Crystallography Open Database
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Searching journal of publication like 'IUCrJ'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1567362 | CIF Paper | C6 Mo O6 | P n m a | 11.78656; 11.2619; 6.3733 90; 90; 90 | 845.986 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567363 | CIF Paper | C6 Mo O6 | P n m a | 11.7976; 11.2734; 6.3799 90; 90; 90 | 848.52 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567364 | CIF Paper | C6 Mo O6 | P n m a | 11.7976; 11.2734; 6.3799 90; 90; 90 | 848.52 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567365 | CIF Paper | C6 Mo O6 | P n m a | 11.7976; 11.2734; 6.3799 90; 90; 90 | 848.52 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567366 | CIF Paper | C6 Mo O6 | P n m a | 11.80112; 11.27663; 6.38185 90; 90; 90 | 849.277 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567367 | CIF Paper | C6 Mo O6 | P n m a | 11.80112; 11.27663; 6.38185 90; 90; 90 | 849.277 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567368 | CIF Paper | C6 Mo O6 | P n m a | 11.80112; 11.27663; 6.38185 90; 90; 90 | 849.277 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567369 | CIF Paper | C6 Mo O6 | P n m a | 11.80973; 11.28599; 6.38709 90; 90; 90 | 851.3 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567370 | CIF Paper | C6 Mo O6 | P n m a | 11.80973; 11.28599; 6.38709 90; 90; 90 | 851.3 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567371 | CIF Paper | C6 Mo O6 | P n m a | 11.80973; 11.28599; 6.38709 90; 90; 90 | 851.3 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567372 | CIF Paper | C6 Mo O6 | P n m a | 11.82125; 11.2974; 6.39402 90; 90; 90 | 853.917 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567373 | CIF Paper | C6 Mo O6 | P n m a | 11.82125; 11.2974; 6.39402 90; 90; 90 | 853.917 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567374 | CIF Paper | C6 Mo O6 | P n m a | 11.82125; 11.2974; 6.39402 90; 90; 90 | 853.917 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567375 | CIF Paper | C6 Mo O6 | P n m a | 11.8622; 11.33684; 6.41647 90; 90; 90 | 862.886 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567376 | CIF Paper | C6 Mo O6 | P n m a | 11.8622; 11.33684; 6.41647 90; 90; 90 | 862.886 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567377 | CIF Paper | C6 Mo O6 | P n m a | 11.8622; 11.33684; 6.41647 90; 90; 90 | 862.886 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1568793 | CIF | C522 H496 N72 Ni52 O264 | F d -3 :2 | 57.933; 57.933; 57.933 90; 90; 90 | 194437 | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. IUCrJ, 2023, 10 |
| 1568794 | CIF | C540 H544 N60 Ni52 O264 | F d -3 :2 | 58.6; 58.6; 58.6 90; 90; 90 | 201230 | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. IUCrJ, 2023, 10 |
| 1568795 | CIF | C504 H442 Br18 N72 Ni52 O264 | F d -3 :2 | 58.069; 58.069; 58.069 90; 90; 90 | 195809 | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. IUCrJ, 2023, 10 |
| 1568796 | CIF | C522 H496 Co52 N72 O264 | F d -3 :2 | 58.38; 58.38; 58.38 90; 90; 90 | 198972 | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. IUCrJ, 2023, 10 |
| 1568921 | CIF Paper | C32 H31 K O14 | P 1 2/n 1 | 11.2185; 10.2204; 13.5244 90; 106.427; 90 | 1487.38 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568922 | CIF | C34 H33 K O13 | C 1 2/c 1 | 19.4072; 20.4384; 17.3645 90; 104.006; 90 | 6682.9 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568923 | CIF | C33 H31 K O13 | C 1 2/c 1 | 19.6211; 20.3628; 17.2684 90; 104.282; 90 | 6686.19 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568924 | CIF | C16 H19 K O9 | P b c a | 13.9343; 7.8657; 31.4425 90; 90; 90 | 3446.19 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568925 | CIF | C16 H13.5 Na0.5 O6 | P 1 2/n 1 | 10.7741; 9.6357; 13.8452 90; 107.103; 90 | 1373.79 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568926 | CIF | C36 H39 Na O14 | P -1 | 10.8865; 10.9884; 16.1451 81.871; 74.681; 68.049 | 1725.73 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568927 | CIF | C16 H15 Na O7 | P 1 21/c 1 | 11.0666; 13.2714; 10.0412 90; 94.43; 90 | 1470.34 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1569195 | CIF Paper | Al7.44 Ca2.62 K2.63 Mg0.6 Na0.13 O100.8 Si28.56 | P 63/m m c | 13.2708; 13.2708; 15.0958 90; 90; 120 | 2302.4 | Giacobbe, Carlotta; Moliterni, Anna; Di Giuseppe, Dario; Malferrari, Daniele; Wright, Jonathan P.; Mattioli, Michele; Ranieri, Simona; Giannini, Cinzia; Fornasini, Laura; Mugnaioli, Enrico; Ballirano, Paolo; Gualtieri, Alessandro F. The crystal structure of the killer fibre erionite from Tuzköy (Cappadocia, Turkey). IUCrJ, 2023 |
