Crystallography Open Database
Search results
Result: there are 530 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'P 31 2 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000295 | CIF | Cr F7 Mn Na2 | P 31 2 1 | 7.421; 7.421; 18.166 90; 90; 120 | 866.4 | Courbion, G; Ferey, G; Holler, H; Babel, D On trigonal weberites: structure refinement of Na~2~MnCrF~7~ and Na~2~MnGaF~7~ European Journal of Solid State Inorganic Chemistry, 1988, 25, 435-447 |
| 1000296 | CIF | F7 Ga Mn Na2 | P 31 2 1 | 7.401; 7.401; 18.091 90; 90; 120 | 858.2 | Courbion, G; Ferey, G; Holler, H; Babel, D On trigonal weberites: Structure refinement of Na~2~MnCrF~7~ and Na~2~MnGaF~7~ European Journal of Solid State Inorganic Chemistry, 1988, 25, 435-447 |
| 1009000 | CIF | As Ga O4 | P 31 2 1 | 4.994; 4.994; 11.3871 90; 90; 120 | 245.9 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009001 | CIF | As Ga O4 | P 31 2 1 | 4.9942; 4.9942; 11.3816 90; 90; 120 | 245.8 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009002 | CIF | As Ga O4 | P 31 2 1 | 4.997; 4.997; 11.379 90; 90; 120 | 246.1 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009003 | CIF | As Ga O4 | P 31 2 1 | 5.007; 5.007; 11.391 90; 90; 120 | 247.3 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009004 | CIF | As Ga O4 | P 31 2 1 | 5.011; 5.011; 11.388 90; 90; 120 | 247.6 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009005 | CIF | As Ga O4 | P 31 2 1 | 5.017; 5.017; 11.401 90; 90; 120 | 248.5 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009006 | CIF | As Ga O4 | P 31 2 1 | 5.025; 5.025; 11.408 90; 90; 120 | 249.5 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009007 | CIF | As Ga O4 | P 31 2 1 | 5.033; 5.033; 11.411 90; 90; 120 | 250.3 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009008 | CIF | As Ga O4 | P 31 2 1 | 5.04; 5.04; 11.408 90; 90; 120 | 251 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009009 | CIF | As Ga O4 | P 31 2 1 | 5.051; 5.051; 11.421 90; 90; 120 | 252.3 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1009010 | CIF | As Ga O4 | P 31 2 1 | 5.059; 5.059; 11.424 90; 90; 120 | 253.2 | Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry, 1999, 146, 114-123 |
| 1011097 | CIF | O2 Si | P 31 2 1 | 4.913; 4.913; 5.404 90; 90; 120 | 113 | Wei, P. H. Die Bindung im Quarz Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 92, 355-362 |
| 1011098 | CIF | Te | P 31 2 1 | 4.454; 4.454; 5.924 90; 90; 120 | 101.8 | Bradley, A J The crystal structure of tellurium Philosophical Magazine, Serie 6 (1901-1925), 1924, 48, 477-496 |
| 1011172 | CIF | O2 Si | P 31 2 1 | 4.913; 4.913; 5.405 90; 90; 120 | 113 | Brill, R; Hermann, C; Peters, C Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung im Quarz Naturwissenschaften, 1939, 27, 676-677 |
| 1011369 | CIF | Hg S | P 31 2 1 | 4.16; 4.16; 9.54 90; 90; 120 | 143 | Buckley, H E; Vernon, W S The cyrstal-structures of the sulphides of mercury. Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968), 1925, 20, 382-392 |
| 1100429 | CIF | C28 H28 N2 O4 S2 | P 31 2 1 | 9.951; 9.951; 23.091 90; 90; 120 | 1980.19 | Bolm, Carsten; Bienewald, Frank; Harms, Klaus Syntheses and Vanadium Complex of Salen-like Bissulfoximines Synlett, 1996, 1996, 775-776 |
| 1502854 | CIF | C25 H34 N2 O5 S | P 31 2 1 | 11.8548; 11.8548; 31.3077 90; 90; 120 | 3810.4 | Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam. Organic letters, 2010, 12, 1668-1671 |
| 1502978 | CIF | C18 H6 | P 31 2 1 | 10.4772; 10.4772; 19.925 90; 90; 120 | 1894.2 | Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves Nanochannel array within a multilayered network of a planarized dehydro[24]annulene. Organic letters, 2010, 12, 2346-2349 |
