Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 76
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
2108566 | CIF HKL | C7 H7.75 N Na O4.875 S | P 1 21/n 1 | 18.6212; 28.4622; 29.1642 90; 93.4511; 90 | 15429 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
2108653 | CIF | F120 Ga20 K60 | I 41/a :2 | 19.1124; 19.1124; 34.4165 90; 90; 90 | 12571.8 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
2108657 | CIF HKL Paper | C260 H264 N24 O40 | I 4 2 2 | 21.91; 21.91; 25.44 90; 90; 90 | 12212 | Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR Acta Crystallographica Section B, 2020, 76 |
2108687 | CIF HKL | C128 H85 Co4 N12 O18 | P 1 21/c 1 | 31.055; 23.792; 16.54 90; 94.255; 90 | 12187 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108645 | CIF HKL Paper | C21 H16 N2 O4 | B 1 21 1 | 15.5993; 49.062; 15.6099 90; 119.896; 90 | 10357 | Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione Acta Crystallographica Section B, 2020, 76 |
2108590 | CIF HKL Paper | C25 H44 Cl N O10 | P 21 21 21 | 16.3296; 16.3759; 31.1186 90; 90; 90 | 8321.5 | Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form Acta Crystallographica Section B, 2020, 76 |
2108570 | CIF HKL Paper | Cd86.45 Cu7.147 Ir7.318 | F -4 3 m | 19.9445; 19.9445; 19.9445 90; 90; 90 | 7933.6 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108571 | CIF HKL Paper | Cd86.366 Cu7.584 Ir6.698 | F -4 3 m | 19.922; 19.922; 19.922 90; 90; 90 | 7907 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108617 | CIF HKL | Ga105.3 Mg69.48 Ni48 | F d -3 m :2 | 19.8621; 19.8621; 19.8621 90; 90; 90 | 7835.7 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut New cubic cluster phases in the Mg‒Ni‒Ga system Acta Crystallographica Section B, 2020, 76 |
2108573 | CIF HKL Paper | Cd81.64 Cu15.796 Ir5.306 | F -4 3 m | 19.8332; 19.8332; 19.8332 90; 90; 90 | 7801.5 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108572 | CIF HKL Paper | Cd81.199 Cu15.659 Ir5.873 | F -4 3 m | 19.785; 19.785; 19.785 90; 90; 90 | 7744.8 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108574 | CIF HKL Paper | Cd80.144 Cu17.218 Ir5.638 | F -4 3 m | 19.7041; 19.7041; 19.7041 90; 90; 90 | 7650.1 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108678 | CIF HKL | C23 H28 F N3 O10 | P 1 21 1 | 16.78184; 15.47624; 19.5982 90; 105.758; 90 | 4898.74 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
2108677 | CIF HKL | C46 H54.5 F2 N6 O17.25 | P 21 21 2 | 30.3989; 16.1024; 9.66944 90; 90; 90 | 4733.14 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
2022012 | CIF | C41 H77.768 N2 O15.884 | P 21 21 21 | 11.624; 16.748; 24.018 90; 90; 90 | 4675.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108606 | CIF HKL | C52 H32 N8 O8 S2 Zn2 | P 1 21/c 1 | 7.8461; 20.359; 29.189 90; 94.612; 90 | 4647.5 | Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks Acta Crystallographica Section B, 2020, 76 |
2108721 | CIF HKL Paper | C25 H34 O2 S | P c a 21 | 54.285; 5.5843; 14.8411 90; 90; 90 | 4499 | Deptuch, Aleksandra; Jaworska-Gołab, Teresa; Kusz, Joachim; Ksiażek, Maria; Nagao, Keigo; Matsumoto, Takashi; Yamano, Akihito; Ossowska-Chruściel, Mirosława D.; Chruściel, Janusz; Marzec, Monika Single crystal X-ray structure determination and temperature-dependent structural studies of the smectogenic compound 7OS5 Acta Crystallographica Section B, 2020, 76 |
2108567 | CIF HKL | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6212; 7.11555; 29.1642 90; 93.4511; 90 | 3857.25 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
2108616 | CIF HKL | Ca2 H14 O23 P2 U3 | P b c a | 17.3785; 15.9864; 13.5477 90; 90; 90 | 3763.8 | Plášil, Jakub; Kiefer, Boris; Ghazisaeed, Seyedat; Philippo, Simon Hydrogen bonding in the crystal structure of phurcalite, Ca~2~[(UO~2~)~3~O~2~(PO~4~)~2~]·7H~2~O: single-crystal X-ray study and TORQUE calculations Acta Crystallographica Section B, 2020, 76 |
2108667 | CIF HKL | K2.88 Mg4 Mo6 Na1.12 O24 | R -3 c :H | 14.4673; 14.4673; 19.9186 90; 90; 120 | 3610.5 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
2108666 | CIF HKL | K3 Mg4 Mo6 Na O24 | R -3 c :H | 14.4528; 14.4528; 19.8894 90; 90; 120 | 3597.96 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
2108668 | CIF HKL | Co4 K3 Mo6 Na O24 | R -3 c :H | 14.4638; 14.4638; 19.8369 90; 90; 120 | 3593.93 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
