Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108194 | CIF HKL | H7.84 K1.29 N1.71 O8 S2 | R -3 :H | 5.7768; 5.7768; 22.0983 90; 90; 120 | 638.65 | Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A. New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase Acta Crystallographica Section B, 2017, 73, 1105-1113 |
| 2108195 | CIF HKL | C15 H19 N2 O2.5 S | P 31 | 8.4102; 8.4102; 36.562 90; 90; 120 | 2239.61 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108196 | CIF HKL | C15 H18 N2 O2 S | P 21 21 21 | 6.2287; 8.9737; 25.9694 90; 90; 90 | 1451.55 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108197 | CIF HKL | C15 H18 N2 O2 S | P 1 21 1 | 7.3126; 27.1077; 7.3745 90; 106.064; 90 | 1404.75 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108198 | CIF HKL | C15 H18 N2 O2 S | P 1 21 1 | 9.8928; 9.0312; 16.447 90; 97.8246; 90 | 1455.76 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108199 | CIF HKL | C15 H18 N2 O2 S | P 1 | 7.4536; 7.4603; 13.6011 79.6877; 89.2981; 69.3688 | 695.31 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108200 | CIF HKL | C15 H18 N2 O2 S | P 21 21 21 | 9.8689; 10.6838; 13.6421 90; 90; 90 | 1438.39 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108201 | CIF HKL | C14 H16 N2 O2 S | P 43 21 2 | 7.743; 7.743; 43.5343 90; 90; 90 | 2610.06 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108202 | CIF HKL | C14 H16 N2 O2 S | P 21 21 21 | 10.0987; 11.0883; 12.0825 90; 90; 90 | 1352.97 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108203 | CIF HKL | C14 H16 N2 O2 S | P 21 21 21 | 7.7112; 11.6576; 14.8171 90; 90; 90 | 1332 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108204 | CIF HKL | C14 H16 N2 O2 S | P 21 21 21 | 13.4996; 14.5841; 20.5461 90; 90; 90 | 4045.1 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108205 | CIF | C4 H4 O4 | P b c a | 5.1174; 7.3666; 11.7174 90; 90; 90 | 441.72 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108206 | CIF | C4 H4 O4 | P b c a | 4.9209; 7.1818; 11.5243 90; 90; 90 | 407.28 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108207 | CIF | C4 H4 O4 | P b c a | 4.8571; 7.1033; 11.4462 90; 90; 90 | 394.91 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108208 | CIF | C4 H4 O4 | P b c a | 4.7757; 6.993; 11.3384 90; 90; 90 | 378.66 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108209 | CIF | C4 H4 O4 | P b c a | 4.7321; 6.9298; 11.2798 90; 90; 90 | 369.89 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108210 | CIF HKL | C18 H16 Cl N3 O2 | P b c a | 9.507; 7.9958; 43.262 90; 90; 90 | 3288.6 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108211 | CIF HKL | C49 H54 N6 O13 | P -1 | 9.304; 15.756; 15.829 94.54; 93.95; 104.56 | 2229.4 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108212 | CIF | C40 H36 N6 O8 | P 1 21/c 1 | 10.145; 18.472; 9.421 90; 91.423; 90 | 1764.9 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108213 | CIF HKL | C44 H44 N6 O8 | P -1 | 7.889; 9.157; 14.832 86.153; 83.38; 69.517 | 996.6 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108214 | CIF HKL | C48 H52 N6 O8 | P 1 21/c 1 | 7.5496; 16.434; 17.094 90; 93.547; 90 | 2116.8 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108215 | CIF HKL | Al16 F4.77 Mn24 O91.23 Si20.61 | I 41/a c d :2 | 11.6446; 11.6446; 11.6548 90; 90; 90 | 1580.35 | Antao, Sytle M.; Cruickshank, Laura A. Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets Acta Crystallographica Section B, 2018, 74, 104-114 |
| 2108216 | CIF HKL | Al0.48 Ca24 H32 Mn15.52 O96 Si16.19 | I 41/a c d :2 | 12.4908; 12.4908; 11.9092 90; 90; 90 | 1858.07 | Antao, Sytle M.; Cruickshank, Laura A. Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets Acta Crystallographica Section B, 2018, 74, 104-114 |