| 1569410 | CIF Paper | C12 H12 N10 O7 | P 1 2/c 1 | 8.0781; 4.793; 18.345 90; 90.223; 90 | 710.28 | Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U. Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D. IUCrJ, 2023, 10, 448-463 |
| 1569411 | CIF Paper | C6 H5.34 N5 O3.17 | P 1 2/c 1 | 8.10257; 4.83656; 17.8289 90; 88.531; 90 | 698.46 | Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U. Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D. IUCrJ, 2023, 10, 448-463 |
| 1569412 | CIF Paper | C53.14 H44.05 I6 N12 O1.01 Zn3 | C 1 2/c 1 | 35.5224; 14.9127; 30.922 90; 102.4; 90 | 15998.3 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569413 | CIF | C55.92 H45.25 I6 N12 O1.33 Zn3 | C 1 2/c 1 | 35.6703; 14.9029; 30.5678 90; 102.121; 90 | 15887.3 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569414 | CIF | C53.17 H48.75 I6.01 N12 O0.62 Zn3.01 | P -1 | 14.8189; 19.1026; 31.814 101.557; 92.34; 110.826 | 8184.8 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569415 | CIF | C45.94 H34.64 I6 N12.54 O0.54 Zn3 | C 1 2/c 1 | 35.62; 14.9567; 30.9945 90; 102.899; 90 | 16095.9 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569416 | CIF | C45.57 H34.77 I6 N12 O1.2 Zn3 | C 1 2/c 1 | 35.3379; 14.8649; 31.6259 90; 102.979; 90 | 16188.5 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569417 | CIF | C50.67 H46.7 I6 N12 O1.42 Zn3 | P 1 2/n 1 | 31.5077; 14.9991; 34.4289 90; 102.086; 90 | 15910 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569418 | CIF | C54.39 H49.06 I6 N12 O3.35 Zn3 | C 1 2/c 1 | 34.533; 15.0103; 30.9081 90; 101.4; 90 | 15705.2 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569419 | CIF | C56.93 H43.09 I6.02 N12 O1.61 Zn3.01 | C 1 2/c 1 | 35.4079; 14.9066; 31.8633 90; 103.664; 90 | 16341.8 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569420 | CIF | C44.23 H30.91 F0.63 I6 N12 O0.63 Zn3 | C 1 2/c 1 | 35.6889; 14.8458; 31.8064 90; 103.685; 90 | 16373.6 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569421 | CIF | C48.16 H34.29 F0.94 I6 N12 O0.94 Zn3 | C 1 2/c 1 | 35.7099; 14.85945; 31.593 90; 103.011; 90 | 16333.8 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569422 | CIF | C22.86 H16.22 I3.75 N6 O0.37 Zn1.5 | P -1 | 14.778; 18.2345; 30.797 98.227; 91.736; 113.055 | 7523.4 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569423 | CIF | C49.98 H38.21 I6 N12 O Zn3 | C 1 2/c 1 | 35.5509; 14.9182; 30.8851 90; 102.449; 90 | 15995 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569424 | CIF | C48.24 H36.74 I6 N12 O0.53 Zn3 | C 1 2/c 1 | 34.9529; 14.9266; 30.7318 90; 101.777; 90 | 15696.1 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569763 | CIF Paper | C9 H14 N2 O4 | P 1 21/n 1 | 7.884; 7.2121; 16.7362 90; 94.4437; 90 | 948.76 | Saifina, Alina F.; Kartashov, Sergey V.; Saifina, Liliya F.; Fayzullin, Robert R. Applicability of transferable multipole pseudo-atoms for restoring inner-crystal electronic force density fields. Chemical bonding and binding features in the crystal and dimer of 1,3-bis(2-hydroxyethyl)-6-methyluracil IUCrJ, 2023, 10, 584-602 |