| 1503030 | CIF | C41 H55 N4 O11.5 | P 31 2 1 | 13.4028; 13.4028; 41.9587 90; 90; 120 | 6527.5 | Fairweather, Kelly A.; Sayyadi, Nima; Luck, Ian J.; Clegg, Jack K.; Jolliffe, Katrina A. Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable turn inducers. Organic letters, 2010, 12, 3136-3139 |
| 1503278 | CIF | C9.5 H14 N3 | P 31 2 1 | 10.477; 10.477; 15.328 90; 90; 120 | 1457.1 | Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties. Organic letters, 2010, 12, 5036-5039 |
| 1505643 | CIF | C11 H12 F2 N2 O3 | P 31 2 1 | 7.7456; 7.7456; 34.484 90; 90; 120 | 1791.7 | Yang, Yan-Yan; Xu, Jun; You, Zheng-Wei; Xu, Xiu-Hua; Qiu, Xiao-Long; Qing, Feng-Ling Synthesis of 3',3'-difluoro-2'- hydroxymethyl-4',5'-unsaturated carbocyclic nucleosides. Organic letters, 2007, 9, 5437-5440 |
| 1505727 | CIF | B F4 Li | P 31 2 1 | 4.892; 4.892; 11.002 90; 90; 120 | 228 | Matsumoto, Kazuhiko; Hagiwara, Rika; Mazej, Zoran; Goreshnik, Evgeny; Zemva, Boris Anomalously large formula unit volume and its effect on the thermal behavior of LiBF4. The journal of physical chemistry. B, 2006, 110, 2138-2141 |
| 1509885 | CIF | Ag4 Mn3 O8 | P 31 2 1 | 12.5919; 12.5919; 15.4978 90; 90; 120 | 2128.06 | Friese, K.; Jansen, M.; Ahlert, S. The structure of twinned Ag4 Mn3 O8, a novel octahedral framework with a topology related to the archetype cubic (10,3) net Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1525-1531 |
| 1510796 | CIF | B2 O3 | P 31 2 1 | 4.3358; 4.3358; 8.3397 90; 90; 120 | 135.775 | Lengauer, C.L.; Parthe, E.; Effenberger, H. Trigonal B2 O3 with higher space-group symmetry: results of a reevaluation Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 2001, 132, 1515-1517 |
| 1511259 | CIF | B Nd O5 Si | P 31 2 1 | 6.8035; 6.8035; 6.6487 90; 90; 120 | 266.521 | Shi, Y.; Liang, J.-K.; Yang, J.-L.; Zhuang, W.D.; Rao, G.-H.; Zhang, H. Crystal structure and vibrational spectra studies of stillwellite compounds Nd B Si O5 Journal of Alloys Compd., 1997, 259, 163-169 |
| 1511289 | CIF | B O5 P Pb | P 31 2 1 | 6.851; 6.851; 6.821 90; 90; 120 | 277.26 | Taibi, M.; Aschehoug, P.; Ben Ali, A.; Boukhari, A.; Aride, J.; Antic-Fidancev, E.; Viana, B. Crystal structure of A B P O5 and optical study of Pr(3+) embedded in these compounds Journal of Physics: Condensed Matter, 2001, 13, 9663-9671 |
| 1511291 | CIF | B O5 P Sr | P 31 2 1 | 6.8488; 6.8488; 6.8159 90; 90; 120 | 276.874 | Kniep, R.; Asbrand, M.; Kizilyalli, M.; Roehr, C.; Goezel, G.; Eisenmann, B. Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12) Angewandte Chemie (German Edition), 1994, 106, 791-793 |
| 1511396 | CIF | B0.95 La O4.93 Si | P 31 2 1 | 6.839; 6.839; 6.782 90; 90; 120 | 274.709 | Kajitani, T.; Takayama, K.; Ono, Y. X-ray diffraction study of La B Si O5 Journal of the Physical Society of Japan, 1996, 65, 3224-3228 |
| 1511442 | CIF | B Ba O5 P | P 31 2 1 | 7.1094; 7.1094; 6.9895 90; 90; 120 | 305.944 | Rao, G.; Chen, X.; Yang, J.; Zhuang, W.; Zhang, H.; Liu, Q.; Liang, J.; Shi, Y. Crystal structure and thermal decomposition studies of barium borophosphate, Ba B P O5 Journal of Solid State Chemistry, 1998, 135, 43-51 |
| 1511466 | CIF | B Ca O5 P | P 31 2 1 | 6.6799; 6.6799; 6.6121 90; 90; 120 | 255.511 | Goezel, G.; Kniep, R.; Asbrand, M.; Eisenmann, B.; Roehr, C.; Kizilyalli, M. Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12) Angewandte Chemie (German Edition), 1994, 106, 791-793 |