2108638 | CIF HKL | C22 H17 F4 N O | P b c a | 16.643; 6.1042; 35.217 90; 90; 90 | 3577.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108656 | CIF HKL | C29 H20 Br3 Mn O4 P2 S | C 1 2 1 | 15.366; 16.035; 14.327 90; 91.21; 90 | 3529.3 | Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions Acta Crystallographica Section B, 2020, 76 |
2108629 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 13.366; 11.6008; 30.052 90; 130.787; 90 | 3528.1 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108630 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 22.323; 13.499; 11.828 90; 98.459; 90 | 3525 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108669 | CIF HKL | K3.11 Li0.89 Mg4 Mo6 O24 | R -3 c :H | 14.3541; 14.3541; 19.7338 90; 90; 120 | 3521.22 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
2108631 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 36.448; 6.1171; 16.087 90; 102.193; 90 | 3505.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108634 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 36.079; 6.2372; 16.051 90; 104.627; 90 | 3494.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108665 | CIF HKL | K2.51 Mo6 Na1.49 Ni4 O24 | R -3 c :H | 14.2719; 14.2719; 19.8063 90; 90; 120 | 3493.8 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
2108664 | CIF HKL | K3 Mo6 Na Ni4 O24 | R -3 c :H | 14.279; 14.279; 19.7589 90; 90; 120 | 3488.9 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
2108592 | CIF HKL | C30 H52 Cu N6 O6 | P b c n | 11.386; 14.063; 21.427 90; 90; 90 | 3430.9 | Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand Acta Crystallographica Section B, 2020, 76 |
2108682 | CIF HKL | C16 H12 O12 Zn2 | C 1 2/c 1 | 16.1681; 16.261; 13.7893 90; 110.508; 90 | 3395.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108644 | CIF HKL | C22 H21 N O | P b c a | 10.3744; 16.379; 19.851 90; 90; 90 | 3373.1 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108713 | CIF HKL | C6 H5 N7 O0.3 | I 41/a :2 | 28.1674; 28.1674; 4.15209 90; 90; 90 | 3294.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108718 | CIF | C6 H5 N7 O0.5 | I 41/a :2 | 28.275; 28.275; 4.1124 90; 90; 90 | 3287.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108714 | CIF | C6 H5 N7 O0.4 | I 41/a :2 | 28.1659; 28.1659; 4.12335 90; 90; 90 | 3271.13 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108715 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.1314; 28.1314; 4.09378 90; 90; 90 | 3239.72 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108719 | CIF | C6 H5 N7 O0.6 | I 41/a :2 | 28.18; 28.18; 4.0701 90; 90; 90 | 3232.1 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108716 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.1081; 28.1081; 4.06918 90; 90; 90 | 3214.92 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108717 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.0757; 28.0757; 4.04859 90; 90; 90 | 3191.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108720 | CIF | C6 H5 N7 O0.5 | I 41/a :2 | 27.972; 27.972; 3.9991 90; 90; 90 | 3129 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108569 | CIF HKL Paper | Cd41 Ir8 | R -3 :H | 14.896; 14.896; 16.0338 90; 90; 120 | 3081.1 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108605 | CIF HKL | C29 H36 Cl N2 O3 Re | P n m a | 13.0248; 21.7653; 10.421 90; 90; 90 | 2954.2 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
2108658 | CIF HKL | C15 H18 N2 O4 | C 1 2/c 1 | 12.741; 7.7542; 29.3961 90; 98.6; 90 | 2871.57 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2108662 | CIF HKL | C15 H18 N2 O4 | P -1 | 13.1277; 13.977; 17.802 80.629; 82.485; 62.419 | 2850.8 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2108589 | CIF HKL | C52 H28 Cu2 N12 O24 | P 1 21/c 1 | 11.285; 26.65; 9.4293 90; 111.31; 90 | 2641.9 | Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J. Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes Acta Crystallographica Section B, 2020, 76 |
2022024 | CIF | C16 H11 N O3 | P b c a | 12.925; 8.273; 23.954 90; 90; 90 | 2561.4 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108588 | CIF HKL | C24 H14 Cu N6 O12 | P 1 21/c 1 | 11.2998; 25.77; 9.3086 90; 111.894; 90 | 2515.1 | Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J. Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes Acta Crystallographica Section B, 2020, 76 |
