Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1552017 | CIF | O2 Xe | P n m a | 3.5614; 5.7987; 4.4054 90; 90; 90 | 90.978 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
1552018 | CIF | O3 Xe | P 21 21 21 | 7.6536; 3.2888; 4.5277 90; 90; 90 | 113.967 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
1552016 | CIF | O2 Xe3 | I m m m | 8.5363; 3.2173; 4.9636 90; 90; 90 | 136.32 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
1552014 | CIF | O5 Xe2 | P 4/n c c :2 | 4.9826; 4.9826; 9.9548 90; 90; 90 | 247.141 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
1551317 | CIF | C7 H14 N O4 Re | R 3 m :R | 6.36; 6.36; 6.36 89.912; 89.912; 89.912 | 257.26 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
1551318 | CIF | C7 H14 N O4 Re | P m -3 m | 6.3881; 6.3881; 6.3881 90; 90; 90 | 260.68 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
1551314 | CIF | Fe4 O5 | P 1 21/m 1 (c,2*a+c,b) | 2.861; 9.8123; 12.5425 90; 90; 90 | 352.11 | Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation Nature Chemistry, 2016, 8, 501-508 |
1552015 | CIF | O Xe2 | C 1 2/m 1 | 10.0009; 3.206; 11.0813 90; 93.325; 90 | 354.7 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
1551316 | CIF | C7 H14 N O4 Re | P m n 21 | 8.9571; 5.9973; 9.1546 90; 90; 90 | 491.77 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
1551397 | CIF | C14 H10 Fe N6 Pt | C m m m | 7.5075; 15.2605; 7.4436 90; 90; 90 | 852.8 | Shun Sakaida; Kazuya Otsubo; Osami Sakata; Chulho Song; Akihiko Fujiwara; Masaki Takata; Hiroshi Kitagawa Crystalline coordination framework endowed with dynamic gate-opening behaviour by being downsized to a thin film Nature Chemistry, 2016, 8, 377-383 |
1548529 | CIF | C22 H31 Cl2 N | P 1 21 1 | 6.7424; 17.1958; 9.2973 90; 102.425; 90 | 1052.69 | Shaolin Zhu; Nootaree Niljianskul; Stephen L. Buchwald A direct approach to amines with remote stereocenters by enantioselective CuH-catalysed reductive relay hydroamination Nature Chemistry, 2016, 8, 144-150 |
1551921 | CIF | C52 H74 Be N2 | P -1 | 10.009; 10.854; 11.522 73.426; 71.114; 78.842 | 1128 | Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster Neutral zero-valent s-block complexes with strong multiple bonding Nature Chemistry, 2016, 8, 890-894 |
1551831 | CIF | C74 H64 Fe6 | P -1 | 7.4131; 13.207; 14.5753 94.319; 99.791; 98.987 | 1381.32 | Michael S. Inkpen; Stefan Scheerer; Michael Linseis; Andrew J. P. White; Rainer F. Winter; Tim Albrecht; Nicholas J. Long Oligomeric ferrocene rings Nature Chemistry, 2016, 8, 825-830 |
1552022 | CIF | C19 H14 Br F O S | P 21 21 21 | 11.0067; 11.0733; 13.4281 90; 90; 90 | 1636.62 | Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle Nature Chemistry, 2016, 8, 860-866 |
1552023 | CIF | C19 H14 Br F O S | P 21 21 21 | 7.3598; 14.3822; 15.5984 90; 90; 90 | 1651.09 | Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle Nature Chemistry, 2016, 8, 860-866 |
1551922 | CIF | C43 H66 Be N2 | P -1 | 10.205; 11.905; 16.885 95.186; 92.747; 112.17 | 1884.4 | Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster Neutral zero-valent s-block complexes with strong multiple bonding Nature Chemistry, 2016, 8, 890-894 |
1552019 | CIF | C56 H44 Cl2 N4 | P -1 | 9.321; 15.264; 16.653 74.721; 84.365; 78.162 | 2234.5 | Laura Ascherl; Torben Sick; Johannes T. Margraf; Saul H. Lapidus; Mona Calik; Christina Hettstedt; Konstantin Karaghiosoff; Markus Doblinger; Timothy Clark; Karena W. Chapman; Florian Auras; Thomas Bein Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks Nature Chemistry, 2016, 8, 310-316 |
1552024 | CIF | C24 H20 F3 N5 O4 S | P 1 21/n 1 | 11.8433; 16.994; 12.4738 90; 102.967; 90 | 2446.5 | Qi-Qiang Wang; Sergio Gonell; Stefan H. A. M. Leenders; Maximilian Durr; Ivana Ivanovic-Burmazovic; Joost N. H. Reek Self-assembled nanospheres with multiple endohedral binding sites pre-organize catalysts and substrates for highly efficient reactions Nature Chemistry, 2016, 8, 225-230 |
1552012 | CIF | C46 H64 Cl4 N2 Np2 O3.5 | P -1 | 10.5639; 13.6771; 18.1083 75.147; 75.732; 84.334 | 2449.2 | Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold Organometallic neptunium(III) complexes Nature Chemistry, 2016, 8, 797-802 |
1551912 | CIF | C60 H67 B Cu N6 S | P -1 | 12.1386; 12.3014; 19.1744 76.241; 77.026; 69.951 | 2580.2 | Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren A motif for reversible nitric oxide interactions in metalloenzymes Nature Chemistry, 2016, 8, 663-669 |
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