| 2108217 | CIF HKL | B4 Bi0.056 Fe3 O12 Y0.944 | P 31 2 1 | 9.5161; 9.5161; 7.5441 90; 90; 120 | 591.638 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108218 | CIF HKL | B4 Bi0.053 Fe3 O12 Y0.947 | P 31 2 1 | 9.5191; 9.5191; 7.5517 90; 90; 120 | 592.607 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108219 | CIF HKL | B4 Bi0.054 Fe3 O12 Y0.946 | P 31 2 1 | 9.5261; 9.5261; 7.5589 90; 90; 120 | 594.045 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108220 | CIF HKL | B4 Bi0.05 Fe3 O12 Y0.95 | P 31 2 1 | 9.5194; 9.5194; 7.5552 90; 90; 120 | 592.92 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108221 | CIF HKL | B4 Bi0.05 Fe3 O12 Y0.95 | P 31 2 1 | 9.5259; 9.5259; 7.5624 90; 90; 120 | 594.295 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108222 | CIF HKL | B4 Bi0.053 Fe3 O12 Y0.947 | P 31 2 1 | 9.5245; 9.5245; 7.557 90; 90; 120 | 593.696 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108223 | CIF HKL | B4 Bi0.05 Fe3 O12 Y0.95 | R 3 2 :H | 9.5272; 9.5272; 7.5618 90; 90; 120 | 594.41 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108224 | CIF HKL | B4 Bi0.051 Fe3 O12 Y0.949 | R 3 2 :H | 9.5265; 9.5265; 7.5561 90; 90; 120 | 593.875 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108225 | CIF HKL | B4 Bi0.053 Fe3 O12 Y0.947 | R 3 2 :H | 9.5321; 9.5321; 7.5627 90; 90; 120 | 595.093 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108226 | CIF HKL | B4 Bi0.054 Fe3 O12 Y0.946 | R 3 2 :H | 9.5394; 9.5394; 7.5765 90; 90; 120 | 597.092 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108227 | CIF HKL | B4 Bi0.05 Fe3 O12 Y0.95 | P 31 2 1 | 9.5131; 9.5131; 7.5396 90; 90; 120 | 590.912 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108228 | CIF HKL | B4 Bi0.058 Fe3 O12 Y0.942 | P 31 2 1 | 9.5217; 9.5217; 7.5547 90; 90; 120 | 593.167 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108229 | CIF HKL | B4 Bi0.047 Fe3 O12 Y0.953 | R 3 2 :H | 9.5282; 9.5282; 7.5609 90; 90; 120 | 594.464 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108230 | CIF HKL | B4 Bi0.042 Fe3 O12 Y0.958 | R 3 2 :H | 9.5254; 9.5254; 7.5674 90; 90; 120 | 594.626 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108231 | CIF HKL Paper | C2 H2 O8 Pb3 | R -3 m :H | 5.2475; 5.2475; 23.6795 90; 90; 120 | 564.69 | Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica Section B, 2018, 74 |
| 2108232 | CIF HKL | C0.67 H0.67 O2.67 Pb | R -3 m :H | 5.257; 5.257; 23.636 90; 90; 120 | 565.7 | Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica Section B, 2018, 74 |
| 2108233 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108234 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108235 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108236 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108237 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108238 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108239 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108240 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108241 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108242 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1662; 12.868; 14.1927 93.4772; 116.143; 90.6664 | 1335.14 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108243 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.172; 12.8675; 14.189 93.4437; 116.073; 90.649 | 1336.58 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108244 | CIF HKL Paper | Al1.6 Ca0.6 Na0.4 O8 Si2.4 | I -1 | 8.1602; 12.8612; 14.1975 93.5348; 116.118; 90.4334 | 1334.33 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108245 | CIF HKL | B4 Er6 O15 | P 1 21/n 1 | 8.3553; 15.4882; 8.8208 90; 91.899; 90 | 1140.86 | Wang, Yan; Zhang, Wei; Li, Ziyi; Li, Jianfu; Zhu, Zhaojie; You, Zhenyu; Tu, Chaoyang Crystal growth, structure and characterization of Er~6~B~4~O~15~ as self-activated eye-safe laser material within the near-infrared waveband Acta Crystallographica Section B, 2018, 74 |
| 2108246 | CIF HKL Paper | K2 O12 Si5 Zn | I a -3 d | 13.3772; 13.3772; 13.3772 90; 90; 90 | 2393.84 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108247 | CIF HKL Paper | Mn O12 Rb2 Si5 | I a -3 d | 13.5635; 13.5635; 13.5635 90; 90; 90 | 2495.26 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108248 | CIF HKL Paper | Fe K2 O12 Si5 | P 1 21/c 1 | 13.2574; 13.6739; 12.924 90; 93.048; 90 | 2339.55 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108249 | CIF HKL Paper | K2 O12 Si5 Zn | P 1 21/c 1 | 13.1773; 13.6106; 13.02481 90; 91.6981; 90 | 2334.99 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108250 | CIF HKL Paper | Co K2 O12 Si5 | P 1 21/c 1 | 13.18783; 13.63495; 12.98764 90; 91.9994; 90 | 2333.96 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108251 | CIF HKL Paper | Co K2 O12 Si5 | I a -3 d | 13.3767; 13.3767; 13.3767 90; 90; 90 | 2393.57 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108252 | CIF HKL | Bi2 O6 W | P c a 21 | 5.4345; 16.4324; 5.4558 90; 90; 90 | 487.21 | Okudera, Hiroki; Sakai, Yuka; Yamagata, Kentaro; Takeda, Hiroaki Structure of russellite (Bi~2~WO~6~): origin of ferroelectricity and the effect of the stereoactive lone electron pair on the structure Acta Crystallographica Section B, 2018, 74, 295-303 |