2108604 | CIF HKL | C25 H28 Cl N2 O3 Re | P 1 21/c 1 | 9.998; 30.878; 8.209 90; 98.497; 90 | 2506.5 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
2022036 | CIF | C22 H36 N6 O7 | P 21 21 21 | 10.128; 12.486; 19.507 90; 90; 90 | 2466.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108600 | CIF HKL Paper | C24 H22 F4 Si2 | P 1 21/c 1 | 6.905; 14.948; 23.66 90; 94.82; 90 | 2433.5 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
2108675 | CIF HKL | C23 H28 F N3 O8 | P 21 21 21 | 6.428; 6.987; 52.001 90; 90; 90 | 2335.5 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
2108603 | CIF HKL | C23 H24.4 Cl N2 O3 Re | P 1 21/c 1 | 8.2294; 36.355; 8.1035 90; 105.614; 90 | 2334.9 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
2108599 | CIF | C24 H22 F4 Si2 | P 1 21/c 1 | 6.7352; 14.8514; 23.3648 90; 94.735; 90 | 2329.1 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
2108688 | CIF HKL | C48 H32 Co2 N4 O10 | P -1 | 12.068; 14.523; 14.662 68.654; 79.061; 75.13 | 2300 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2022009 | CIF | C33 H23 N O | P 1 21/c 1 | 11.1055; 11.6712; 18.0627 90; 102.675; 90 | 2284.13 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108676 | CIF | C23 H26 F N3 O8 | P 21 21 21 | 4.7535; 15.801; 29.855 90; 90; 90 | 2242.41 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
2022017 | CIF | C14 H11 N O2 | P b c a | 11.827; 7.875; 23.504 90; 90; 90 | 2189.1 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022047 | CIF | C8 H18 N2 O4 S | P b c a | 8.3222; 9.5441; 27.0123 90; 90; 90 | 2145.53 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108689 | CIF | C26 H33 N O2 | P 21 21 21 | 7.4313; 9.6383; 29.8978 90; 90; 90 | 2141.43 | Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof Charge density analysis of abiraterone acetate Acta Crystallographica Section B, 2020, 76 |
2108690 | CIF HKL | C26 H33 N O2 | P 21 21 21 | 7.4313; 9.6383; 29.8978 90; 90; 90 | 2141.43 | Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof Charge density analysis of abiraterone acetate Acta Crystallographica Section B, 2020, 76 |
2108602 | CIF HKL Paper | C21 H20 Cl N2 O3 Re | P 1 21/c 1 | 7.2923; 23.44; 12.75 90; 106.337; 90 | 2091.4 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
2022067 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.047; 10.129; 18.652 90; 97.223; 90 | 2070.5 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022075 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.0299; 10.0921; 18.6365 90; 97.238; 90 | 2057.99 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022048 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.0104; 10.0398; 18.604 90; 97.32; 90 | 2039.77 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022069 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 10.978; 10.006; 18.488 90; 97.223; 90 | 2014.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108732 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 9.59; 8.67; 23.811 90; 94.364; 90 | 1974 | Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E. Two conformational polymorphs of 4-methylhippuric acid Acta Crystallographica Section B, 2020, 76 |
2108568 | CIF HKL | C11 H9 N O S | P 1 21/c 1 | 15.0288; 5.3086; 24.444 90; 99.133; 90 | 1925.47 | Sweeting, Stephen G.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Warren, Stephen D.; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Hall, Simon R. The solubility and stability of heterocyclic chalcones compared with <i>trans</i>-chalcone Acta Crystallographica Section B, 2020, 76 |
2108595 | CIF HKL Paper | C34 H44 Mg N6 O10 S2 | P 1 21/c 1 | 17.475; 8.051; 14.19 90; 109.91; 90 | 1877.1 | Abouhakim, Hanane; Nilsson Lill, Sten O.; Quayle, Michael J.; Norberg, Stefan T.; Hassanpour, Ali; Pask, Christopher M. The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate Acta Crystallographica Section B, 2020, 76 |
2108593 | CIF HKL | C60 H80 O46 | P -1 | 10.2989; 14.3586; 14.5679 115.521; 103.49; 100.116 | 1794.4 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