| 1514626 | CIF | C83 H116 Mg2 N6 O | P 31 2 1 | 12.0374; 12.0374; 44.799 90; 90; 120 | 5621.7 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514845 | CIF | C76 H162 Cu6 N12 O88.66 V30 | P 31 2 1 | 20.411; 20.411; 40.34 90; 90; 120 | 14554 | Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters Chemical Science, 2013, 4, 418 |
| 1516128 | CIF | C92 H126 Cl3 Cr2 Li N2 O5 | P 31 2 1 | 18.945; 18.945; 25.39 90; 90; 120 | 7892 | Chen, Hua; Dawe, Louise N.; Kozak, Christopher M. Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2 Catalysis Science & Technology, 2014, 4, 1547 |
| 1518030 | CIF | Al As O4 | P 31 2 1 | 5.022; 5.022; 11.215 90; 90; 120 | 244.95 | Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale, 1983, 20, 338-350 |
| 1518031 | CIF | Al As O4 | P 31 2 1 | 5.027; 5.027; 11.213 90; 90; 120 | 245.4 | Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale, 1983, 20, 338-350 |
| 1518032 | CIF | As Ga O4 | P 31 2 1 | 4.986; 4.986; 11.375 90; 90; 120 | 244.9 | Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale, 1983, 20, 338-350 |
| 1518033 | CIF | As Ga O4 | P 31 2 1 | 4.993; 4.993; 11.366 90; 90; 120 | 245.39 | Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale, 1983, 20, 338-350 |
| 1518034 | CIF | Ga O4 P | P 31 2 1 | 4.874; 4.872; 11.032 90; 90; 120 | 226.87 | Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale, 1983, 20, 338-350 |
| 1518035 | CIF | Ga O4 P | P 31 2 1 | 4.899; 4.899; 11.034 90; 90; 120 | 229.34 | Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale, 1983, 20, 338-350 |
| 1518114 | CIF | Fe O4 P | P 31 2 1 | 5.021; 5.021; 11.229 90; 90; 120 | 245.16 | Goiffon, Aline; Jumas, Jean-Claude; Philippot, Etienne Phases de type quartz alpha ; structure de FePO4 et spectrometrie Mossbauer du fer-57 Revue de Chimie Minerale, 1986, 23, 99-110 |
| 1518115 | CIF | Fe O4 P | P 31 2 1 | 5.027; 5.027; 11.234 90; 90; 120 | 245.86 | Goiffon, Aline; Jumas, Jean-Claude; Philippot, Etienne Phases de type quartz alpha ; structure de FePO4 et spectrometrie Mossbauer du fer-57 Revue de Chimie Minerale, 1986, 23, 99-110 |
| 1519406 | CIF | C35 H38 B F4 N3 O Si | P 31 2 1 | 11.541; 11.541; 52.812 90; 90; 120 | 6091.9 | Li, Guo-Tai; Gu, Qing; You, Shu-Li Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine Chem. Sci., 2015, 6, 4273 |
| 1522908 | CIF | La0.8 Th0.2 | P 31 2 1 | 3.71; 3.71; 18.03 90; 90; 120 | 214.919 | Sikka, S.K.; Godwal, B.K.; Vijayakumar, V. Distorted fcc high-pressure phase of rare earths in La.8 Th.2 alloy at ambient conditions - thcp versus modulated hexagonal structure Physics Letters A, 1985, 108, 83-84 |
| 1526860 | CIF | O2 Si | P 31 2 1 | 4.9019; 4.9019; 5.3988 90; 90; 120 | 112.346 | Tucker, M.G.; Dove, M.T.; Keen, D.A. A detailed structural characterization of quartz on heating through the alpha - beta transition Mineralogical Magazine (1969-), 2001, 65, 489-507 |
| 1527732 | CIF | Ce H2 Na O9 S2 | P 31 2 1 | 7.0134; 7.0134; 12.92 90; 90; 120 | 550.364 | Lindgren, O. The crystal structure of sodium cerium(III) sulfate hydrate, Na Ce (S O4)2 (H2 O) Acta Chemica Scandinavica, Series A: (28,1974-), 1977, 31, 591-594 |
| 1528952 | CIF | F7 Fe Mn Na2 | P 31 2 1 | 7.488; 7.488; 18.257 90; 90; 120 | 886.526 | Verscharen, W.; Babel, D. Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine trigonale Weberit-Variante Journal of Solid State Chemistry, 1978, 24, 405-421 |
| 1528953 | CIF | F7 Mn Na2 V | P 31 2 1 | 7.492; 7.492; 18.261 90; 90; 120 | 887.668 | Verscharen, W.; Babel, D. Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine trigonale Weberit-Variante Journal of Solid State Chemistry, 1978, 24, 405-421 |