| 2108253 | CIF HKL | C13 H25 N3 O3 | P 21 21 21 | 5.341; 13.536; 21.406 90; 90; 90 | 1547.6 | Görbitz, Carl Henrik Hydrophobic dipeptides: the final piece in the puzzle Acta Crystallographica Section B, 2018, 74, 311-318 |
| 2108254 | CIF | C33 H36 N6 | P 21 21 21 | 54.631; 8.004; 6.5754 90; 90; 90 | 2875.2 | Gorelik, Tatiana E.; van de Streek, Jacco; Meier, Herbert; Andernach, Lars; Opatz, Till Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction Acta Crystallographica Section B, 2018, 74, 287-294 |
| 2108255 | CIF HKL | C21 H29 N O4 S | P 1 21/c 1 | 8.7198; 20.996; 10.9186 90; 94.357; 90 | 1993.2 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate Acta Crystallographica Section B, 2018, 74, 304-310 |
| 2108256 | CIF HKL | C21 H31 N O5 S | P 1 21/n 1 | 8.2086; 17.9355; 15.0983 90; 94.77; 90 | 2215.15 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate Acta Crystallographica Section B, 2018, 74, 304-310 |
| 2108257 | CIF HKL | C14 H15 Fe N2 O7 | P -1 | 8.6448; 9.026; 10.773 93.169; 100.097; 99.996 | 811.8 | Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B, 2018, 74 |
| 2108258 | CIF HKL | C48 H40 Fe4 N4 O24 | P -4 21 c | 13.2415; 13.2415; 14.9977 90; 90; 90 | 2629.7 | Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B, 2018, 74 |
| 2108259 | CIF HKL | C48 H40 Fe4 N4 O24 | P -1 | 14.5961; 14.7434; 15.214 112.713; 106.08; 105.946 | 2619.1 | Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B, 2018, 74 |
| 2108260 | CIF HKL | Cu0.184 F3 H8 Mg0.816 O12 U3 | C 1 m 1 | 7.1015; 11.7489; 8.1954 90; 98.087; 90 | 676.98 | Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine Acta Crystallographica Section B, 2018, 74 |
| 2108261 | CIF HKL | C12 H13 N | P 21 21 21 | 6.1147; 7.9668; 19.4856 90; 90; 90 | 949.23 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108262 | CIF HKL | C13 H14 Br N | P 1 21/c 1 | 8.7856; 11.6453; 10.6401 90; 90.47; 90 | 1088.56 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108263 | CIF HKL | C13 H14 Br N | P b c n | 23.769; 11.2921; 8.2022 90; 90; 90 | 2201.5 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108264 | CIF HKL | C13 H14 Br N | P 1 21/c 1 | 9.54; 6.2063; 18.8852 90; 98.474; 90 | 1105.95 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108265 | CIF HKL | C13 H14 Cl N | P 1 21/c 1 | 8.6883; 11.7901; 10.3129 90; 90.892; 90 | 1056.3 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108266 | CIF HKL | C13 H14 Cl N | P 1 21/c 1 | 12.1278; 8.1084; 11.2668 90; 108.995; 90 | 1047.61 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108267 | CIF HKL | C13 H14 Cl N | P 1 21/n 1 | 9.8035; 22.7092; 9.9786 90; 101.405; 90 | 2177.7 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108268 | CIF HKL | C13 H14 F N | P b c n | 11.9582; 9.106; 18.7079 90; 90; 90 | 2037.1 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108269 | CIF HKL | C13 H14 F N | P 1 21/n 1 | 9.8202; 22.0098; 9.8725 90; 101.926; 90 | 2087.8 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108270 | CIF HKL | C12 H12 Br N | P b c a | 10.1791; 8.7625; 22.946 90; 90; 90 | 2046.7 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108271 | CIF HKL | C12 H12 Br N | C 1 2/c 1 | 24.4539; 6.168; 16.2352 90; 124.277; 90 | 2023.5 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108272 | CIF HKL | C12 H12 Cl N | P b c a | 10.8001; 8.8083; 21.0408 90; 90; 90 | 2001.6 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108273 | CIF HKL | C12 H12 Cl N | P 1 21 1 | 5.7132; 8.1116; 10.878 90; 96.698; 90 | 500.68 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108274 | CIF HKL | C12 H12 Cl N | C 1 2/c 1 | 24.4577; 6.0867; 16.309 90; 125.8; 90 | 1969.2 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108275 | CIF HKL | C12 H12 F N | C 1 2/c 1 | 17.4633; 11.1118; 9.6718 90; 91.282; 90 | 1876.33 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108276 | CIF HKL | C12 H12 F N | P 21 21 21 | 6.1937; 7.4492; 19.92 90; 90; 90 | 919.07 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108277 | CIF HKL | C12 H12 F N | P 21 21 21 | 6.0226; 7.8459; 20.1968 90; 90; 90 | 954.35 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108278 | CIF HKL | C12 H12 F N | P 1 21/n 1 | 10.5411; 8.1081; 21.98 90; 98.61; 90 | 1857.4 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108279 | CIF HKL Paper | C13 H11 N15 O18 | P b c a | 9.6268; 19.292; 24.606 90; 90; 90 | 4569.8 | Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu High-density HNIW/TNT cocrystal synthesized using a green chemical method Acta Crystallographica Section B, 2018, 74 |
