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 |
|---|---|---|---|---|---|---|
| 2105652 | CIF Paper | C31 H90 F2 N16 O10 | P 1 21/c 1 | 8.56; 16.301; 37.004 90; 92.31; 90 | 5159.2 | Li, Q.; Mak, T. C. W. Hydrogen-Bonded Urea–Anion Host Lattices. 6. New Inclusion Compounds of Urea with Tetra-<i>n</i>-propylammonium Halides Acta Crystallographica Section B, 1998, 54, 180-192 |
| 2105653 | CIF Paper | C14 H36 Cl N5 O2 | P 1 21/n 1 | 9.839; 15.16; 14.583 90; 108.82; 90 | 2058.9 | Li, Q.; Mak, T. C. W. Hydrogen-Bonded Urea–Anion Host Lattices. 6. New Inclusion Compounds of Urea with Tetra-<i>n</i>-propylammonium Halides Acta Crystallographica Section B, 1998, 54, 180-192 |
| 2105654 | CIF Paper | C15 H40 Cl N7 O3 | P 1 21/c 1 | 9.866; 16.274; 15.277 90; 103.36; 90 | 2386.5 | Li, Q.; Mak, T. C. W. Hydrogen-Bonded Urea–Anion Host Lattices. 6. New Inclusion Compounds of Urea with Tetra-<i>n</i>-propylammonium Halides Acta Crystallographica Section B, 1998, 54, 180-192 |
| 2105655 | CIF Paper | C15 H42 Br N7 O4 | P -1 | 8.857; 10.639; 15.115 88.01; 75.02; 66.72 | 1260.2 | Li, Q.; Mak, T. C. W. Hydrogen-Bonded Urea‒Anion Host Lattices. 6. New Inclusion Compounds of Urea with Tetra-<i>n</i>-propylammonium Halides Acta Crystallographica Section B, 1998, 54, 180-192 |
| 2105656 | CIF Paper | C15 H42 I N7 O4 | P -1 | 9.045; 10.781; 15.169 87.98; 76; 65.73 | 1305 | Li, Q.; Mak, T. C. W. Hydrogen-Bonded Urea–Anion Host Lattices. 6. New Inclusion Compounds of Urea with Tetra-<i>n</i>-propylammonium Halides Acta Crystallographica Section B, 1998, 54, 180-192 |
| 2105657 | CIF Paper | C96.5 H158 N18 O26.5 | P -1 | 11.253; 19.657; 28.546 105.32; 98.03; 100.92 | 5858 | Geßmann, R.; Brückner, H.; Kokkinidis, M. Structure of <i>Z</i>-(Aib)~9~OBu^<i>t^</i> Acta Crystallographica Section B, 1998, 54, 300-307 |
| 2105658 | CIF Paper | Br4 Cs2 Hg | P n 21 a | 10.27; 7.946; 13.935 90; 90; 90 | 1137.2 | Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L. Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases Acta Crystallographica Section B, 1998, 54, 197-203 |
| 2105659 | CIF Paper | Br4 Cs2 Hg | P n m a | 10.27; 7.946; 13.935 90; 90; 90 | 1137.2 | Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L. Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases Acta Crystallographica Section B, 1998, 54, 197-203 |
| 2105660 | CIF Paper | Br4 Cs2 Hg | P n m a | 10.27; 7.946; 13.935 90; 90; 90 | 1137.2 | Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L. Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases Acta Crystallographica Section B, 1998, 54, 197-203 |
| 2105661 | CIF Paper | Br4 Cs2 Hg | P n m a | 10.24; 7.9; 13.888 90; 90; 90 | 1123.5 | Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L. Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases Acta Crystallographica Section B, 1998, 54, 197-203 |
| 2105662 | CIF Paper | Br4 Cs2 Hg | P 21/n 1 1 | 10.231; 7.873; 13.906 90; 90; 90 | 1120.1 | Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L. Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases Acta Crystallographica Section B, 1998, 54, 197-203 |
| 2105663 | CIF Paper | C4 H6 N4 Na2 Ni O3 | P -1 | 7.278; 8.856; 15.131 89.32; 87.39; 83.61 | 968.2 | Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J. Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K Acta Crystallographica Section B, 1998, 54, 600-612 |
| 2105664 | CIF Paper | C73 H8 Br2 | P 1 21/m 1 | 9.863; 17.36; 11.19 90; 102.44; 90 | 1871 | Iversen, B. B.; Darovsky, A.; Bolotovsky, R.; Coppens, P. Low-Temperature Synchrotron Radiation Study of a Twinned Disordered Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~ Acta Crystallographica Section B, 1998, 54, 174-179 |