2108641 | CIF | C22 H17 F4 N O | P -1 | 11.137; 11.8983; 15.127 73.675; 71.73; 72.936 | 1779.74 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108632 | CIF HKL | C22 H17 F4 N O | P c a 21 | 16.559; 17.595; 6.1048 90; 90; 90 | 1778.7 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108643 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 11.322; 12.437; 20.012 90; 140.922; 90 | 1776.4 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108626 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.705; 13.476; 13.843 90; 101.159; 90 | 1776.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108633 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.445; 21.293; 9.59 90; 112.96; 90 | 1775.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108635 | CIF HKL | C22 H17 F4 N O | P 1 c 1 | 17.468; 6.2025; 16.338 90; 92.208; 90 | 1768.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108642 | CIF HKL | C22 H17 F4 N O | P -1 | 10.6975; 13.2186; 13.6339 68.667; 80.428; 81.09 | 1761.4 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108627 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.642; 13.292; 13.931 90; 99.89; 90 | 1758.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108624 | CIF HKL | C23 H16 Ag2 N3 S16 | P -1 | 15.0831; 8.6447; 13.4755 90.012; 91.364; 89.998 | 1756.56 | Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid Acta Crystallographica Section B, 2020, 76 |
2108636 | CIF | C22 H17 F4 N O | P 1 21/c 1 | 18.194; 6.147; 16.182 90; 104.903; 90 | 1748.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108640 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 12.947; 10.4113; 22.59 90; 145.306; 90 | 1733.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108639 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 12.287; 11.3169; 22.191 90; 145.954; 90 | 1727.5 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108623 | CIF HKL | C23 H16 Ag2 N3 S16 | P -1 | 15.0062; 8.582; 13.3243 89.984; 91.447; 90.002 | 1715.4 | Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid Acta Crystallographica Section B, 2020, 76 |
2108587 | CIF HKL | C9 H9 N O4 | P 1 21/n 1 | 11.6065; 7.3059; 20.0511 90; 99.977; 90 | 1674.54 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2108607 | CIF HKL | C36 H58 O4 | P 1 21/c 1 | 22.486; 8.8585; 8.3874 90; 96.221; 90 | 1660.9 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2108621 | CIF HKL | C26 H31.34 N6 Ni2 O16.67 | P -1 | 10.1294; 12.2011; 14.243 82.035; 74.232; 79.373 | 1657.7 | Chahkandi, Mohammad; Keivanloo Shahrestanaki, Abolfazl; Mirzaei, Masoud; Nawaz Tahir, Muhammad; Mague, Joel T. Crystal and molecular structure of [Ni{2-H~2~NC(=O)C~5~H~4~N}~2~(H~2~O)~2~][Ni{2,6-(O~2~C)~2~C~5~H~3~N}~2~]·4.67H~2~O; DFT studies on hydrogen bonding energies in the crystal Acta Crystallographica Section B, 2020, 76 |
2108672 | CIF HKL Paper | C3 H8 N2 O6 P2 | P 21/n 1 1 | 13.673; 8.396; 14.317 90.57; 90; 90 | 1643.5 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
2108654 | CIF | F30 Ga5 K15 | I 4/m | 13.6088; 13.6088; 8.6764 90; 90; 90 | 1606.86 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
2108591 | CIF HKL | C28 H50 Cu N6 O7 | P -1 | 10.946; 12.502; 13.029 70.34; 79.99; 73.06 | 1600.5 | Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand Acta Crystallographica Section B, 2020, 76 |
2022039 | CIF | C3 H6 N6 O6 | P b c a | 11.4425; 10.6106; 13.1558 90; 90; 90 | 1597.27 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022014 | CIF | C3 H6 N6 O6 | P b c a | 11.379; 10.5694; 13.1314 90; 90; 90 | 1579.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108609 | CIF HKL | C18 H18 O6 | P 1 21 1 | 11.304; 10.064; 14.496 90; 107.822; 90 | 1570 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2022031 | CIF | C17 H21 N O4 | P 21 21 21 | 7.431; 13.769; 14.944 90; 90; 90 | 1529 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108618 | CIF HKL | Ga8 Mg24 Ni16 | F d -3 m :2 | 11.4886; 11.4886; 11.4886 90; 90; 90 | 1516.4 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut New cubic cluster phases in the Mg‒Ni‒Ga system Acta Crystallographica Section B, 2020, 76 |
2108583 | CIF HKL Paper | C30 H44 N30 O32 V10 | P -1 | 11.3756; 11.5611; 14.0894 73.533; 67.176; 60.845 | 1481.18 | Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan Crystal engineering of an adenine‒decavanadate molecular device towards label-free chemical sensing and biological screening Acta Crystallographica Section B, 2020, 76 |
2108615 | CIF HKL | Al3 K2 O16 P3 Si Zn | C 1 2/c 1 | 13.234; 13.121; 8.6581 90; 100.14; 90 | 1479.9 | Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure Acta Crystallographica Section B, 2020, 76 |