| 2108280 | CIF HKL | C10 H8 | P 1 21/a 1 | 7.7154; 5.9019; 7.6969 90; 100.411; 90 | 344.712 | Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A. Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder Acta Crystallographica Section B, 2018, 74 |
| 2108281 | CIF HKL | C18 H24 Au Fe P | P b c a | 13.8822; 11.6188; 22.115 90; 90; 90 | 3567 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
| 2108282 | CIF HKL | C18 H24 Au Fe P | P b c a | 13.8732; 11.6316; 22.124 90; 90; 90 | 3570.1 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
| 2108283 | CIF HKL | C18 H24 Au Fe P | P b 21 a | 13.872; 11.644; 21.96 90; 90; 90 | 3547 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
| 2108284 | CIF HKL | C18 H24 Au Fe P | P b c a | 14.0011; 11.6244; 21.893 90; 90; 90 | 3563.2 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
| 2108285 | CIF HKL Paper | C14 H8 F3 O | P 1 21/c 1 | 23.238; 7.5293; 6.2437 90; 92.83; 90 | 1091.1 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
| 2108286 | CIF HKL Paper | C14 H8 F3 O | P 1 21/c 1 | 11.505; 6.235; 16.0118 90; 109.293; 90 | 1084.08 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
| 2108287 | CIF HKL Paper | C28 H16 F6 O2 | P 1 21/c 1 | 20.5435; 6.2569; 35.797 90; 106.649; 90 | 4408.4 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
| 2108288 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.8682; 14.9766; 13.4758 90; 90.378; 90 | 780.67 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
| 2108289 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.79937; 14.8635; 13.3272 90; 89.674; 90 | 752.6 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
| 2108290 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.83433; 23.9377; 17.2355 90; 94.293; 90 | 1577.52 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
| 2108291 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.76927; 23.6053; 17.174 90; 94.902; 90 | 1522.46 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
| 2108292 | CIF HKL | C12 H24 Ca O15 | P 21 21 21 | 6.71198; 13.3641; 19.5439 90; 90; 90 | 1753.08 | Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P. Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate Acta Crystallographica Section B, 2018, 74 |
| 2108293 | CIF HKL | C12 H22 Ca O12 | P 21 21 2 | 6.7573; 19.5874; 5.7344 90; 90; 90 | 758.99 | Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P. Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate Acta Crystallographica Section B, 2018, 74 |
| 2108294 | CIF | C13 H11 N3 O2 | P 1 21/c 1 | 8.4553; 10.1812; 13.408 90; 98.646; 90 | 1141.1 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108295 | CIF | C13 H13 N3 O3 | P b c a | 7.0488; 12.15; 28.649 90; 90; 90 | 2453.6 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108296 | CIF Paper | C13 H10 I N3 O | P -1 | 10.0223; 11.1984; 12.4505 109.836; 101.25; 97.494 | 1259.58 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108297 | CIF | C15 H11 I N4 | I 41 | 15.0197; 15.0197; 12.8791 90; 90; 90 | 2905.41 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108298 | CIF | C15 H11 Br N4 | P 1 21/c 1 | 14.8761; 4.0269; 23.183 90; 105.81; 90 | 1336.23 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108299 | CIF | C16 H14 Cl2 N4 O | P 1 21/c 1 | 9.51859; 15.70955; 21.6869 90; 98.0651; 90 | 3210.83 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108300 | CIF | C13 H10 Br N3 O | P 1 21/c 1 | 18.763; 6.5126; 10.1237 90; 95.458; 90 | 1231.5 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108301 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 4.7568; 19.9611; 13.4063 90; 98.457; 90 | 1259.