| 2105665 | CIF Paper | C73 H8 Br2 | P 1 21/m 1 | 9.863; 17.36; 11.19 90; 102.44; 90 | 1871 | Iversen, B. B.; Darovsky, A.; Bolotovsky, R.; Coppens, P. Low-Temperature Synchrotron Radiation Study of a Twinned Disordered Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~ Acta Crystallographica Section B, 1998, 54, 174-179 |
| 2105666 | CIF Paper | C2 H6 O6 | P 1 21/n 1 | 6.1024; 3.4973; 11.9586 90; 105.771; 90 | 245.612 | Martin, A.; Pinkerton, A. A. Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited Acta Crystallographica Section B, 1998, 54, 471-477 |
| 2105667 | CIF Paper | C2 H6 O6 | P 1 21/n 1 | 6.1024; 3.4973; 11.9586 90; 105.771; 90 | 245.612 | Martin, A.; Pinkerton, A. A. Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited Acta Crystallographica Section B, 1998, 54, 471-477 |
| 2105668 | CIF Paper | C2 H6 O6 | P 1 21/n 1 | 6.1024; 3.4973; 11.9586 90; 105.771; 90 | 245.612 | Martin, A.; Pinkerton, A. A. Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited Acta Crystallographica Section B, 1998, 54, 471-477 |
| 2105669 | CIF Paper | Eu0.976 Mo7.1 O14 V1.13 | Cmca(00\g)s00 | 11.306; 10.025; 9.254 90; 90; 90 | 1048.87 | Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P. Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals Acta Crystallographica Section B, 1999, 55, 467-483 |
| 2105670 | CIF Paper | Eu0.986 Mo7.3 O14 V1.1 | Cmca(00\g)s00 | 11.325; 10.024; 9.24 90; 90; 90 | 1048.94 | Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P. Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals Acta Crystallographica Section B, 1999, 55, 467-483 |
| 2105671 | CIF Paper | Eu Mo7.96 O14 | Cmca(00\g)s00 | 11.315; 10.035; 9.265 90; 90; 90 | 1052 | Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P. Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals Acta Crystallographica Section B, 1999, 55, 467-483 |
| 2105672 | CIF Paper | Cu8 Ge S6 | P m n 21 | 9.9073; 9.9073; 9.8703 90; 90; 90.642 | 968.75 | Onoda, Mitsuko; Chen, Xue-An; Kato, Katsuo; Sato, Akira; Wada, Hiroaki Structure refinement of Cu~8~GeS~6~ using X-ray diffraction data from a multiple-twinned crystal Acta Crystallographica Section B, 1999, 55, 721-725 |
| 2105673 | CIF Paper | Cl4 Cs2 Hg | P n m a | 9.789; 7.541; 13.418 90; 90; 90 | 990.5 | Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K Acta Crystallographica Section B, 1999, 55, 886-895 |
| 2105674 | CIF Paper | Cl4 Cs2 Hg | P n m a | 9.7729; 7.5276; 13.3727 90; 90; 90 | 983.78 | Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K Acta Crystallographica Section B, 1999, 55, 886-895 |
| 2105675 | CIF HKL Paper | C10 H10 O2 | P 1 21/c 1 | 8.006; 5.482; 19.444 90; 110.46; 90 | 799.5 | Herbstein, Frank H.; Iversen, Bo Brummerstedt; Kapon, Moshe; Larsen, Finn Krebs; Madsen, Georg Kent Hellerup; Reisner, George M. X-ray and neutron diffraction study of benzoylacetone in the temperature range 8–300 K: comparison with other <i>cis</i>-enol molecules Acta Crystallographica Section B, 1999, 55, 767-787 |
| 2105676 | CIF HKL Paper | C10 H10 O2 | P 1 21/c 1 | 8.027; 5.483; 19.478 90; 110.42; 90 | 803.4 | Herbstein, Frank H.; Iversen, Bo Brummerstedt; Kapon, Moshe; Larsen, Finn Krebs; Madsen, Georg Kent Hellerup; Reisner, George M. X-ray and neutron diffraction study of benzoylacetone in the temperature range 8–300 K: comparison with other <i>cis</i>-enol molecules Acta Crystallographica Section B, 1999, 55, 767-787 |
| 2105677 | CIF Paper | C2 H2 Cl Li O2 | P 1 21/c 1 | 9.3882; 4.8452; 9.0119 90; 94.33; 90 | 408.76 | Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M. Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction Acta Crystallographica Section B, 1999, 55, 517-524 |