2022056 | CIF | C19 H14 N2 O2 | P 21 21 21 | 7.875; 9.892; 18.843 90; 90; 90 | 1467.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108683 | CIF HKL | C28 H20 N4 O11 Zn2 | P -1 | 10.07; 12.144; 14.172 104.63; 105.637; 109.156 | 1461.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108610 | CIF HKL | C16 H18 O4 | P 1 21/c 1 | 13.1; 7.6709; 15.2881 90; 110.181; 90 | 1441.97 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2108619 | CIF HKL | C13 H22 N2 O5 | P 1 21/c 1 | 9.8441; 10.8561; 13.5205 90; 96.728; 90 | 1435 | Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer Acta Crystallographica Section B, 2020, 76 |
2108661 | CIF HKL | C15 H18 N2 O4 | P 1 21/c 1 | 7.3901; 25.1748; 8.0438 90; 108.992; 90 | 1415.04 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2108659 | CIF HKL | C15 H18 N2 O4 | P 1 21/c 1 | 7.3324; 29.277; 7.4171 90; 117.402; 90 | 1413.6 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2022023 | CIF | C13 H19 N3 O6 | P 21 21 21 | 7.984; 9.535; 18.352 90; 90; 90 | 1397.1 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022052 | CIF | C6 H6 N12 O12 | P 1 21/n 1 | 8.789; 12.474; 13.279 90; 106.578; 90 | 1395.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022045 | CIF | C13 H19 N O5 | P 21 21 21 | 7.235; 13.056; 14.415 90; 90; 90 | 1361.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108704 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.089; 18.4614; 9.074 90; 96.08; 90 | 1347.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108703 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.1016; 18.473; 9.04 90; 95.91; 90 | 1346 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2022040 | CIF | C11 H21 N3 O5 | P 21 21 21 | 6.825; 9.042; 21.728 90; 90; 90 | 1340.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108705 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.053; 18.47; 9.044 90; 95.4; 90 | 1339 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108706 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.982; 18.318; 8.964 90; 95.08; 90 | 1305.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108707 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.965; 18.251; 8.929 90; 94.85; 90 | 1293.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108708 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.918; 18.223; 8.897 90; 94.6; 90 | 1280 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108680 | CIF HKL Paper | C12 H13 N O8 | P 21 21 2 | 29.1612; 9.207; 4.7387 90; 90; 90 | 1272.28 | Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V. A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization Acta Crystallographica Section B, 2020, 76 |
2108709 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.897; 18.1579; 8.874 90; 94.54; 90 | 1268.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108686 | CIF HKL | C26 H18 N2 Ni2 O11 | P -1 | 9.2229; 12.2226; 13.073 112.261; 106.134; 97.765 | 1261.3 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108685 | CIF HKL | C28 H14 Cd2 N2 O9 | P -1 | 11.2042; 11.2728; 11.7208 109.537; 97.561; 110.368 | 1255.34 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108710 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.8356; 18.074; 8.88 90; 94.24; 90 | 1254 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108681 | CIF HKL | C12 H13 N O8 | P 21 21 2 | 29.0583; 9.15479; 4.70223 90; 90; 90 | 1250.9 | Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V. A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization Acta Crystallographica Section B, 2020, 76 |
2108711 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.84; 18.094; 8.82 90; 94.13; 90 | 1248 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108673 | CIF HKL Paper | C6 H12 N4 O6 P2 | P 43 21 2 | 8.966; 8.966; 15.462 90; 90; 90 | 1243 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
2022038 | CIF | C16 H17 N O2 | P 1 21/n 1 | 8.5755; 10.1627; 14.2676 90; 95.249; 90 | 1238.21 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108684 | CIF HKL | C26 H20 N2 O12 Zn2 | P -1 | 7.8759; 8.0318; 20.59 86.441; 88.986; 72.182 | 1237.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108712 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.7755; 18.017; 8.75 90; 93.53; 90 | 1223 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108622 | CIF | C3 H18 F9 Gd O18 S3 | P 63/m | 13.7828; 13.7828; 7.3148 90; 90; 120 | 1203.39 | Janicki, Rafał; Starynowicz, Przemysław Analysis of charge density in nonaaquagadolinium(III) trifluoromethanesulfonate ‒ insight into Gd^III^—OH~2~ bonding Acta Crystallographica Section B, 2020, 76 |