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108302 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/n 1 | 4.808; 9.7371; 27.708 90; 91.735; 90 | 1296.6 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108303 | CIF HKL Paper | C14 H9 Cl F3 N O | P -1 | 4.8189; 9.4501; 14.0283 96.048; 93.4; 93.414 | 632.77 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108304 | CIF HKL Paper | C14 H9 Cl F3 N O | P c a 21 | 7.7658; 19.1333; 8.8369 90; 90; 90 | 1313.03 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108305 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 25.6147; 5.3354; 9.3918 90; 96.775; 90 | 1274.56 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108306 | CIF HKL Paper | C14 H9 Cl F3 N O | P -1 | 5.1563; 10.7617; 11.9075 99.948; 91.911; 102.379 | 633.98 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108307 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 9.445; 15.275; 18.954 90; 97.374; 90 | 2711.9 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108308 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 12.8325; 10.3856; 9.7379 90; 93.059; 90 | 1295.95 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108309 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 16.952; 5.2521; 28.76 90; 94.966; 90 | 2551 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108310 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/n 1 | 4.7992; 10.0208; 27.428 90; 91.755; 90 | 1318.44 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108311 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/n 1 | 4.8056; 27.8678; 9.8421 90; 94.227; 90 | 1314.48 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108312 | CIF HKL Paper | C14 H9 Br F3 N O | P c a 21 | 7.8062; 19.3; 8.8433 90; 90; 90 | 1332.33 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108313 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21 1 | 4.8588; 4.9939; 26.0286 90; 91.448; 90 | 631.37 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108314 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/c 1 | 13.018; 10.488; 9.7309 90; 94.432; 90 | 1324.6 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108315 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/c 1 | 16.9434; 5.2417; 29.141 90; 94.775; 90 | 2579.09 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108316 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 20.7974; 6.5752; 9.6889 90; 93.899; 90 | 1321.86 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108317 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 11.0022; 4.7359; 26.562 90; 97.636; 90 | 1371.7 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108318 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 20.584; 7.1797; 9.1451 90; 97.122; 90 | 1341.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108319 | CIF HKL Paper | C14 H9 F3 I N O | P c a 21 | 7.9499; 19.6384; 8.8397 90; 90; 90 | 1380.08 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108320 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 26.9793; 5.2899; 9.5068 90; 95.747; 90 | 1349.97 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108321 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21 1 | 4.9085; 4.9644; 26.7593 90; 92.549; 90 | 651.42 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108322 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 13.292; 10.708; 9.762 90; 96.305; 90 | 1381 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108323 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 14.7689; 5.2518; 17.2537 90; 93.217; 90 | 1336.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108324 | CIF HKL | C24 H22 Cl N9 O5 S | P -1 | 7.522; 8.11; 20.892 92.574; 98.836; 103.844 | 1218.3 | Peng, Bo; Wang, Jian-Rong; Mei, Xuefeng Triamterene–furosemide salt: structural aspects and physicochemical evaluation Acta Crystallographica Section B, 2018, 74 |
| 2108325 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 3.9978; 3.9978; 3.9978 90; 90; 90 | 63.894 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108326 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0406; 4.0406; 4.0406 90; 90; 90 | 65.969 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108327 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0581; 4.0581; 4.0581 90; 90; 90 | 66.83 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108328 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0763; 4.0763; 4.0763 90; 90; 90 | 67.733 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108329 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 3.997; 3.997; 3.997 90; 90; 90 | 63.86 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108330 | CIF | C8 H16 Cu2 O10 | C 1 2/c 1 | 13.08438; 8.50319; 14.05022 90; 119.309; 90 | 1363.12 | Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Acta Crystallographica Section B, 2018, 74 |
