Crystallography Open Database
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Result: there are 225 entries in the selection
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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 77
COD ID ![]() |
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Space group ![]() |
Cell parameters | Cell volume ![]() |
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2108761 | CIF | C10 H11 N O3 | P 1 21/c 1 | 8.6809; 10.8826; 9.6214 90; 90.15; 90 | 908.94 | Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data Acta Crystallographica Section B, 2021, 77 |
2108762 | CIF Paper | C16 H26 O6 | C 1 2 1 | 12.5887; 6.9; 18.2523 90; 107.227; 90 | 1514.31 | Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal Acta Crystallographica Section B, 2021, 77 |
2108763 | CIF HKL | La3 Li6.27 O12 Ta1.09 Zr0.91 | I a -3 d | 12.8511; 12.8511; 12.8511 90; 90; 90 | 2122.37 | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) Acta Crystallographica Section B, 2021, 77, 123-130 |
2108764 | CIF HKL | La3 Li6.27 O12 Ta1.09 Zr0.91 | I a -3 d | 12.8592; 12.8592; 12.8592 90; 90; 90 | 2126.38 | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) Acta Crystallographica Section B, 2021, 77, 123-130 |
2108765 | CIF HKL | La3 Li6.27 O12 Ta1.09 Zr0.91 | I a -3 d | 12.8775; 12.8775; 12.8775 90; 90; 90 | 2135.48 | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) Acta Crystallographica Section B, 2021, 77, 123-130 |
2108766 | CIF HKL | La3 Li6.27 O12 Ta1.09 Zr0.91 | I a -3 d | 12.9051; 12.9051; 12.9051 90; 90; 90 | 2149.24 | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) Acta Crystallographica Section B, 2021, 77, 123-130 |
2108767 | CIF HKL | C14 H6 N6 O12 | C 1 2/c 1 | 21.221; 10.308; 19.4134 90; 129.087; 90 | 3296.17 | Liu, Yunzhang; Chen, Lizhen; Wang, Jianlong; Chen, Jun; Wang, Jingqi; Pan, Hongxia The crystal structure and thermal decomposition kinetics of <i>cis</i>-hexanitrostilbene Acta Crystallographica Section B, 2021, 77 |
2108768 | CIF HKL Paper | C34 H32 N8 Ni2 O8 S2 | P 1 21/c 1 | 9.9403; 11.5796; 16.0806 90; 101.178; 90 | 1815.84 | Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis Acta Crystallographica Section B, 2021, 77, 168-181 |
2108769 | CIF HKL Paper | C32 H32 N12 Ni2 O8 | P 1 21/n 1 | 11.6387; 10.0171; 14.794 90; 96.348; 90 | 1714.2 | Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis Acta Crystallographica Section B, 2021, 77, 168-181 |
2108770 | CIF HKL Paper | C18 H16 N6 Ni O4 | P 1 21/n 1 | 9.5255; 17.0181; 11.2611 90; 93.25; 90 | 1822.6 | Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis Acta Crystallographica Section B, 2021, 77, 168-181 |
2108771 | CIF HKL | Cu2 Ge Se3 | C 1 c 1 | 6.7703; 11.8624; 6.7705 90; 108.512; 90 | 515.62 | Dugarte-Dugarte, Analio; Ramírez Pineda, Nahum; Nieves, Luis; Henao, José Antonio; Díaz de Delgado, Graciela; Delgado, José Miguel The crystal structure of Cu~2~GeSe~3~ and the structure-types of the I~2~-IV-VI~3~ family of semiconducting compounds Acta Crystallographica Section B, 2021, 77, 158-167 |
2108772 | CIF HKL Paper | C5 H12 O5 | P 21 21 21 | 8.2993; 8.9697; 8.9693 90; 90; 90 | 667.69 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
2108773 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.2694; 8.9403; 8.8438 90; 90; 90 | 653.83 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
2108774 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.2305; 8.8992; 8.7624 90; 90; 90 | 641.8 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
2108775 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.2213; 8.883; 8.7242 90; 90; 90 | 637.13 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
2108776 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.204; 8.854; 8.6809 90; 90; 90 | 630.6 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
2108777 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.154; 8.7964; 8.561 90; 90; 90 | 614.04 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
2108778 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.105; 8.752; 8.462 90; 90; 90 | 600.3 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
2108779 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.0845; 8.67; 8.3725 90; 90; 90 | 586.9 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
2108780 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.0696; 8.65; 8.309 90; 90; 90 | 580 | Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B, 2021, 77 |
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