2022013 | CIF | C12 H14 N2 O4 | P 21 21 21 | 5.2951; 8.1213; 27.256 90; 90; 90 | 1172.09 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108597 | CIF HKL | C20 H16 N8 O10 | P -1 | 22.183; 12.546; 5.3092 51.074; 92.16; 97.31 | 1138.5 | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography Acta Crystallographica Section B, 2020, 76 |
2108674 | CIF HKL | C23 H26 F N3 O6 | P 1 21 1 | 6.49617; 7.41888; 23.587 90; 92.9418; 90 | 1135.26 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
2108734 | CIF | C23 H26 N4 O S | P -1 | 9.4051; 10.4236; 11.9619 96.686; 95.2878; 104.474 | 1118.74 | Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction Acta Crystallographica Section B, 2020, 76 |
2108733 | CIF HKL | C23 H26 N4 O S | P -1 | 9.4054; 10.4228; 11.9607 96.683; 95.288; 104.474 | 1118.59 | Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction Acta Crystallographica Section B, 2020, 76 |
2108663 | CIF HKL | Cl10 H20 Li4 O11 Ru2 | P -1 | 8.0548; 10.7806; 13.7195 78.551; 80.825; 72.1629 | 1105.28 | Mudiyanselage, Ranuri S Dissanayaka; Marshall, Madalynn; Kong, Tai; Xie, Weiwei Li~4~Ru~2~OCl~10~·10H~2~O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes Acta Crystallographica Section B, 2020, 76 |
2022066 | CIF | C10 H14 N2 O5 | P 21 21 21 | 4.8462; 13.901; 16.316 90; 90; 90 | 1099.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108596 | CIF | C10 H8 N4 O5 | P 1 21/c 1 | 11.67; 11.4666; 8.494 90; 106.848; 90 | 1087.8 | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography Acta Crystallographica Section B, 2020, 76 |
2108611 | CIF | C9 H13 N O2 S2 | P 1 21/n 1 | 9.8106; 10.5345; 10.4312 90; 91.787; 90 | 1077.54 | Vénosová, Barbora; Koziskova, Julia; Kožíšek, Jozef; Herich, Peter; Lušpai, Karol; Petricek, Vaclav; Hartung, Jens; Müller, Mike; Hübschle, Christian B.; van Smaalen, Sander; Bucinsky, Lukas Charge density of 4-methyl-3-[(tetrahydro-2<i>H</i>-pyran-2-yl)oxy]thiazole-2(3<i>H</i>)-thione. A comprehensive multipole refinement, maximum entropy method and density functional theory study Acta Crystallographica Section B, 2020, 76 |
2022020 | CIF | C8 H16 N2 O3 S | P 1 21/c 1 | 13.089; 5.329; 15.921 90; 108.57; 90 | 1052.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022080 | CIF | C13 H10 N2 O2 | P 1 21/c 1 | 13.659; 6.256; 12.862 90; 107; 90 | 1051 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108613 | CIF HKL | Mg0.026 Mo0.974 O5.94 Pr2 | I -4 c 2 | 5.6979; 5.6979; 31.7012 90; 90; 90 | 1029.21 | Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I. Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg Acta Crystallographica Section B, 2020, 76 |
2108612 | CIF HKL | Mo O6 Pr2 | I -4 c 2 | 5.696; 5.696; 31.6796 90; 90; 90 | 1027.83 | Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I. Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg Acta Crystallographica Section B, 2020, 76 |
2022063 | CIF | C17 H30 F N3 O9 | P -1 | 9.507; 9.9649; 11.0233 94.182; 100.118; 91.432 | 1024.57 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022078 | CIF | C6 H16 N2 O6 | P 21 21 21 | 9.572; 10.039; 10.548 90; 90; 90 | 1013.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022010 | CIF | C6 H14 N2 O7 | P 21 21 21 | 9.659; 9.672; 10.739 90; 90; 90 | 1003.26 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022046 | CIF | C18 H28 N4 O5 | P 1 21 1 | 9.598; 8.939; 12.17 90; 108.75; 90 | 988.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022082 | CIF | C17 H27 N3 O6 | P 1 21 1 | 8.845; 9.057; 12.364 90; 94.56; 90 | 987.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108679 | CIF | Cu Ge9 O24 Sr5 | P 1 2/c 1 | 11.8817; 8.19277; 10.3237 90; 101.597; 90 | 984.43 | Klein, Holger; Kodjikian, Stéphanie; Philippe, Rémy; Ding, Lei; Colin, Claire V.; Darie, Céline; Bordet, Pierre Three different Ge environments in a new Sr~5~CuGe~9~O~24~ phase synthesized at high pressure and high temperature Acta Crystallographica Section B, 2020, 76, 727-732 |