| 2108331 | CIF | C8 H16 Cr2 O10 | C 1 2/c 1 | 13.10149; 8.56324; 14.14837 90; 119.121; 90 | 1386.68 | Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Acta Crystallographica Section B, 2018, 74 |
| 2108332 | CIF HKL | H0 Na2 O14 Si4 V | P 1 21 1 | 14.3328; 9.1209; 10.3732 90; 90.007; 90 | 1356.07 | Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B, 2018, 74, 483-491 |
| 2108333 | CIF | H0 Na2 O14 Si4 V | P 1 21 1 | 14.364; 9.134; 10.373 90; 90.056; 90 | 1360.9 | Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B, 2018, 74, 483-491 |
| 2108334 | CIF | H0 Na2 O11 Si4 V | P 1 21 1 | 12.584; 9.525; 9.696 90; 90.1; 90 | 1162 | Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B, 2018, 74, 483-491 |
| 2108335 | CIF HKL | C14 H12 N2 O2 | P b c a | 14.5448; 6.5214; 23.8246 90; 90; 90 | 2259.82 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108336 | CIF HKL | C13 H9 Br N2 O | P 1 21/c 1 | 12.8423; 7.0971; 12.6239 90; 107.188; 90 | 1099.19 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108337 | CIF HKL | C22 H20 B2 N2 O4 | P 1 21 1 | 10.7147; 34.282; 10.9168 90; 93.176; 90 | 4003.8 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108338 | CIF HKL | C43 H38 B4 N4 O9 | C 1 2/c 1 | 21.8035; 10.4647; 19.3032 90; 111.794; 90 | 4089.6 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108339 | CIF HKL | C19 H13 B2 Br N2 O3 | P -1 | 8.9492; 14.5926; 15.0762 66.778; 82.477; 86.204 | 1793.5 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108340 | CIF HKL Paper | Br2 Cu O6 Pb2 Se2 | P 1 21/n 1 | 6.9097; 5.5036; 24.8544 90; 93.808; 90 | 943.08 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108341 | CIF HKL | Br6 Cu O12 Pb6 Se4 | P 1 21/c 1 | 11.154; 12.95; 19.834 90; 123.74; 90 | 2382 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108342 | CIF HKL | Br0.67 Cu0.67 O2 Pb0.33 Se0.67 | C m c m | 8.275; 9.303; 11.891 90; 90; 90 | 915.4 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108343 | CIF HKL | Br Cu2 O6 Pb0.5 Se2 | C 1 2/c 1 | 19.434; 8.542; 9.039 90; 100.684; 90 | 1474.5 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108344 | CIF HKL | Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5 | C 1 2/m 1 | 19.502; 5.2408; 16.469 90; 102.769; 90 | 1641.6 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108345 | CIF HKL | Br1.75 Cu2.5 O4 Pb0.5 Se | C 1 2/m 1 | 19.049; 6.226; 12.726 90; 109.843; 90 | 1419.7 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108346 | CIF HKL | Br1.17 Cu1.92 O3 Pb0.25 Se0.75 | C 1 2/m 1 | 19.146; 6.2686; 17.296 90; 99.27; 90 | 2048.7 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108347 | CIF HKL | Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33 | C 1 2/m 1 | 38.0763; 6.2308; 11.1897 90; 94.955; 90 | 2644.8 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108348 | CIF HKL | Br22.16 Cu28 O64 Pb17.06 Se16 | C m m m | 23.943; 20.268; 6.313 90; 90; 90 | 3064 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108349 | CIF HKL | C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6 | R -3 m :H | 7.1255; 7.1255; 66.2902 90; 90; 120 | 2914.81 | Krüger, Biljana; Krüger, Hannes; Galuskin, Evgeny V.; Galuskina, Irina O.; Vapnik, Yevgeny; Olieric, Vincent; Pauluhn, Anuschka Aravaite, Ba~2~Ca~18~(SiO~4~)~6~(PO~4~)~3~(CO~3~)F~3~O: modular structure and disorder of a new mineral with single and triple antiperovskite layers Acta Crystallographica Section B, 2018, 74, 492-501 |
| 2108350 | CIF HKL Paper | F7 H12 N3 Ti | P a -3 | 11.78316; 11.78316; 11.78316 90; 90; 90 | 1636.01 | Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M. Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931 |
| 2108351 | CIF Paper | C4 H12 Al N | P 1 21/c 1 | 7.40203; 12.96634; 7.28776 90; 90.6602; 90 | 699.41 | Bernert, Thomas; Ley, Morten Brix; Ruiz-Fuertes, Javier; Fischer, Michael; Felderhoff, Michael; Weidenthaler, Claudia Title (type here to add) Acta Crystallographica, Section B, 2016, 72, 232-240 |
| 2108352 | CIF HKL Paper | Ca5 Cl0.9 F0.1 O12 P3 | P 63/m | 9.502; 9.502; 6.8356 90; 90; 120 | 534.5 | Christoph, Staehli; Thuering, Juerg; Galea, Laetitia; Tadier, Solene; Bohner, Marc; Doebelin, Nicola Hydrogen-substituted beta-tricalcium phosphate synthesized in organic media Acta Crystallographica, Section B, 2016, 72, 875-884 |
| 2108353 | CIF | C38 H42 N8 Se6 | P -1 | 9.797; 10.56; 10.656 87.528; 69.844; 87.528 | 1033.5 | Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs Acta Crystallographica Section B, 2019, 75, 34-38 |