| 1569894 | CIF Paper | C14 H16 N2 O10 Zn | P 1 21/c 1 | 9.4322; 11.3669; 16.0822 90; 106; 90 | 1657.46 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569895 | CIF | C14 H16 Co N2 O10 | P 43 21 2 | 10.2539; 10.2539; 30.4058 90; 90; 90 | 3196.9 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569896 | CIF | C24 H18 N4 O7 Zn | P -1 | 8.5332; 9.6081; 14.1363 95.32; 97.103; 104.473 | 1104.36 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569897 | CIF | C24 H20 Co N4 O8 | P -1 | 7.7901; 10.0895; 15.5233 94.751; 101.411; 107.809 | 1125.17 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569898 | CIF | C24 H18 Cu N4 O7 | P 1 21/n 1 | 7.2074; 16.8579; 18.3599 90; 100.371; 90 | 2194.31 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569899 | CIF | C24 H18 N4 O6 | C 1 2/c 1 | 12.02; 11.953; 14.174 90; 103.163; 90 | 1982.9 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569900 | CIF | C50 H48 N8 O14 Zn | P 1 2/c 1 | 14.1895; 14.8309; 22.402 90; 92.676; 90 | 4709.2 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569988 | CIF Paper | C34 H26 N2 S2 | P -1 | 9.4895; 11.6539; 13.4967 114.125; 100.242; 91.853 | 1331.33 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569989 | CIF | C34 H26 N2 S2 | I 1 2/a 1 | 9.8916; 25.9653; 10.937 90; 109.525; 90 | 2647.5 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569990 | CIF | C84 H64 N4 O12 S4 | P 1 2/n 1 | 17.1862; 12.2494; 18.3174 90; 113.273; 90 | 3542.4 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569991 | CIF | C185 H145 N8 O28 S8 | P -1 | 10.602; 16.714; 24.181 71.454; 88.132; 78.607 | 3980.2 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569992 | CIF | C49 H35 N2 O12 S2 | P 1 21/c 1 | 9.6987; 20.7245; 22.9341 90; 101.68; 90 | 4514.32 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569993 | CIF | C42 H32 N2 O4 S2 | P n a 21 | 30.6739; 9.6686; 24.285 90; 90; 90 | 7202.3 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569994 | CIF | C68 H56 Co N4 O2 S4 | F d d d :2 | 9.8404; 21.4458; 67.537 90; 90; 90 | 14252.7 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569995 | CIF | C68 H56 N4 Ni O2 S4 | F d d d :2 | 9.8621; 21.6164; 67.069 90; 90; 90 | 14298 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569996 | CIF | C68 H56 N6 O8 S4 Zn | F d d d :2 | 9.8296; 21.4844; 67.4 90; 90; 90 | 14233.7 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569997 | CIF Paper | C68 H56 Cd N6 O8 S4 | F d d d :2 | 9.8116; 21.432; 69.162 90; 90; 90 | 14544 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569998 | CIF Paper | C35 H28 Cl2 Cu I N2 S2 | P -1 | 9.496; 10.032; 17.38 86.772; 84.163; 83.443 | 1634.7 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569999 | CIF Paper | C74 H66 Br2 Cu N6 O2 S4 | P -1 | 9.5108; 11.4444; 16.0164 105.012; 98.452; 99.178 | 1629.52 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570000 | CIF Paper | C42 H33 N3 O8 S2 Zn | P -1 | 10.1753; 10.952; 18.411 89.839; 82.711; 69.145 | 1899.8 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570001 | CIF Paper | C82 H60 N4 O5 S4 Zn | P -1 | 14.2712; 14.7916; 19.2839 98.124; 104.4; 117.968 | 3320.3 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570002 | CIF Paper | C90 H93 N7 O17 S4 Zn2 | P -1 | 11.873; 17.012; 22.921 78.006; 76.999; 83.799 | 4403.4 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570003 | CIF Paper | C46 H39 N3 O8 S2 Zn | P -1 | 10.1309; 11.6998; 19.7642 76.491; 78.625; 67.929 | 2095.27 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570004 | CIF Paper | C46 H37 N3 O7 S2 Zn | P -1 | 10.262; 11.2119; 18.905 87.543; 82.666; 66.797 | 1982.8 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570005 | CIF Paper | C48 H38 N2 O6 S2 Zn | P 64 2 2 | 15.4656; 15.4656; 45.0635 90; 90; 120 | 9334.5 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570006 | CIF Paper | C76 H56 N4 O4 S4 Zn2 | I 1 2/a 1 | 20.2935; 16.6798; 25.1409 90; 109.835; 90 | 8005.1 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570096 | CIF Paper | C34 H20 F18 N4 | P 1 21/n 1 | 12.6847; 5.8648; 23.2236 90; 93.284; 90 | 1724.84 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 1570097 | CIF | C11 H5 F6 N | P 21 21 21 | 5.8577; 10.4534; 17.3482 90; 90; 90 | 1062.28 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 1570098 | CIF | C14 H11 F5 | P -1 | 6.3499; 7.2178; 7.3804 108.087; 93.949; 98.796 | 315.32 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 1570099 | CIF | C14 H11 F5 | I -1 | 10.2296; 8.7819; 14.6776 106.811; 80.111; 97.168 | 1239.51 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 1570230 | CIF Paper | P4 | P 21 21 21 | 18.302; 18.302; 36.441 90; 90; 90 | 12206 | Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar A new polymorph of white phosphorus at ambient conditions IUCrJ, 2023, 10, 766-771 |