2022064 | CIF | C15 H29 N5 O6 | P 1 21 1 | 8.741; 9.42; 11.989 90; 95.49; 90 | 982.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108647 | CIF | B4 Ca3 Eu2 O12 | P n m a | 7.20378; 15.57492; 8.63406 90; 90; 90 | 968.727 | Kosyl, Katarzyna M.; Paszkowicz, Wojciech; Shekhovtsov, Alexey N.; Kosmyna, Miron B.; Antonowicz, Jerzy; Olczak, Adam; Fitch, Andrew N. Variation of cation distribution with temperature and its consequences on thermal expansion for Ca~3~Eu~2~(BO~3~)~4~ Acta Crystallographica Section B, 2020, 76, 554-562 |
2108731 | CIF HKL | C10 H11 N O3 | P 21 21 21 | 5.1732; 8.286; 22.264 90; 90; 90 | 954.3 | Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E. Two conformational polymorphs of 4-methylhippuric acid Acta Crystallographica Section B, 2020, 76 |
2022062 | CIF | C15 H26.269 N3 O7.634 | P 1 21 1 | 8.121; 9.299; 12.532 90; 91.21; 90 | 946.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108585 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 8.74; 10.989; 9.736 90; 90.75; 90 | 935 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2022011 | CIF | C7 H13 N O5 | P 21 21 21 | 9.902; 9.248; 10.166 90; 90; 90 | 930.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022029 | CIF | C7 H13 N O5 | P 21 21 21 | 9.884; 9.253; 10.155 90; 90; 90 | 928.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022021 | CIF | C7 H13 N O5 | P 21 21 21 | 9.866; 9.25; 10.149 90; 90; 90 | 926.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022028 | CIF | C7 H13 N O5 | P 21 21 21 | 9.853; 9.251; 10.145 90; 90; 90 | 924.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108586 | CIF HKL | C10 H11 N O3 | P -1 | 7.8898; 8.5729; 14.2922 88.333; 89.646; 73.099 | 924.56 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2022043 | CIF | C7 H13 N O5 | P 21 21 21 | 9.854; 9.249; 10.144 90; 90; 90 | 924.52 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022081 | CIF | C6 H15 Cl N2 O3 | P 21 21 21 | 5.4315; 9.8019; 17.3505 90; 90; 90 | 923.72 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022058 | CIF | C5 H11 N4 O4 P | P 1 21/n 1 | 5.8389; 19.3579; 8.0338 90; 97.203; 90 | 900.88 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108575 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.1928; 5.4539; 20.07 90; 91.47; 90 | 896 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108637 | CIF HKL | C22 H17 F4 N O | P 1 n 1 | 7.6714; 7.1287; 16.428 90; 100.298; 90 | 883.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108625 | CIF HKL | C22 H17 F4 N O | P 1 21 1 | 8.21; 6.33; 17.277 90; 102.41; 90 | 876.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108576 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.24; 5.4015; 19.519 90; 91.55; 90 | 868 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108628 | CIF HKL | C22 H17 F4 N O | P 1 21 1 | 8.317; 6.0774; 17.513 90; 103.095; 90 | 862.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108580 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.171; 5.3995; 19.515 90; 92; 90 | 860.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108594 | CIF HKL | C30 H40 O20 | P -1 | 7.5073; 8.0208; 14.723 77.133; 79.494; 84.408 | 848.29 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
2108670 | CIF Paper | C3 H8 N2 O6 P2 | P n n a | 7.014; 8.361; 14.389 90; 90; 90 | 843.8 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
2108671 | CIF HKL Paper | C3 H8 N2 O6 P2 | P n n a | 6.962; 8.368; 14.388 90; 90; 90 | 838.2 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
2108601 | CIF HKL | C36 H50 Si2 | P -1 | 8.602; 10.085; 11.209 115.07; 102.61; 98.82 | 825.6 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
2022057 | CIF | C H6 N O3 P | P b c a | 8.977; 9.186; 10.003 90; 90; 90 | 824.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108581 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3608; 5.183; 24.75 90; 96.66; 90 | 810.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108577 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.305; 5.1839; 24.94 90; 96.25; 90 | 810 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108582 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3399; 5.1789; 24.8 90; 96.58; 90 | 809 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108578 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3679; 5.1671; 24.58 90; 96.25; 90 | 804 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108579 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.341; 5.1594; 24.52 90; 96.05; 90 | 798 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108646 | CIF HKL | Al3 B4 O12 Sm | C 1 2/c 1 | 7.2386; 9.3412; 11.1013 90; 103.224; 90 | 730.73 | Oreshonkov, A. S.; Shestakov, N. P.; Molokeev, M. S.; Aleksandrovsky, A. S.; Gudim, I. A.; Temerov, V. L.; Adichtchev, S. V.; Pugachev, A. M.; Nemtsev, I. V.; Pogoreltsev, E. I.; Denisenko, Y. G. Monoclinic SmAl~3~(BO~3~)~4~: synthesis, structural and spectroscopic properties Acta Crystallographica Section B, 2020, 76 |