| 1530002 | CIF | Al O4 P | P 31 2 1 | 4.927; 4.927; 10.918 90; 90; 120 | 229.53 | Goiffon, A.; Maurin, M.; Jumas, J.C.; Philippot, E. Etude comparee a diverses temperatures (173, 293 et 373 K) des structures de type quartz alpha des phases M(III) X(V) O4 (M(III) = Al, Ga et X(V) = P, As) Journal of Solid State Chemistry, 1986, 61, 384-396 |
| 1530731 | CIF | Mn2 O7 Sb2 | P 31 2 1 | 7.191; 7.191; 17.398 90; 90; 120 | 779.128 | Scott, H.G. Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6 Journal of Solid State Chemistry, 1987, 66, 171-180 |
| 1531230 | CIF | Te | P 31 2 1 | 4.458; 4.458; 5.925 90; 90; 120 | 101.976 | Bouad, N.; Chapon, L.; Marin-Ayral, R.M.; Bouree-Vigneron, F.; Tedenac, J.C. Neutron powder diffraction study of strain and crystallite size in mechanically alloyed Pb Te Journal of Solid State Chemistry, 2003, 173, 189-195 |
| 1531574 | CIF | Cl8 K3 Tc2 | P 31 2 1 | 12.8; 12.8; 8.3 90; 90; 120 | 1177.68 | Koz'min, P.A.; Novitskaya, G.N. X-ray diffraction study of K3 (Tc2 Cl8) (H2 O)2 and Cs3 (Tc2 Cl8) (H2 O)2 Zhurnal Neorganicheskoi Khimii, 1972, 17, 3138-3139 |
| 1531951 | CIF | Al O4 P | P 31 2 1 | 4.94291; 4.94291; 10.94761 90; 90; 120 | 231.641 | Ng, H.N.; Calvo, C. X-ray study of the alpha-beta transformation of Berlinite Al P O4 Canadian Journal of Physics, 1976, 54, 638-647 |
| 1532070 | CIF | Al0.9 Ni12.54 Si8.1 | P 31 2 1 | 7.653; 7.653; 14.665 90; 90; 120 | 743.834 | Richter, K.W. Crystal structure and phase relations of Ni13+x Aly Si9-y Journal of Alloys Compd., 2002, 338, 43-50 |
| 1532673 | CIF | As3 La1.5 O12 Sr1.5 Tl1.5 | P 31 2 1 | 7.3895; 7.3895; 6.8121 90; 90; 120 | 322.138 | Lafjij, M.; El Jouhari, N.; Wallez, G.; Benabad, A.; le Flem, G.; Gravereau, P.; Garcia, A. Structural study and luminescence of Tl Sr La (As O4)2 Materials Research Bulletin, 2003, 38, 1755-1765 |
| 1532906 | CIF | Fe O4 P | P 31 2 1 | 5.039; 5.039; 11.412 90; 90; 120 | 250.946 | Mittal, R.; Loong, C.-K.; Kolesnikov, A.I.; Chaplot, S.L.; Kulshreshtha, S.K.; Jayakumar, O.D. Inelastic neutron scattering, lattice dynamics and synchrotron X-ray diffraction study of Fe P O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 174304-1-174304-7 |
| 1533353 | CIF | Dy1.78 Mn0.89 O6.82 Ta1.11 | P 31 2 1 | 7.3872; 7.3872; 17.1351 90; 90; 120 | 809.799 | Chen, G.; Takenoshita, H.; Satoh, H.; Kamegashira, N.; Miyamoto, M. Structural analysis of complex oxides Ln2 Mn Ta1+x O7+d (Ln = rare earth and yttrium) with pyrochlore-related structures Journal of Alloys Compd., 2004, 374, 177-180 |
| 1534002 | CIF | Hg S0.3 Se0.7 | P 31 2 1 | 4.128; 4.128; 9.526 90; 90; 120 | 140.579 | Kozlenko, D.P.; Glazkov, V.P.; Hull, S.; Savenko, B.N.; Shchennikov, V.V.; Voronin, V.I. Structural study of ternary mercury chalcogenides at high pressures Appl. Phys. A, 2002, 74, S983-S985 |
| 1534008 | CIF | Hg S0.15 Te0.85 | P 31 2 1 | 4.415; 4.415; 9.927 90; 90; 120 | 167.575 | Kozlenko, D.P.; Glazkov, V.P.; Hull, S.; Savenko, B.N.; Shchennikov, V.V.; Voronin, V.I. Structural study of ternary mercury chalcogenides at high pressures Appl. Phys. A, 2002, 74, S983-S985 |
| 1534711 | CIF | Se | P 31 2 1 | 4.3; 4.3; 4.89 90; 90; 120 | 78.303 | Avilov, A.S.; Imamov, R.M. The structure of selenium Kristallografiya, 1969, 14, 330-331 |
| 1535361 | CIF | C0.51 N0.12 Ti | P 31 2 1 | 3.057; 3.057; 14.895 90; 90; 120 | 120.549 | Tashmetov, M.Yu.; Em, V.T.; Mukhtarova, N.N. Trigonal ordered structure in titanium carbonitride Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1996, 32, 171-172 |
| 1536737 | CIF | As5 Ba2 Rb | P 31 2 1 | 7.7844; 7.7844; 14.309 90; 90; 120 | 750.914 | Emmerling, F.; Petri, D.; Roehr, C. Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2490-2501 |