| 2105678 | CIF Paper | C2 H2 Br Li O2 | P 1 21/c 1 | 9.7165; 4.861; 9.0228 90; 93.946; 90 | 425.15 | Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M. Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction Acta Crystallographica Section B, 1999, 55, 517-524 |
| 2105679 | CIF Paper | C2 H2 I Li O2 | P 1 21/c 1 | 10.1812; 4.8922; 9.0468 90; 93.251; 90 | 449.88 | Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M. Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction Acta Crystallographica Section B, 1999, 55, 517-524 |
| 2105681 | CIF Paper | O1.879 Y0.242 Zr0.758 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~ Acta Crystallographica Section B, 1999, 55, 726-735 |
| 2105682 | CIF Paper | O1.879 Y0.242 Zr0.758 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~ Acta Crystallographica Section B, 1999, 55, 726-735 |
| 2105683 | CIF Paper | C4 H10 Ag2 N4 O10 | P 1 21 1 | 5.451; 19.493; 5.441 90; 100.12; 90 | 569.1 | Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J. Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study Acta Crystallographica Section B, 2013, 69, 595-602 |
| 2105684 | CIF Paper | C4 H10 Ag2 N4 O10 | P 1 21/a 1 | 5.451; 19.493; 5.541 90; 100.2; 90 | 579.5 | Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J. Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study Acta Crystallographica Section B, 2013, 69, 595-602 |
| 2105685 | CIF Paper | Mg2 O6 Si2 | C 1 2/c 1 | 9.5387; 8.6601; 5.262 90; 108.701; 90 | 411.72 | Yoshiasa, Akira; Nakatsuka, Akihiko; Okube, Maki; Katsura, Tomoo Single-crystal metastable high-temperature <i>C</i>2/<i>c</i> clinoenstatite quenched rapidly from high temperature and high pressure Acta Crystallographica Section B, 2013, 69, 541-546 |
| 2105686 | CIF Paper | C9 H18 N3 S6 Sb | P -1 | 10.8746; 11.2843; 15.0197 99.886; 96.852; 94.714 | 1792.8 | Chauhan, H. P. S.; Carpenter, Jaswant Supramolecular association <i>via</i> Sb···S and C—H···S interactions in dimeric <i>tris</i>(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-<i>S</i>,<i>S</i>')antimony(III): an approach to overcome the concept of steric bulk on such interactions Acta Crystallographica Section B, 2013, 69, 613-620 |
| 2105687 | CIF Paper | Sn6.97 Tb3 | P m m m | 4.3352; 4.4251; 26.7006 90; 90; 90 | 512.22 | Oshchapovsky, Igor; Pavlyuk, Volodymyr; Chumak, Igor Tb~3~Sn~7~: polymorphism and crystal structure of high-temperature modification Acta Crystallographica Section B, 2013, 69, 527-533 |
| 2105688 | CIF Paper | C11 H12 N O4 P | P 21 21 21 | 9.2532; 10.1555; 12.661 90; 90; 90 | 1189.8 | Małecka, Magdalena; Mondal, Swastik; van Smaalen, Sander; Paulmann, Carsten Charge density distribution of 3-(1-aminoethylidene)-2-methoxy-2-oxo-2,3-dihydro-2λ^5^-benzo[<i>e</i>][1,2]oxaphosphinin-4-one Acta Crystallographica Section B, 2013, 69, 621-628 |
| 2105689 | CIF Paper | F Mn Na O4 S | C 1 2/c 1 | 13.77027; 6.63687; 10.35113 90; 121.479; 90 | 806.779 | Barpanda, Prabeer; Ling, Chris D.; Oyama, Gosuke; Yamada, Atsuo Sodium manganese fluorosulfate with a triplite structure Acta Crystallographica Section B, 2013, 69, 584-588 |
| 2105690 | CIF Paper | C6 H10 N Na O3 | P 1 21/c 1 | 13.8784; 8.3444; 6.9228 90; 92.832; 90 | 800.73 | Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B, 2013, 69, 603-612 |
| 2105691 | CIF Paper | C6 H10 K N O3 | P c c n | 8.2804; 28.818; 7.2304 90; 90; 90 | 1725.4 | Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B, 2013, 69, 603-612 |
| 2105692 | CIF Paper | C6 H8 N O2 Rb | P 1 21/c 1 | 13.9109; 7.8661; 7.0235 90; 98.8733; 90 | 759.35 | Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B, 2013, 69, 603-612 |