2022061 | CIF | C9 H6 O S | P 21 21 21 | 4.0515; 10.1749; 17.6519 90; 90; 90 | 727.67 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108651 | CIF | C2 D12 O4 S | P 1 21/c 1 | 10.266194; 7.01113; 10.068968 90; 101.503; 90 | 710.183 | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system Acta Crystallographica Section B, 2020, 76 |
2108620 | CIF HKL | C13 H20 N2 O4 | P -1 | 8.2881; 9.5302; 10.6708 113.46; 105.99; 99.162 | 707.87 | Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer Acta Crystallographica Section B, 2020, 76 |
2108584 | CIF HKL | C8 H7 N O3 | P 1 21/c 1 | 8.7958; 7.5909; 10.8134 90; 104.722; 90 | 698.29 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2108660 | CIF HKL | C15 H18 N2 O4 | P -1 | 7.119; 7.2678; 15.0171 78.012; 82.182; 66.007 | 693.2 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2022051 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4871; 9.4966; 9.7078 90; 90; 90 | 690.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022059 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4583; 9.4892; 9.7301 90; 90; 90 | 688.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022037 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4587; 9.4928; 9.725 90; 90; 90 | 688.57 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022030 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4541; 9.4918; 9.7287 90; 90; 90 | 688.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022044 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108608 | CIF HKL | C28 H38 O6 | P -1 | 8.554; 8.6844; 9.81 100.26; 109.1; 100.53 | 654.5 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2108655 | CIF | F6 Ga K3 | F m -3 m | 8.6649; 8.6649; 8.6649 90; 90; 90 | 650.565 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
2108614 | CIF HKL | Al Cu K O8 P2 | P 1 21/c 1 | 5.027; 14.047; 9.263 90; 102.29; 90 | 639.11 | Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure Acta Crystallographica Section B, 2020, 76 |
2108650 | CIF | C2 D10 O3 S | P 1 21/c 1 | 6.30238; 9.05654; 11.22025 90; 105.969; 90 | 615.714 | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system Acta Crystallographica Section B, 2020, 76 |
2022076 | CIF | C7 H6 O3 | P 1 21/c 1 | 4.8818; 11.2009; 11.2335 90; 92.621; 90 | 613.61 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022071 | CIF | C8 H17 N3 O5 | P 1 21 1 | 10.207; 4.78; 11.955 90; 101.39; 90 | 571.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022065 | CIF | C6 H16 Cl2 N2 O3 | P 1 21 1 | 8.6224; 7.0489; 9.8061 90; 106.486; 90 | 571.5 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022042 | CIF | C4 H9 N O3 | P 21 21 21 | 9.1735; 11.4736; 5.4171 90; 90; 90 | 570.166 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022035 | CIF | C4 H7 N3 O2 | P 1 21/c 1 | 7.7161; 9.8337; 7.5131 90; 100.523; 90 | 560.49 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022016 | CIF | C9 H14 N2 O2 S | P -1 | 7.2934; 7.8145; 10.2181 87.055; 70.569; 72.898 | 524.22 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022079 | CIF | C2 H4 N4 O4 | P 1 21/n 1 | 6.922; 6.501; 11.262 90; 90.485; 90 | 506.77 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022053 | CIF | C6 H8 O2 | C 1 2/m 1 | 12.402; 6.47; 6.321 90; 93.69; 90 | 506.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022026 | CIF | C2 H5 N3 O S | P 1 21/c 1 | 7.2359; 7.3713; 9.4768 90; 98.403; 90 | 500.05 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108696 | CIF | Ca0.12 Fe La0.88 O3 | P 1 | 7.860187; 7.839117; 7.860187 90; 89.7476; 90 | 484.316 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108698 | CIF | Ca0.12 Fe Nd0.88 O3 | P 1 | 7.793071; 7.757502; 7.793071 90; 88.7865; 90 | 471.023 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2022015 | CIF | C3 H7 N O3 | P 1 21/a 1 | 10.7764; 9.1947; 4.7788 90; 106.87; 90 | 453.13 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
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