| 1537223 | CIF | Be F2 | P 31 2 1 | 4.688; 4.688; 5.185 90; 90; 120 | 98.686 | Lacks, D.J.; Gordon, R.G. Crystal-structure calculations with distorted ions Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1993, 48, 2889-2908 |
| 1537224 | CIF | O2 Ti | P 31 2 1 | 5.291; 5.291; 6.133 90; 90; 120 | 148.689 | Lacks, D.J.; Gordon, R.G. Crystal-structure calculations with distorted ions Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1993, 48, 2889-2908 |
| 1540010 | CIF | Ba O2 Zn | P 31 2 1 | 5.886; 5.886; 6.734 90; 90; 120 | 202.043 | von Schnering, H.G.; Hoppe, R.; Zemann, J. Die Kristallstruktur des Ba Zn O2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1960, 305, 241-254 |
| 1540227 | CIF | C3.75 Ti6 | P 31 2 1 | 3.06; 3.06; 14.91 90; 90; 120 | 120.907 | Khaenko, B.V.; Kukol', V.V. Real order structure of titanium carbide Kristallografiya, 1989, 34, 1513-1517 |
| 1542919 | CIF HKL | B3 Ba2.76 Eu0.24 O15 P3 | P 31 2 1 | 7.104645; 7.104645; 6.986941 90; 90; 120 | 305.424 | Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+ Science of Advanced Materials, 2016, 8, 1086-1092 |
| 1548032 | CIF | C5 H7 N8 O0.5 Zn | P 31 2 1 | 9.6767; 9.6767; 20.172 90; 90; 120 | 1635.8 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548033 | CIF | C5 H6 N8 Zn | P 31 2 1 | 9.6963; 9.6963; 20.126 90; 90; 120 | 1638.7 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548034 | CIF | C5.7 H8.09 N8 Zn | P 31 2 1 | 9.663; 9.663; 20.224 90; 90; 120 | 1635.4 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548035 | CIF | C5.78 H7.56 N8 Zn | P 31 2 1 | 9.6896; 9.6896; 20.153 90; 90; 120 | 1638.6 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548036 | CIF | C5.13 H6 N8 O0.27 Zn | P 31 2 1 | 9.7682; 9.7682; 20.1 90; 90; 120 | 1660.9 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1549270 | CIF | C32 H33 N O3 | P 31 2 1 | 12.0961; 12.0961; 30.6664 90; 90; 120 | 3885.8 | Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L. Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations. Chemical science, 2018, 9, 4644-4649 |
| 1552956 | CIF | C7 H9.37 Fe O8.18 | P 31 2 1 | 8.7445; 8.7445; 10.935 90; 90; 120 | 724.1 | Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink. Analytical chemistry, 2016, 88, 5152-5158 |
| 1553400 | CIF | C25 H28 O9 | P 31 2 1 | 11.6878; 11.6878; 29.8747 90; 90; 120 | 3534.27 | Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J. Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton. Journal of natural products, 2018, 81, 2244-2250 |
| 1554047 | CIF | C48 H42 O6 | P 31 2 1 | 11.5313; 11.5313; 27.9387 90; 90; 120 | 3217.3 | Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry Unusual Chiroptical Properties of the Cryptophane-222 Skeleton. The journal of physical chemistry. B, 2016, 120, 12650-12659 |
| 1555274 | CIF | C9 H10 O8 | P 31 2 1 | 16.5141; 16.5141; 9.7096 90; 90; 120 | 2293.2 | Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I. Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights Chemical Science, 2019, 10, 9988 |
| 1557058 | CIF | C36.5 H57 B Cl F4 N4 P4 Rh | P 31 2 1 | 13.824; 13.824; 40.089 90; 90; 120 | 6635 | Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates Catalysis Science & Technology, 2020, 10, 630-634 |
| 1558667 | CIF | C24.38 H28.5 F1.5 N3 O5.62 | P 31 2 1 | 20.704; 20.704; 13.5643 90; 90; 120 | 5035.4 | Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020 |
| 1558669 | CIF | C24.75 H29.25 F1.5 N3 O5.62 | P 31 2 1 | 20.7; 20.7; 13.6652 90; 90; 120 | 5070.9 | Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020 |