| 2105693 | CIF Paper | C6 H8 Cs N O2 | P 1 21/c 1 | 14.174; 8.2056; 7.0984 90; 100.605; 90 | 811.5 | Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B, 2013, 69, 603-612 |
| 2105694 | CIF Paper | C7 H10 Cs N O2 | P 1 21/c 1 | 10.764; 12.106; 7.1736 90; 92.363; 90 | 934 | Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B, 2013, 69, 603-612 |
| 2105695 | CIF Paper | C8 H12 Cs N O2 | P 1 21/c 1 | 11.6376; 24.98; 7.2431 90; 100.756; 90 | 2068.6 | Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B, 2013, 69, 603-612 |
| 2105696 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.0993; 11.9416; 5.4608 90; 111.784; 90 | 308.78 | Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P. Structural characterization of crystals of α-glycine during anomalous electrical behaviour Acta Crystallographica Section B Structural Science, 2002, 58, 728 |
| 2105697 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.0999; 11.9516; 5.4594 90; 111.781; 90 | 309 | Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P. Structural characterization of crystals of α-glycine during anomalous electrical behaviour Acta Crystallographica Section B Structural Science, 2002, 58, 728 |
| 2105698 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.1008; 11.9558; 5.4602 90; 111.772; 90 | 309.23 | Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P. Structural characterization of crystals of α-glycine during anomalous electrical behaviour Acta Crystallographica Section B Structural Science, 2002, 58, 728 |
| 2105699 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.1012; 11.9651; 5.4604 90; 111.763; 90 | 309.53 | Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P. Structural characterization of crystals of α-glycine during anomalous electrical behaviour Acta Crystallographica Section B Structural Science, 2002, 58, 728 |
| 2105700 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.1026; 11.9752; 5.4602 90; 111.757; 90 | 309.88 | Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P. Structural characterization of crystals of α-glycine during anomalous electrical behaviour Acta Crystallographica Section B Structural Science, 2002, 58, 728 |
| 2105701 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.1074; 12.0775; 5.4596 90; 111.827; 90 | 312.63 | Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P. Structural characterization of crystals of α-glycine during anomalous electrical behaviour Acta Crystallographica Section B Structural Science, 2002, 58, 728 |
| 2105702 | CIF | C3 H4 O | P b c a | 6.97; 9.514; 9.752 90; 90; 90 | 646.7 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2105703 | CIF | C6 H2 Br2 Cl F | P 1 21/c 1 | 3.8943; 13.5109; 14.4296 90; 93.636; 90 | 757.69 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2105704 | CIF | C10 H10 N2 S3 | P 1 21/c 1 | 13.06; 9.738; 9.335 90; 105.8; 90 | 1142.4 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2105705 | CIF | C13 H15 N3 O2 | P 1 21/n 1 | 7.2795; 13.6699; 12.6695 90; 96.646; 90 | 1252.3 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2105706 | CIF Paper | Br4 Si | P a -3 | 11.17701; 11.17701; 11.17701 90; 90; 90 | 1396.29 | Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen SiBr4– prediction and determination of crystal structures Acta Crystallographica Section B Structural Science, 2009, 65, 342-349 |
| 2105707 | CIF Paper | Br4 Si | P 1 21/c 1 | 10.1319; 6.7002; 10.2389 90; 102.665; 90 | 678.16 | Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen SiBr4– prediction and determination of crystal structures Acta Crystallographica Section B Structural Science, 2009, 65, 342-349 |
| 2105715 | CIF | Ta | P -4 21 m | 10.201; 10.201; 5.3075 90; 90; 90 | 552.3 | Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir The commensurate composite σ-structure of β-tantalum Acta Crystallographica Section B Structural Science, 2003, 59, 324 |
