815; 28.639 90; 129.573; 90 | 3086.4 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108858 | CIF HKL | C10 H12 K2 N10 O4 | C 1 2/c 1 | 36.534; 3.84179; 28.656 90; 129.598; 90 | 3099.1 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108859 | CIF HKL | C10 H12 K2 N10 O4 | C 1 2/c 1 | 36.553; 3.85466; 28.687 90; 129.646; 90 | 3112.3 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108860 | CIF HKL | C10 H12 K2 N10 O4 | C 1 2/c 1 | 36.575; 3.86969; 28.723 90; 129.689; 90 | 3128.3 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108861 | CIF HKL | C10 H12 K2 N10 O4 | C 1 2/c 1 | 36.591; 3.88466; 28.759 90; 129.719; 90 | 3144.4 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108862 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.529; 11.6677; 11.1762 90; 101.608; 90 | 1344.91 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108863 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.5297; 11.67487; 11.1843 90; 101.584; 90 | 1346.91 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108864 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.5318; 11.68404; 11.1931 90; 101.563; 90 | 1349.4 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108865 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.534; 11.69648; 11.2042 90; 101.545; 90 | 1352.55 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108866 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.5373; 11.70992; 11.2176 90; 101.523; 90 | 1356.25 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108867 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.5404; 11.7241; 11.2296 90; 101.504; 90 | 1359.84 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108868 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.544; 11.7396; 11.2426 90; 101.476; 90 | 1363.81 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108869 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.5488; 11.7577; 11.2563 90; 101.456; 90 | 1368.3 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108870 | CIF HKL | C5 H17 N5 Na2 O8 | P 1 21/c 1 | 10.553; 11.7759; 11.2683 90; 101.41; 90 | 1372.65 | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O Acta Crystallographica Section B, 2021, 77 |
| 2108871 | CIF HKL | C12 H42 Bi2 Cl12 N6 | C 1 2/c 1 | 27.8842; 10.19431; 12.45639 90; 102.911; 90 | 3451.34 | Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B, 2021, 77 |
| 2108872 | CIF HKL | C12 H42 Bi2 Cl12 N6 | C 1 2/c 1 | 27.5447; 10.14187; 12.38379 90; 102.906; 90 | 3372.08 | Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B, 2021, 77 |
| 2108873 | CIF HKL | C4 H14 Bi Cl5 N2 | P 21 21 21 | 7.60312; 12.50404; 13.63023 90; 90; 90 | 1295.82 | Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B, 2021, 77 |
| 2108874 | CIF HKL | C15 H42 Bi2 Cl9 N9 | P 1 21/n 1 | 10.57031; 29.2063; 12.04367 90; 106.634; 90 | 3562.52 | Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B, 2021, 77 |
| 2108875 | CIF HKL | C5 H14 Bi Cl4 N3 | P -1 | 7.7179; 10.566; 18.0362 95.585; 91.008; 110.965 | 1364.74 | Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B, 2021, 77 |
| 2108876 | CIF HKL Paper | C6 H9 N3 O2 | P 1 21 1 | 5.1651; 7.2324; 9.4957 90; 97.065; 90 | 352.03 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108877 | CIF HKL | C6 H9 N3 O2 | P 1 21 1 | 5.1656; 7.2761; 9.4978 90; 97.316; 90 | 354.07 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108878 | CIF HKL | C6 H9 N3 O2 | P 1 21 1 | 5.1854; 7.3998; 9.4976 90; 98.182; 90 | 360.72 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108879 | CIF HKL | C6 H9 N3 O2 | P 21 21 21 | 5.1498; 7.1902; 18.8503 90; 90; 90 | 697.99 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108880 | CIF HKL | C6 H9 N3 O2 | P 21 21 21 | 5.1521; 7.2228; 18.844 90; 90; 90 | 701.23 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108881 | CIF HKL | C6 H9 N3 O2 | P 21 21 21 | 5.169; 7.343; 18.8317 90; 90; 90 | 714.78 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108882 | CIF HKL | C6 H9 N3 O2 | P 1 21 1 | 5.1651; 7.2324; 9.4957 90; 97.065; 90 | 352.03 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108883 | CIF HKL | C6 H9 N3 O2 | P 1 21 1 | 5.1656; 7.2761; 9.4978 90; 97.316; 90 | 354.07 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108884 | CIF HKL | C6 H9 N3 O2 | P 1 21 1 | 5.1854; 7.3998; 9.4976 90; 98.182; 90 | 360.72 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108885 | CIF HKL | C6 H9 N3 O2 | P 21 21 21 | 5.1498; 7.1902; 18.8503 90; 90; 90 | 697.99 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108886 | CIF HKL | C6 H9 N3 O2 | P 21 21 21 | 5.1521; 7.2228; 18.844 90; 90; 90 | 701.23 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108887 | CIF HKL | C6 H9 N3 O2 | P 21 21 21 | 5.169; 7.343; 18.8317 90; 90; 90 | 714.78 | Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K Acta Crystallographica Section B, 2021, 77 |
| 2108888 | CIF HKL Paper | C58 H62 Cl2 Cu4 N12 O34 | P 1 21/n 1 | 15.2568; 14.5155; 15.455 90; 92.086; 90 | 3420.4 | Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand Acta Crystallographica Section B, 2021, 77 |
| 2108889 | CIF HKL | C62 H70 Cu4 N14 O32 | P 1 21/n 1 | 15.1553; 15.2135; 15.1959 90; 94.292; 90 | 3493.8 | Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand Acta Crystallographica Section B, 2021, 77 |
| 2108890 | CIF HKL | C30 H31 Br2 Cl3 Cu2 N6 O12 | C 1 c 1 | 14.333; 17.1049; 16.3502 90; 101.859; 90 | 3922.93 | Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand Acta Crystallographica Section B, 2021, 77 |
| 2108891 | CIF | C6 H12 N3 O3 | A m a 2 | 12.1054; 13.5537; 5.20741 90; 90; 90 | 854.4 | Gallo, Gianpiero; Terban, Maxwell W.; Moudrakovski, Igor; Huber, Tatjana; Etter, Martin; Ernst, Martin; Hinrichsen, Bernd; Dinnebier, Robert E. A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function Acta Crystallographica Section B, 2021, 77, 986-995 |
| 2108892 | CIF | C7 H8 Cl N3 O4 S2 | P 1 21 1 | 7.3288; 8.5032; 9.9467 90; 111.29; 90 | 577.558 | Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna Marta Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties Acta Crystallographica Section B, 2021, 77, 965-973 |
| 2108893 | CIF HKL | C12 H11 N O5 | P c a 21 | 13.6648; 11.9321; 12.9678 90; 90; 90 | 2114.4 | Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis Acta Crystallographica Section B, 2021, 77, 1035-1047 |
| 2108894 | CIF | C12 H11 N O5 | P c a 21 | 13.6648; 11.9321; 12.9678 90; 90; 90 | 2114.4 | Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis Acta Crystallographica Section B, 2021, 77, 1035-1047 |
| 2108895 | CIF | C12 H11 N O5 | P c a 21 | 13.6648; 11.9321; 12.9678 90; 90; 90 | 2114.4 | Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis Acta Crystallographica Section B, 2021, 77, 1035-1047 |
| 2108896 | CIF HKL | C12 H11 N O5 | P c a 21 | 13.6648; 11.9321; 12.9678 90; 90; 90 | 2114.4 | Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis Acta Crystallographica Section B, 2021, 77, 1035-1047 |
| 2108897 | CIF HKL | C21 H29 N O2 | P 21 21 21 | 5.913; 15.305; 22.257 90; 90; 90 | 2014.2 | Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments Acta Crystallographica Section B, 2021, 77, 892-905 |
| 2108898 | CIF HKL | C20 H29 N O2 Si | P 21 21 21 | 6.816; 12.721; 23.613 90; 90; 90 | 2047.4 | Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments Acta Crystallographica Section B, 2021, 77, 892-905 |
| 2108899 | CIF HKL | C19 H32 N4 O4 | P 21 21 21 | 9.3033; 14.8134; 29.664 90; 90; 90 | 4088.1 | Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments Acta Crystallographica Section B, 2021, 77, 892-905 |