| 1559676 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.7702; 13.7702; 13.2048 90; 90; 120 | 2168.42 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559677 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.9775; 13.9775; 13.0994 90; 90; 120 | 2216.4 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559679 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.9689; 14.9689; 12.6934 90; 90; 120 | 2463.14 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559681 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.0982; 14.0982; 13.0538 90; 90; 120 | 2247 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559682 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.6191; 13.6191; 13.2288 90; 90; 120 | 2124.9 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559683 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.366; 14.366; 12.8607 90; 90; 120 | 2298.6 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559684 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.218; 14.218; 13.0014 90; 90; 120 | 2276.1 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559685 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.515; 14.515; 12.8247 90; 90; 120 | 2340 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559686 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.9484; 13.9484; 13.1157 90; 90; 120 | 2209.89 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559687 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.8744; 14.8744; 12.7248 90; 90; 120 | 2438.2 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559688 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.921; 14.921; 12.7118 90; 90; 120 | 2450.94 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1560571 | CIF | O4 P Sm | P 31 2 1 | 7.038998; 7.038998; 6.370215 90; 90; 120 | 273.342 | Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy) Journal of Solid State Chemistry, 2017, 249, 221-227 |
| 1561477 | CIF | C32 H60 N12 O16 Zn2 | P 31 2 1 | 8.9788; 8.9788; 44.4258 90; 90; 120 | 3101.72 | ICHIMARU, Yoshimi; JIN, Wanchun; YAMAGUCHI, Yoshihiro; SUGIURA, Kirara; IMAI, Masanori; KUROSAKI, Hiromasa; FUJIOKA, Haruto; KOIKE, Tohru; HIEDA, Yuhzo; KATO, Koichi Crystal Structure of [1<sup>1</sup>,1<sup>4</sup>,1<sup>7</sup>,1<sup>10</sup>,5<sup>1</sup>,5<sup>4</sup>,5<sup>7</sup>,5<sup>10</sup>-Octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II) tetrakis(nitrate), [<i>m,m</i>-bis(Zn<sup>II</sup>-cyclen)](NO<sub>3</sub>)<sub>4</sub> X-ray Structure Analysis Online, 2021, 37, 15-16 |
| 1563323 | CIF | C16 H18 Cl N O3.25 Os | P 31 2 1 | 12.3794; 12.3794; 17.8331 90; 90; 120 | 2366.77 | Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells Chemical Science, 2021 |
| 1566003 | CIF | C32.5 H58.5 B1.5 Na Nd O8 | P 31 2 1 | 13.8957; 13.8957; 34.124 90; 90; 120 | 5706.3 | Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta, 2022, 529, 120638 |
| 1566427 | CIF | C30 H29 N O S | P 31 2 1 | 10.0094; 10.0094; 42.946 90; 90; 120 | 3726.2 | Zhang, Qiu-Chi; Xue, Xiaoping; Hong, Biqiong; Gu, Zhenhua Torsional Strain Inversed Chemoselectivity in Pd-Catalyzed Atroposelective Carboxylation Reaction of Dibenzothiophenium Chemical Science, 2022 |
| 1567635 | CIF | C24.24 H31.47 N3.18 O7.38 Zn2 | P 31 2 1 | 21.5982; 21.5982; 6.9071 90; 90; 120 | 2790.4 | Siegelman, Rebecca L.; Thompson, Joshua A.; Mason, Jarad; McDonald, Thomas M.; Long, Jeffrey R. A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas Chemical Science, 2022 |
| 1568325 | CIF | C8 H44 B40 Cu4 S4 | P 31 2 1 | 11.4344; 11.4344; 29.4398 90; 90; 120 | 3333.4 | Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence. Chemical science, 2023, 14, 1613-1626 |