| 2105716 | CIF | Ta | P -4 | 10.1815; 10.1815; 5.295 90; 90; 90 | 548.9 | Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir The commensurate composite σ-structure of β-tantalum Acta Crystallographica Section B Structural Science, 2003, 59, 324 |
| 2105722 | CIF HKL Paper | C13 H12 N2 O7 | P 1 21/c 1 | 7.2032; 6.9183; 27.515 90; 92.134; 90 | 1370.23 | Lombardo, Giuseppe M.; Rescifina, Antonio; Chiacchio, Ugo; Bacchi, Alessia; Punzo, Francesco A top–down approach to crystal engineering of a racemic Δ^2^-isoxazoline Acta Crystallographica Section B, 2014, 70, 172-180 |
| 2105723 | CIF HKL Paper | C13 H8 Br Co N O5 | P 1 21/c 1 | 7.1962; 10.0563; 18.748 90; 91.548; 90 | 1356.2 | Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I. Distortions of a flexible metal-organic framework from substituted pendant ligands Acta Crystallographica Section B, 2014, 70, 11-18 |
| 2105724 | CIF Paper | C14 H11 Co N O6 | P n m a | 7.1507; 18.1353; 11.6447 90; 90; 90 | 1510.09 | Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I. Distortions of a flexible metal-organic framework from substituted pendant ligands Acta Crystallographica Section B, 2014, 70, 11-18 |
| 2105725 | CIF Paper | C17 H11.5 Co N O5.25 | P n m a | 18.025; 7.184; 11.906 90; 90; 90 | 1542 | Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I. Distortions of a flexible metal-organic framework from substituted pendant ligands Acta Crystallographica Section B, 2014, 70, 11-18 |
| 2105726 | CIF Paper | C19 H13 Co N O5 | C 1 2/c 1 | 12.9936; 17.9026; 7.1797 90; 116.294; 90 | 1497.33 | Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I. Distortions of a flexible metal-organic framework from substituted pendant ligands Acta Crystallographica Section B, 2014, 70, 11-18 |
| 2105727 | CIF HKL Paper | C12 H2 F8 N2 | P 1 21/n 1 | 6.21; 9.7294; 9.2163 90; 98.019; 90 | 551.4 | Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals Acta Crystallographica Section B, 2014, 70, 149-156 |
| 2105728 | CIF Paper | C14 H6 F8 I2 N2 O S | C 1 2/c 1 | 21.14; 10.0766; 9.5589 90; 111.347; 90 | 1896.5 | Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals Acta Crystallographica Section B, 2014, 70, 149-156 |
| 2105729 | CIF Paper | C22 H8 F8 I2 N4 | P 1 21/c 1 | 5.9388; 8.293; 22.16 90; 95.371; 90 | 1086.6 | Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals Acta Crystallographica Section B, 2014, 70, 149-156 |
| 2105730 | CIF Paper | C40 H26 F8 I2 N4 O2 | P -1 | 5.9758; 13.998; 21.989 80.264; 88.694; 81.381 | 1792.4 | Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals Acta Crystallographica Section B, 2014, 70, 149-156 |
| 2105731 | CIF HKL Paper | C14 H15 F3 N2 S | P 1 21/c 1 | 13.074; 9.185; 12.652 90; 109.33; 90 | 1433.7 | Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L. Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family Acta Crystallographica Section B, 2014, 70, 47-53 |
| 2105732 | CIF Paper | C13 H15 F N2 S | P 1 21/c 1 | 7.586; 10.088; 16.566 90; 91.41; 90 | 1267.4 | Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L. Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family Acta Crystallographica Section B, 2014, 70, 47-53 |
| 2105733 | CIF Paper | C14 H18 N2 S | P b c a | 8.7377; 14.1088; 20.83 90; 90; 90 | 2567.89 | Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L. Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family Acta Crystallographica Section B, 2014, 70, 47-53 |
| 2105734 | CIF HKL Paper | C17 H20 O10.25 | P 1 21/c 1 | 11.2247; 8.366; 21.5073 90; 97.265; 90 | 2003.45 | Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger Solvent–guest control of two extremely similar tetrahydrofuran inclusion structures Acta Crystallographica Section B, 2014, 70, 126-131 |