| 2108900 | CIF HKL Paper | C4 H15 O15 Rh | C 1 2/c 1 | 16.2131; 13.0362; 6.3015 90; 99.572; 90 | 1313.32 | Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B, 2021, 77, 1048-1054 |
| 2108901 | CIF HKL | C4 H11 Na2 O14 Rh | P -1 | 5.55; 6.44; 8.59 94.2; 99.4; 98.1 | 298.42 | Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B, 2021, 77, 1048-1054 |
| 2108902 | CIF HKL | C4 H8 Na O12 Rh | P -1 | 5.2554; 6.4584; 8.2102 97.796; 92.099; 112.113 | 254.612 | Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B, 2021, 77, 1048-1054 |
| 2108903 | CIF HKL | C4 H8 Na O12 Rh | P -1 | 6.2055; 7.8091; 10.7762 95.557; 98.352; 98.065 | 507.88 | Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B, 2021, 77, 1048-1054 |
| 2108904 | CIF HKL Paper | C54 H52 Cl4 Ni O2 P2 S6 | P 1 21/n 1 | 13.8788; 11.5765; 16.4387 90; 90.651; 90 | 2641 | Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B, 2021, 77, 919-929 |
| 2108905 | CIF HKL Paper | C31 H22 Cl4 Ni P S4 | P 1 21/c 1 | 13.3664; 14.4849; 15.9712 90; 93.054; 90 | 3087.81 | Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B, 2021, 77, 919-929 |
| 2108906 | CIF HKL Paper | C31 H22 Cl4 Ni P S4 | P 1 21/c 1 | 13.3785; 14.4463; 15.9474 90; 93.364; 90 | 3076.84 | Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B, 2021, 77, 919-929 |
| 2108907 | CIF Paper | C12 H19 N3 O8 S | P 1 21/c 1 | 11.2921; 17.8132; 8.3448 90; 110.575; 90 | 1571.47 | Shteingolts, Sergey A.; Voronina, Julia K.; Saifina, Liliya F.; Shulaeva, Marina M.; Semenov, Vyacheslav E.; Fayzullin, Robert R. On the transfer of theoretical multipole parameters for restoring static electron density and revealing and treating atomic anharmonic motion. Features of chemical bonding in crystals of an isocyanuric acid derivative Acta Crystallographica Section B, 2021, 77, 871-891 |
| 2108908 | CIF HKL Paper | C4 H7 N5 O3 | P 1 21/c 1 | 5.1374; 10.305; 13.935 90; 99.71; 90 | 727.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108909 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.1439; 10.2415; 14.008 90; 100.11; 90 | 726.5 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108910 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.1216; 10.2236; 13.952 90; 99.7; 90 | 720.1 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108911 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0993; 10.252; 13.845 90; 99.11; 90 | 714.7 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108912 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.1064; 10.1978; 13.867 90; 99.36; 90 | 712.5 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108913 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0897; 10.213; 13.789 90; 98.86; 90 | 708.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108914 | CIF | C4 H7 N5 O3 | P 1 21/c 1 | 5.0963; 10.1784; 13.823 90; 99.25; 90 | 707.7 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108915 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0956; 10.1775; 13.792 90; 99.13; 90 | 706.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108916 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0851; 10.1654; 13.751 90; 98.93; 90 | 702.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108917 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.099; 10.193; 13.666 90; 98.65; 90 | 702.