| 1570278 | CIF | C42 H62 O6.5 | P 31 2 1 | 7.761; 7.761; 56.211 90; 90; 120 | 2932.16 | Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta Crystal Structure and Intermolecular Energy for Some Nandrolone Esters. Molecules (Basel, Switzerland), 2023, 28, 7179 |
| 1571126 | CIF | C54 H64 O8 | P 31 2 1 | 21.174; 21.174; 13.5099 90; 90; 120 | 5245.5 | Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran. Molecules (Basel, Switzerland), 2024, 29, 719 |
| 1571375 | CIF | C25 H25.17 N O2.08 | P 31 2 1 | 11.43405; 11.43405; 25.89293 90; 90; 120 | 2931.65 | Chen, Bin; Pan, Bendu; He, Xiaobo; Jiang, Long; Chan, Albert S. C.; Qiu, Liqin Access to chiral dihydrophenanthridines <i>via</i> a palladium(0)-catalyzed Suzuki coupling and C-H arylation cascade reaction using new chiral-bridged biphenyl bifunctional ligands. Chemical science, 2024, 15, 6884-6890 |
| 1571444 | CIF | C2.57 H3.86 Cu0.14 N0.86 O0.86 | P 31 2 1 | 10.8811; 10.8811; 31.653 90; 90; 120 | 3245.6 | Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids. Chemical science, 2024, 15, 7121-7129 |
| 2000053 | CIF | C20 H29 Cl N2 O2 Pd | P 31 2 1 | 10.734; 10.734; 35.245 90; 90; 120 | 3516.83 | Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A. A coordination compound of (‒)-ephedrine and palladium(II) Acta Crystallographica, Section C: Crystal Structure Communications, 1999, 55, 2028-2030 |
| 2001521 | CIF Paper | C20 Co6 O18 | P 31 2 1 | 9.71; 9.71; 25.746 90; 90; 120 | 2102.2 | Geiser, U.; Kini, A. M. Structure of the trigonal phase of bis(methinyltricobaltenneacarbonyl), [CCo~3~(CO)~9~]~2~ Acta Crystallographica Section C, 1993, 49, 1322-1324 |
| 2001717 | CIF Paper | C21 H29 Cl N2 O | P 31 2 1 | 11.086; 11.086; 14.367 90; 90; 120 | 1529.1 | Marsh, R. E. On the structure of 9-amino-2,7-di-<i>tert</i>-butylacridine Acta Crystallographica Section C, 1993, 49, 193 |
| 2001911 | CIF Paper | C56 H72 O8 | P 31 2 1 | 12.971; 12.971; 25.74 90; 90; 120 | 3750 | Ferguson, G.; Gallagher, J. F.; McKervey, M. A. Tetramethyl <i>tert</i>-butylcalix[4]arene tetraketone Acta Crystallographica Section C, 1993, 49, 602-604 |
| 2002855 | CIF | Cl Cu O2 Sr2 | P 31 2 1 | 4.003; 4.003; 27.67899 90; 90; 120 | 384.1 | Mueller-Buschbaum, Hk; Leib, W Ueber Oxocuprate, XXVI: Synthese und Struktur eines Oxohalogenocuprat(I): Sr2 Cu O2 Cl Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1985, 116, 1-5 |
| 2003929 | CIF Paper | C16 H32 Cl2 N12 O8 Pt | P 31 2 1 | 20.27; 20.27; 12.3 90; 90; 120 | 4377 | Sinur, A.; Grabner, S. A Platinum(II) Diammine Complex: <i>cis</i>-[Pt(C~8~H~11~N~5~O~3~)~2~(NH~3~)~2~]Cl~2~.2H~2~O Acta Crystallographica Section C, 1995, 51, 1769-1772 |
| 2004311 | CIF Paper | C10 H18 Br4 N8 S2 Zn | P 31 2 1 | 8.79; 8.79; 24.831 90; 90; 120 | 1661.5 | Salas, J. M.; Romero, M. A.; Faure, R. Bis(4,6-diamino-2-methylthiopyrimidinium) Tetrabromozincate(II) Acta Crystallographica Section C, 1995, 51, 2532-2534 |
| 2005488 | CIF Paper | C26 H18 Fe O4 | P 31 2 1 | 8.1765; 8.1765; 26.34 90; 90; 120 | 1525 | Ferguson, G.; Glidewell, C.; Royles, B. J. L.; Smith, D. M. 1,1'-Ferrocenediylbis(2-phenylethanedione): a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds Acta Crystallographica Section C, 1996, 52, 2465-2468 |
| 2007297 | CIF Paper | C13 H20 N O2 P S | P 31 2 1 | 9.921; 9.921; 26.88 90; 90; 120 | 2291.2 | Hommer, Herbert; Domínguez, Zaira; Gordillo, Bárbara (4<i>S</i>,6<i>S</i>,11<i>R</i>)-(+)-<i>trans</i>-4,6-Dimethyl-2-(1-phenylethylamino)-2-thio-1,3,2λ^5^-dioxaphosphorinane Acta Crystallographica Section C, 1998, 54, 832-834 |