| 2108354 | CIF | C36 H34 N6 O2 Se6 | P -1 | 10.008; 10.4345; 10.76 93.538; 117.528; 95.282 | 985.3 | Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs Acta Crystallographica Section B, 2019, 75, 34-38 |
| 2108355 | CIF | C36 H34 N8 O4 Se6 | P -1 | 10.187; 10.415; 11.232 75.891; 82.213; 61.753 | 1017.8 | Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs Acta Crystallographica Section B, 2019, 75, 34-38 |
| 2108356 | CIF HKL | Al72 Au2.5 Ir29.5 | I 41/a c d | 8.6339; 8.6339; 21.8874 90; 90; 90 | 1631.58 | Kadok, Joris; de Weerd, Marie-Cécile; Boulet, Pascal; Fournée, Vincent; Ledieu, Julian A new ternary compound with the BGa~8~Ir~4~ structure type in the Al‒Au‒Ir system Acta Crystallographica Section B, 2019, 75, 49-52 |
| 2108357 | CIF | C6 H3 Cu F N4 O2 | P 21 21 21 | 6.6235; 9.4208; 12.5188 90; 90; 90 | 781.16 | Ming, Mei; Shi, Jun Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols Acta Crystallographica Section B, 2019, 75 |
| 2108358 | CIF HKL | C26 H20 Cu3 F4 N10 O10 | P 1 21/n 1 | 10.441; 8.058; 19.542 90; 95.92; 90 | 1635.4 | Ming, Mei; Shi, Jun Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols Acta Crystallographica Section B, 2019, 75 |
| 2108359 | CIF HKL | C28 H24 Cu3 F4 N10 O10 | P 1 21/n 1 | 10.3405; 8.6279; 19.594 90; 98.153; 90 | 1730.4 | Ming, Mei; Shi, Jun Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols Acta Crystallographica Section B, 2019, 75 |
| 2108360 | CIF HKL | C38 H24 Cu5 F6 N18 O14 | P -1 | 7.2091; 12.3296; 13.5573 99.68; 101.459; 90.199 | 1163.4 | Ming, Mei; Shi, Jun Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols Acta Crystallographica Section B, 2019, 75 |
| 2108361 | CIF HKL | C16 H22 N10 O10 | P -1 | 6.7486; 10.5419; 15.658 81.293; 79.732; 79.974 | 1071.02 | Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna M. A proposal for coherent nomenclature of multicomponent crystals Acta Crystallographica Section B, 2019, 75 |
| 2108362 | CIF HKL | C17 H10 N2 | P 1 21/c 1 | 4.064; 16.58; 17.57 90; 91.53; 90 | 1183 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108363 | CIF HKL | C17 H10 N2 | P c c n | 4.1239; 16.404; 17.252 90; 90; 90 | 1167.1 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108364 | CIF HKL | C17 H10 N2 | P c a 21 | 7.394; 10.953; 29.06 90; 90; 90 | 2353 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108365 | CIF HKL | C17 H10 N2 | P 1 21/a 1 | 8.2204; 10.898; 26.905 90; 98.691; 90 | 2382.6 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108366 | CIF HKL | C16 H9 N3 | P m n 21 | 19.316; 3.7013; 7.7676 90; 90; 90 | 555.3 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108367 | CIF HKL | C16 H9 N3 | P 1 21/c 1 | 4.0049; 16.518; 17.179 90; 90.007; 90 | 1136.4 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108368 | CIF HKL | C16 H9 N3 | P c c n | 4.0741; 16.416; 17.23 90; 90; 90 | 1152.3 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108369 | CIF HKL | H4 N2 O3 W | P 32 2 1 | 5.79842; 5.79842; 9.2341 90; 90; 120 | 268.871 | Giovannelli, F.; Mathieu, C.; Fritsch, K.; Adil, K.; Goutenoire, F.; Habicht, K.; Delorme, F. Room-temperature synthesis of a new stable (N~2~H~4~)WO~3~ compound: a route for hydrazine trapping Acta Crystallographica Section B, 2019, 75 |
| 2108370 | CIF HKL Paper | C10 H17 N O6 | C 1 2 1 | 21.2256; 5.67647; 32.0621 90; 100.17; 90 | 3802.35 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108371 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.2633; 5.67322; 32.053 90; 100.076; 90 | 3807 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108372 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.33; 5.67423; 32.0776 90; 99.937; 90 | 3824.15 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108373 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.3889; 5.67352; 32.0754 90; 99.818; 90 | 3835.4 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108374 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.4563; 5.67251; 32.0779 90; 99.653; 90 | 3849 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108375 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.5229; 5.6692; 32.0754 90; 99.486; 90 | 3860.2 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108376 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.6021; 5.6701; 32.0856 90; 99.299; 90 | 3878.4 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108377 