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108918 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0608; 10.1526; 13.677 90; 98.54; 90 | 694.9 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108919 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.036; 10.162; 13.54 90; 97.94; 90 | 686.3 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108920 | CIF | C4 H7 N5 O3 | P 1 21/c 1 | 5.024; 10.158; 13.43 90; 97.88; 90 | 679 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108921 | CIF | C4 H7 N5 O3 | P 1 21/c 1 | 5.028; 10.152; 13.36 90; 97.9; 90 | 675 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108922 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 4.984; 10.093; 13.53 90; 99.3; 90 | 672 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108923 | CIF HKL | C4 H7 N5 O3 | P -1 | 5.0927; 10.2465; 13.6617 88.714; 98.962; 92.48 | 703.45 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108924 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.1532; 10.2613; 14.0623 90; 100.401; 90 | 731.38 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108925 | CIF HKL Paper | Cu8 K5.13 Na10.87 O64 S16 | P 1 21/c 1 | 12.5085; 9.3166; 12.7894 90; 107.775; 90 | 1419.29 | Siidra, Oleg I.; Charkin, Dmitry O.; Kovrugin, Vadim M.; Borisov, Artem S. K(Na,K)Na~2~[Cu~2~(SO~4~)~4~]: a new highly porous anhydrous sulfate and evaluation of possible ion migration pathways Acta Crystallographica Section B, 2021, 77, 1003-1011 |
| 2108926 | CIF HKL Paper | C19 H18 N2 O5 S | P 1 21/c 1 | 9.5015; 11.992; 31.506 90; 95.785; 90 | 3571.6 | Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Ukrainets, Igor V. 1-Allyl-4-hydroxy-2,2-dioxo-<i>N</i>-(4-methoxyphenyl)-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity Acta Crystallographica Section B, 2022, 78 |
| 2108927 | CIF HKL | C19 H18 N2 O5 S | P -1 | 7.2868; 10.6462; 11.5637 87.896; 76.578; 87.155 | 871.2 | Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Ukrainets, Igor V. 1-Allyl-4-hydroxy-2,2-dioxo-<i>N</i>-(4-methoxyphenyl)-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity Acta Crystallographica Section B, 2022, 78 |
| 2108928 | CIF HKL Paper | C10 H9 N17 O18 | P 1 21/c 1 | 11.7438; 15.8026; 12.5832 90; 100.074; 90 | 2299.22 | Lian, Pengbao; Zhang, Luyao; Su, Hongping; Chen, Jun; Chen, Lizhen; Wang, Jianlong A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity Acta Crystallographica Section B, 2022, 78 |
| 2108929 | CIF HKL | Cs N O3 | P m -3 m | 4.5226; 4.5226; 4.5226 90; 90; 90 | 92.5 | Fábry, Jan; Kučeráková, Monika; Dušek, Michal; Buixaderas, Elena; Hlinka, Jiří Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data Acta Crystallographica Section B, 2022, 78 |
| 2108930 | CIF HKL Paper | C18 H16 N O3 P | P 1 21/n 1 | 9.8195; 9.8992; 16.2764 90; 94.985; 90 | 1576.17 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108931 | CIF HKL | C18 H15 Br N O3 P | P -1 | 8.4356; 9.2086; 11.2129 79.719; 86.293; 73.677 | 822.39 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108932 | CIF HKL | C18 H15 Cl N O3 P | P -1 | 8.4547; 9.2155; 11.0953 79.742; 86.939; 72.784 | 812.55 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108933 | CIF HKL | C18 H15 I N O3 P | P -1 | 8.4777; 9.2823; 11.4187 79.545; 85.778; 75.12 | 853.67 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108934 | CIF HKL | C18 H15 Br N O3 P | P -1 | 10.0639; 10.2306; 10.5227 107.907; 95.159; 118.01 | 874.05 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108935 | CIF HKL | C18 H15 Cl N O3 P | P 1 21/n 1 | 9.6702; 18.1551; 10.1914 90; 110.184; 90 | 1679.4 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108936 | CIF HKL | C18 H15 F N O3 P | P c a 21 | 35.0174; 7.3265; 12.927 90; 90; 90 | 3316.5 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108937 | CIF HKL | C18 H15 I N O3 P | P -1 | 10.06; 10.4577; 10.6104 109.098; 95.734; 116.967 | 898.35 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108938 | CIF HKL | C18 H15 Br N O3 P | C 1 2/c 1 | 24.8534; 7.2695; 19.7913 90; 103.346; 90 | 3479.16 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108939 | CIF HKL | C18 H15 Cl N O3 P | P 1 21/c 1 | 10.3815; 9.3201; 17.813 90; 90.725; 90 | 1723.39 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
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