| 2105735 | CIF Paper | C18 H22 O10.5 | P 1 21/c 1 | 11.4634; 8.5336; 21.6678 90; 99.58; 90 | 2090.1 | Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger Solvent–guest control of two extremely similar tetrahydrofuran inclusion structures Acta Crystallographica Section B, 2014, 70, 126-131 |
| 2105736 | CIF Paper | C12 H10 B2 O2 | P 21 21 21 | 4.8645; 13.054; 15.508 90; 90; 90 | 984.78 | Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes Acta Crystallographica Section B, 2014, 70, 157-171 |
| 2105737 | CIF Paper | C12 H8 B2 F2 O2 | P 1 21/c 1 | 17.909; 3.779; 17.355 90; 117.51; 90 | 1041.7 | Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes Acta Crystallographica Section B, 2014, 70, 157-171 |
| 2105738 | CIF HKL Paper | C12 H8 B2 Cl2 O2 | P 1 21/n 1 | 7.3645; 3.8696; 20.125 90; 97.543; 90 | 568.55 | Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes Acta Crystallographica Section B, 2014, 70, 157-171 |
| 2105739 | CIF Paper | C12 H8 B2 Br2 O2 | P 1 21/n 1 | 8.988; 3.905; 16.841 90; 96.11; 90 | 587.7 | Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes Acta Crystallographica Section B, 2014, 70, 157-171 |
| 2105740 | CIF Paper | C8 H6 B2 O2 S2 | R -3 :H | 24.719; 24.719; 4.6681 90; 90; 120 | 2470.2 | Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes Acta Crystallographica Section B, 2014, 70, 157-171 |
| 2105741 | CIF Paper | C11 H10 Cl2 Li N2 O5 | P -1 | 6.667; 10.495; 11.977 110.773; 99.693; 100.335 | 745.9 | Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state Acta Crystallographica Section B, 2014, 70, 181-190 |
| 2105742 | CIF | C8 H4 Cl2 N2 O4 Rb | P 21 21 2 | 6.5088; 18.1788; 9.6194 90; 90; 90 | 1138.19 | Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state Acta Crystallographica Section B, 2014, 70, 181-190 |
| 2105743 | CIF | C8 H4 Cl2 N2 O4 Rb | P 21 21 2 | 6.4217; 18.0295; 9.574 90; 90; 90 | 1108.48 | Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state Acta Crystallographica Section B, 2014, 70, 181-190 |
| 2105744 | CIF | C8 H4 Cl2 Cs N2 O4 | P 21 21 2 | 6.6462; 18.2212; 9.7758 90; 90; 90 | 1183.87 | Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state Acta Crystallographica Section B, 2014, 70, 181-190 |
| 2105745 | CIF HKL | C8 H4 Cl2 Cs N2 O4 | P 21 21 2 | 6.5601; 18.152; 9.7345 90; 90; 90 | 1159.17 | Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state Acta Crystallographica Section B, 2014, 70, 181-190 |
| 2105746 | CIF HKL Paper | C22 H26 N4 O4 | P 21 21 21 | 7.2598; 10.2744; 27.997 90; 90; 90 | 2088.3 | Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid Acta Crystallographica Section B, 2014, 70, 63-71 |
| 2105747 | CIF Paper | C56 H62 N12 O8 | P 1 21 1 | 9.9568; 12.914; 20.203 90; 95.734; 90 | 2584.7 | Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid Acta Crystallographica Section B, 2014, 70, 63-71 |
| 2105748 | CIF Paper | C56 H62 N12 O8 | P 1 21/n 1 | 9.9407; 12.9624; 20.247 90; 95.928; 90 | 2595 | Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid Acta Crystallographica Section B, 2014, 70, 63-71 |
| 2105749 | CIF HKL Paper | C7 H5 Cl1.46 F0.54 N O | P b c a | 8.522; 12.291; 14.309 90; 90; 90 | 1498.78 | Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides Acta Crystallographica Section B, 2014, 70, 106-114 |
| 2105750 | CIF | C8.03 H8.1 Cl0.97 N O | P b c a | 8.5073; 13.093; 14.448 90; 90; 90 | 1609.3 | Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides Acta Crystallographica Section B, 2014, 70, 106-114 |
| 2105751 | CIF | C8.78 H10.35 Cl0.22 N S | P b c a | 9.208; 13.142; 14.617 90; 90; 90 | 1768.83 | Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides Acta Crystallographica Section B, 2014, 70, 106-114 |