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.6777; 5.665; 32.0878 90; 99.115; 90 | 3890.8 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108378 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.7528; 5.6663; 32.0956 90; 98.955; 90 | 3907.8 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108379 | CIF HKL Paper | Al84 Cu26 Li40 Mg12 | I m -3 | 13.8451; 13.8451; 13.8451 90; 90; 90 | 2653.92 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ehrenberg, Helmut Li~20~Mg~6~Cu~13~Al~42~: a new ordered quaternary superstructure to the icosahedral <i>T</i>-Mg~32~(Zn,Al)~49~ phase with fullerene-like Al~60~ cluster Acta Crystallographica Section B, 2019, 75 |
| 2108380 | CIF HKL | C14 H24 Cl N O | P 1 21 1 | 7.1062; 11.5821; 17.3894 90; 94.9978; 90 | 1425.79 | Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R. Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride Acta Crystallographica Section B, 2019, 75 |
| 2108381 | CIF HKL | C14 H24 Cl N O | P 1 21 1 | 7.135; 11.6402; 17.4546 90; 94.7791; 90 | 1444.61 | Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R. Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride Acta Crystallographica Section B, 2019, 75 |
| 2108382 | CIF HKL | C14 H24 Cl N O | P 21 21 21 | 7.0653; 11.8351; 17.6593 90; 90; 90 | 1476.64 | Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R. Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride Acta Crystallographica Section B, 2019, 75 |
| 2108383 | CIF HKL | C15 H12 O9.5 | C 1 2 1 | 23.2416; 5.2305; 25.4061 90; 102.634; 90 | 3013.7 | Terekhov, Roman P.; Selivanova, Irina A.; Tyukavkina, Nonna A.; Shylov, Genadiy V.; Utenishev, Andrey N.; Porozov, Yuri B. Taxifolin tubes: crystal engineering and characteristics Acta Crystallographica Section B, 2019, 75 |
| 2108384 | CIF Paper | C40 H50 N2 O12 | P 1 21/c 1 | 12.078; 30.555; 10.2038 90; 107.272; 90 | 3595.8 | Shishkina, Svitlana V.; Isaiev, Ivan A.; Urzhuntseva, Viktoriya V.; Palchykov, Vitalii A. The formation of the salt and neutral molecule cocrystal from equimolar solution of heliamine and bicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,3-dicarboxylic acid Acta Crystallographica Section B, 2019, 75 |
| 2108385 | CIF HKL | C26 H26 N4 O4 | C 1 2 1 | 23.479; 8.602; 16.899 90; 129.963; 90 | 2615.9 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108386 | CIF HKL | C30 H34 N4 O6 | C 1 2 1 | 22.9673; 8.8676; 16.7749 90; 118.613; 90 | 2999.2 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid–ammonium heterodimer and N~(ammonium)~–H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108387 | CIF HKL | C28 H29 N5 O4 | P 21 21 21 | 11.77; 14.079; 16.502 90; 90; 90 | 2735 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid–ammonium heterodimer and N~(ammonium)~–H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108388 | CIF HKL | C26 H26 N4 O4 | P 65 2 2 | 13.854; 13.854; 27.167 90; 90; 120 | 4515.7 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108389 | CIF HKL | C12 H24 I2 O12 Sr | P 1 21 1 | 7.8592; 12.9355; 9.9504 90; 92.803; 90 | 1010.37 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties Acta Crystallographica Section B, 2019, 75 |
| 2108390 | CIF HKL | C36 H86 I8 O43 Sr4 | P 21 21 21 | 12.3717; 17.4352; 17.6607 90; 90; 90 | 3809.47 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal–organic frameworks with nonlinear optical properties Acta Crystallographica Section B, 2019, 75 |
| 2108391 | CIF HKL | C6 H18 I2 O9 Sr | P 21 21 21 | 9.1192; 13.0908; 13.5504 90; 90; 90 | 1617.61 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties Acta Crystallographica Section B, 2019, 75 |
| 2108392 | CIF | Ge Te | P n m a | 7.369; 3.9249; 5.698 90; 90; 90 | 164.8 | Herrmann, Markus Guido; Stoffel, Ralf Peter; Küpers, Michael; Ait Haddouch, Mohammed; Eich, Andreas; Glazyrin, Konstantin; Grzechnik, Andrzej; Dronskowski, Richard; Friese, Karen New insights on the GeSe<i>~{ıt x~</i>}Te~1{-~<i>x</i>} phase diagram from theory and experiment Acta Crystallographica Section B, 2019, 75 |
| 2108393 | CIF HKL | C7 H11 F Ge3.84 N2 O24 Si8.16 | I m m a | 14.9725; 5.2733; 17.0318 90; 90; 90 | 1344.7 | Wang, Xiaoge; Shen, Yihan; Liu, Rongli; Liu, Xiaolong; Lin, Cong; Shi, Dier; Chen, Yanping; Liao, Fuhui; Lin, Jianhua; Sun, Junliang Elucidation of correlated disorder in zeolite IM-18 Acta Crystallographica Section B, 2019, 75 |
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