Crystallography Open Database
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Result: there are 195 entries in the selection
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Searching journal of publication like 'Acta Crystallographica Section A'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1008745 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.5 | Klein, S; Weitzel, H Magnetische Struktur von Mn (Nb0.5 Ta0.5)2 O6, Manganotantalit Acta Crystallographica A (24,1968-38,1982), 1976, 32, 587-591 |
| 2019332 | CIF | C3 H7 N O3 | P 1 21/a 1 | 10.7355; 9.1456; 4.8304 90; 106.46; 90 | 454.82 | Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P. The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution Acta Crystallographica Section A Foundations of Crystallography, 2005, 61, 314-320 |
| 2019333 | CIF | C3 H7 N O3 | P 1 21/a 1 | 10.7621; 9.1771; 4.7883 90; 106.76; 90 | 452.83 | Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P. The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution Acta Crystallographica Section A Foundations of Crystallography, 2005, 61, 314-320 |
| 2019334 | CIF | C3 H7 N O3 | P 1 21/a 1 | 10.7764; 9.1947; 4.7788 90; 106.87; 90 | 453.13 | Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P. The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution Acta Crystallographica Section A Foundations of Crystallography, 2005, 61, 314-320 |
| 2019335 | CIF Paper | C24 H36 O3 | P 21 21 21 | 7.7228; 14.2576; 18.7153 90; 90; 90 | 2060.72 | Dittrich, B.; Strumpel, M.; Schäfer, M.; Spackman, M. A.; Koritsánszky, T. Invarioms for improved absolute structure determination of light-atom crystal structures Acta Crystallographica Section A Foundations of Crystallography, 2006, 62, 217-223 |
| 2019352 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Madsen, Anders Østergaard; Sørensen, Henning Osholm; Flensburg, Claus; Stewart, Robert F.; Larsen, Sine Modeling of the nuclear parameters for H atoms in X-ray charge-density studies Acta Crystallographica Section A Foundations of Crystallography, 2004, 60, 550-561 |
| 2019353 | CIF Paper | H2 Li2 O5 S | P 1 21 1 | 5.4484; 4.8339; 8.1407 90; 107.191; 90 | 204.823 | Schmidt, O.; Gorfman, S.; Bohatý, L.; Neumann, E.; Engelen, B.; Pietsch, U. Investigations of the bond-selective response in a piezoelectric Li2SO4·H2O crystal to an applied external electric field Acta Crystallographica Section A Foundations of Crystallography, 2009, 65, 267-275 |
| 2019354 | CIF | C3 H6 N6 O6 | P b c a | 11.379; 10.5694; 13.1314 90; 90; 90 | 1579.3 | Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography, 2011, 67, 160-173 |
| 2019355 | CIF | C3 H6 N6 O6 | P b c a | 11.379; 10.5694; 13.1314 90; 90; 90 | 1579.3 | Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography, 2011, 67, 160-173 |
| 2019356 | CIF | C3 H6 N6 O6 | P b c a | 11.4425; 10.6106; 13.1558 90; 90; 90 | 1597.27 | Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography, 2011, 67, 160-173 |
| 2019357 | CIF | C3 H6 N6 O6 | P b c a | 11.4425; 10.6106; 13.1558 90; 90; 90 | 1597.27 | Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography, 2011, 67, 160-173 |
| 2019358 | CIF | C3 H6 N6 O6 | P b c a | 11.6103; 10.7291; 13.2013 90; 90; 90 | 1644.46 | Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography, 2011, 67, 160-173 |
| 2019359 | CIF | C3 H6 N6 O6 | P b c a | 11.6103; 10.7291; 13.2013 90; 90; 90 | 1644.46 | Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography, 2011, 67, 160-173 |
| 2019360 | CIF | C68 H100 B2 N4 O16 P8 Rh2 | P 1 21/n 1 | 13.9783; 20.2046; 28.1465 90; 90.842; 90 | 7948.4 | Makal, Anna; Trzop, Elzbieta; Sokolow, Jesse; Kalinowski, Jaroslaw; Benedict, Jason; Coppens, Philip The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex Acta Crystallographica Section A Foundations of Crystallography, 2011, 67, 319-326 |
| 2019366 | CIF | C33 H26 | C 1 2/c 1 | 26.232; 10.399; 19.618 90; 119.45; 90 | 4660 | Luger, Peter; Messerschmidt, Marc; Scheins, Stephan; Wagner, Armin High-resolution synchrotron data collection for charge-density work at 100 and 20 K Acta Crystallographica Section A Foundations of Crystallography, 2004, 60, 390-396 |
| 2019367 | CIF | C8 H15 N7 O2 S3 | P 1 21/c 1 | 11.9115; 7.1876; 16.6236 90; 100.045; 90 | 1401.41 | Overgaard, Jacob; Hibbs, David E. The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine Acta Crystallographica Section A Foundations of Crystallography, 2004, 60, 480-487 |
| 2019368 | CIF | C8 H15 N7 O2 S3 | P 1 21/n 1 | 16.98; 5.285; 17.639 90; 116.416; 90 | 1417.6 | Overgaard, Jacob; Hibbs, David E. The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine Acta Crystallographica Section A Foundations of Crystallography, 2004, 60, 480-487 |
| 2019369 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Birkedal, Henrik; Madsen, Dennis; Mathiesen, Ragnvald H.; Knudsen, Kenneth; Weber, Hans-Peter; Pattison, Philip; Schwarzenbach, Dieter The charge density of urea from synchrotron diffraction data Acta Crystallographica Section A Foundations of Crystallography, 2004, 60, 371-381 |
| 2019370 | CIF Paper | C32 H72 B N | I 41/a :2 | 18.9089; 18.9089; 10.5803 90; 90; 90 | 3782.9 | Stilinović, Vladimir; Kaitner, Branko Comparative refinement of correct and incorrect structural models of tetrabutylammonium tetrabutylborate ‒ pitfalls arising from poor-quality data Acta Crystallographica Section A Foundations of Crystallography, 2010, 66, 441-445 |
| 2019371 | CIF Paper | C32 H72 B N | I 41/a :2 | 18.958; 18.958; 10.624 90; 90; 90 | 3818 | Stilinović, Vladimir; Kaitner, Branko Comparative refinement of correct and incorrect structural models of tetrabutylammonium tetrabutylborate ‒ pitfalls arising from poor-quality data Acta Crystallographica Section A Foundations of Crystallography, 2010, 66, 441-445 |
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