| 2105752 | CIF | C13 H19 N O0.5 S0.5 | P 1 21/c 1 | 9.022; 9.003; 16.005 90; 103.17; 90 | 1265.8 | Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides Acta Crystallographica Section B, 2014, 70, 106-114 |
| 2105753 | CIF Paper | C13 H13 Cl N4 O6 S2 | P 21 21 21 | 7.368; 13.121; 16.247 90; 90; 90 | 1570.7 | Sanphui, Palash; Rajput, Lalit Tuning solubility and stability of hydrochlorothiazide co-crystals Acta Crystallographica Section B, 2014, 70, 81-90 |
| 2105754 | CIF HKL Paper | C13 H14 Cl N5 O5 S2 | P 21 21 21 | 7.6531; 13.2192; 16.148 90; 90; 90 | 1633.7 | Sanphui, Palash; Rajput, Lalit Tuning solubility and stability of hydrochlorothiazide co-crystals Acta Crystallographica Section B, 2014, 70, 81-90 |
| 2105755 | CIF Paper | C18 H24 Cl2 N8 O10 S4 | C 1 2/c 1 | 17.857; 10.363; 14.548 90; 96.459; 90 | 2675 | Sanphui, Palash; Rajput, Lalit Tuning solubility and stability of hydrochlorothiazide co-crystals Acta Crystallographica Section B, 2014, 70, 81-90 |
| 2105756 | CIF Paper | C21 H22 Cl N5 O8 S2 | P 1 21/c 1 | 12.7042; 10.8626; 18.5745 90; 110.905; 90 | 2394.6 | Sanphui, Palash; Rajput, Lalit Tuning solubility and stability of hydrochlorothiazide co-crystals Acta Crystallographica Section B, 2014, 70, 81-90 |
| 2105757 | CIF Paper | C3 H19 F N O18 P3 U2 | C 1 2/c 1 | 25.8297; 8.756; 17.7432 90; 99.951; 90 | 3952.5 | Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A. Metal-organic frameworks based on uranyl and phosphonate ligands Acta Crystallographica Section B, 2014, 70, 28-36 |
| 2105758 | CIF Paper | C8 H10 O8 P2 U | P 1 21/c 1 | 10.9522; 6.4691; 9.2802 90; 96.333; 90 | 653.5 | Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A. Metal-organic frameworks based on uranyl and phosphonate ligands Acta Crystallographica Section B, 2014, 70, 28-36 |
| 2105759 | CIF HKL Paper | C9 H28 O20 P3 U1.5 | P -1 | 8.7982; 11.8876; 12.6446 95.219; 106.752; 96.98 | 1245.89 | Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A. Metal-organic frameworks based on uranyl and phosphonate ligands Acta Crystallographica Section B, 2014, 70, 28-36 |
| 2105760 | CIF HKL Paper | C26 H38 N2 O10 | P 1 21/n 1 | 10.3947; 17.5546; 47.27 90; 91.321; 90 | 8623.3 | Boardman, Nicole D.; Munshi, Tasnim; Scowen, Ian J.; Seaton, Colin C. Creation of a ternary complex between a crown ether, 4-aminobenzoic acid and 3,5-dinitrobenzoic acid Acta Crystallographica Section B, 2014, 70, 132-140 |
| 2105761 | CIF | C33 H39 N5 O20 | P -1 | 7.6055; 16.0157; 16.4476 73.156; 85.54; 89.562 | 1911.45 | Boardman, Nicole D.; Munshi, Tasnim; Scowen, Ian J.; Seaton, Colin C. Creation of a ternary complex between a crown ether, 4-aminobenzoic acid and 3,5-dinitrobenzoic acid Acta Crystallographica Section B, 2014, 70, 132-140 |
| 2105762 | CIF Paper | C34 H36 N6 Ni O8 S2 | P 1 21 1 | 11.8719; 14.1629; 21.9663 90; 95.342; 90 | 3677.4 | Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A. Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes Acta Crystallographica Section B, 2014, 70, 115-125 |
| 2105763 | CIF Paper | C30 H28 N6 Ni O8 S2 | P 1 21/n 1 | 11.8991; 51.4066; 14.1366 90; 99.498; 90 | 8528.7 | Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A. Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes Acta Crystallographica Section B, 2014, 70, 115-125 |
| 2105764 | CIF HKL Paper | C50 H36 N6 Ni O4 S2 | P 1 21/c 1 | 8.9345; 20.8306; 11.1406 90; 90.66; 90 | 2073.25 | Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A. Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes Acta Crystallographica Section B, 2014, 70, 115-125 |
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