| 1570231 | CIF Paper | P4 | P 21 21 21 | 18.298; 18.298; 36.408 90; 90; 90 | 12190 | Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar A new polymorph of white phosphorus at ambient conditions IUCrJ, 2023, 10, 766-771 |
| 1570302 | CIF Paper | C27 H33 F N4 O4 | P 1 21/c 1 | 23.295; 10.179; 10.6479 90; 97.284; 90 | 2504.5 | Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ, 2024, 11, 23-33 |
| 1570303 | CIF | C31 H41 F N4 O4 | P 1 21/c 1 | 26.953; 10.08; 10.753 90; 92.658; 90 | 2918 | Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ, 2024, 11, 23-33 |
| 1570304 | CIF | C35 H49 F N4 O4 | P 1 21/c 1 | 31.029; 9.9381; 10.8384 90; 99.374; 90 | 3297.6 | Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ, 2024, 11, 23-33 |
| 1570305 | CIF | C39 H57 F N4 O4 | P 1 21/c 1 | 34.188; 9.828; 10.8068 90; 92.992; 90 | 3626.1 | Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ, 2024, 11, 23-33 |
| 1570433 | CIF | C2 H6 O | P 1 21/c 1 | 5.5541; 6.6179; 6.964 90; 103.835; 90 | 248.55 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570434 | CIF | C2 H6 O | P 1 21/c 1 | 5.5277; 6.527; 6.8941 90; 103.869; 90 | 241.5 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570435 | CIF | C2 H6 O | P 1 21/c 1 | 5.5073; 6.493; 6.8431 90; 103.848; 90 | 237.59 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570436 | CIF | C2 H6 O | P -1 | 4.3394; 8.414; 12.821 90.55; 93.89; 90.83 | 467 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570437 | CIF | C2 H6 O | P -1 | 4.2888; 8.3045; 12.7912 90.249; 93.92; 90.14 | 454.5 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570438 | CIF | C2 H6 O | P -1 | 4.25; 8.198; 12.6105 90.641; 93.97; 90.04 | 438.3 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570439 | CIF | C4 H10 O | P 1 21/c 1 | 6.8268; 8.1428; 7.7731 90; 93.443; 90 | 431.32 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570440 | CIF | C4 H10 O | P 1 21/c 1 | 6.7948; 8.0952; 7.7259 90; 93.621; 90 | 424.12 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570441 | CIF | C4 H10 O | P 1 21/c 1 | 6.7759; 8.0552; 7.6873 90; 93.713; 90 | 418.7 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570442 | CIF | C4 H10 O | P 1 21/c 1 | 6.7612; 8.0271; 7.6687 90; 93.784; 90 | 415.29 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570443 | CIF | C4 H10 O | I 1 2/a 1 | 7.7073; 4.0885; 13.233 90; 93.793; 90 | 416.08 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570444 | CIF | C4 H10 O | P -1 | 5.1196; 5.6659; 7.2999 97.275; 102.728; 96.747 | 202.56 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570445 | CIF | C4 H10 O | P -1 | 5.0809; 5.6329; 7.2451 97.382; 102.749; 97.002 | 198.13 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570446 | CIF | C4 H10 O | P -1 | 5.072; 5.629; 7.215 97.43; 102.91; 97.15 | 196.6 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570447 | CIF | C4 H10 O | P -1 | 5.0182; 5.575; 7.136 97.36; 102.81; 97.72 | 190.31 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570448 | CIF | C6 H14 O | P 1 21/c 1 | 9.416; 4.1817; 15.579 90; 101.23; 90 | 601.7 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570449 | CIF | C6 H14 O | P 1 21/c 1 | 9.368; 4.1229; 15.434 90; 100.84; 90 | 585.5 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570450 | CIF | C6 H14 O | P 1 21/c 1 | 9.293; 4.0686; 15.1855 90; 100.35; 90 | 564.8 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570451 | CIF | C6 H14 O | P 1 21/c 1 | 9.198; 4.0064; 14.9459 90; 99.54; 90 | 543.2 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570452 | CIF | C6 H14 O | P 1 21/c 1 | 9.099; 3.9465; 14.649 90; 98.32; 90 | 520.5 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
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