| 2007501 | CIF Paper | C44.42 H60.84 O17.71 | P 31 2 1 | 11.0341; 11.0341; 62.874 90; 90; 120 | 6629.4 | Baxter, Robert L.; Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon β-Dihydroentandrophragmin‒Ethyl Acetate (1/0.355) Acta Crystallographica Section C, 1998, 54, 1182-1184 |
| 2009275 | CIF | C20 H29 Cl N2 O2 Pd | P 31 2 1 | 10.734; 10.734; 35.245 90; 90; 120 | 3517 | Bouquillon, Sandrine; du Moulinet d'Hardemare, Amaury; Averbuch-Pouchot, Marie-Thérèse; Hénin, Françoise; Muzart, Jacques; Durif, André A coordination compound of (-)-ephedrine and palladium(II) Acta Crystallographica Section C, 1999, 55, 2028-2030 |
| 2009765 | CIF Paper | H2 La Na O9 S2 | P 31 2 1 | 7.0557; 7.0557; 12.9669 90; 90; 120 | 559.05 | Blackburn, A.C.; Gerkin, R.E. Sodium lanthanum(III) sulfate monohydrate, NaLa(SO~4~)~2~.H~2~O Acta Crystallographica Section C, 1994, 50, 835-838 |
| 2011949 | CIF Paper | C30 H48 O3 | P 31 2 1 | 11.3717; 11.3717; 36.739 90; 90; 120 | 4114.4 | Mora, Asiloé J.; Delgado, Gerzon; Delgado, Graciela Díaz de; Usubillaga, Alfredo; Khouri, Nancy; Bahsas, Ali 3α-Hydroxytirucalla-7,24-dien-21-oic acid: a triterpene from <i>Protium crenatum</i> Sandwith Acta Crystallographica Section C, 2001, 57, 638-640 |
| 2012328 | CIF Paper | Ca1.73 Ge3 Na2.54 O9 | P 31 2 1 | 10.78; 10.78; 13.449 90; 90; 120 | 1353.5 | Nishi, Fumito Trigonal sodium calcium germanate, Na~2.54~Ca~1.73~Ge~3~O~9~ Acta Crystallographica Section C, 2001, 57, 1231-1233 |
| 2015875 | CIF HKL Paper | C10 H20 N2 Ni O9 S2 | P 31 2 1 | 11.3363; 11.3363; 11.1523 90; 90; 120 | 1241.2 | M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain Acta Crystallographica Section C, 2007, 63, m153-m156 |
| 2015876 | CIF HKL Paper | C11 H22 N2 Ni O10 S | P 31 2 1 | 11.2916; 11.2916; 23.66 90; 90; 120 | 2612.5 | M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain Acta Crystallographica Section C, 2007, 63, m153-m156 |
| 2020133 | CIF | Ca H1.6 O4.8 S | P 31 2 1 | 6.968; 6.968; 6.41 90; 90; 120 | 269.529 | Abriel, W. Calcium Sulfat Subhydrat, Ca S O4 (H2 O).8 Acta Crystallographica C (39,1983-), 1983, 39, 956-958 |
| 2020170 | CIF | Cd H8 N4 O12 Sr | P 31 2 1 | 7.6379; 7.6379; 18.707 90; 90; 120 | 945.111 | Aoyama, T.; Ohba, S.; Saito, Y. Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate. Acta Crystallographica C (39,1983-), 1988, 44, 1703-1707 |
| 2020222 | CIF | Te | P 31 2 1 | 4.456; 4.456; 5.921 90; 90; 120 | 101.816 | Adenis, C.; Langer, V.; Lindqvist, O. Reinvestigation of the structure of tellurium Acta Crystallographica C (39,1983-), 1989, 45, 941-942 |
| 2022614 | CIF HKL Paper | C20 H28 Cl O2.5 | P 31 2 1 | 10.5989; 10.5989; 28.4478 90; 90; 120 | 2767.58 | Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C, 2022, 78, 305-313 |
| 2100205 | CIF | B4 Fe3 Gd O12 | P 31 2 1 | 9.5305; 9.5305; 7.5479 90; 90; 120 | 593.73 | Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M. Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4 Acta Crystallographica, Section B: Structural Science, 2005, 61, 481-485 |
| 2102615 | CIF Paper | C13.08 H25 N3 O6 | P 31 2 1 | 16.0682; 16.0682; 11.5317 90; 90; 120 | 2578.4 | Görbitz, Carl Henrik A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine Acta Crystallographica Section B, 2004, 60, 569-577 |
| 2103346 | CIF Paper | C15 H21 Br O3 | P 31 2 1 | 7.59; 7.59; 43.99 90; 90; 120 | 2194.67 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103348 | CIF Paper | C18 H18 Cu N2 Ni O9 | P 31 2 1 | 12.8071; 12.8071; 9.8157 90; 90; 120 | 1394.29 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103350 | CIF Paper | C22 H28 Fe2 | P 31 2 1 | 8.059; 8.059; 25.187 90; 90; 120 | 1416.67 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103351 | CIF Paper | C24 H20 Cl2 N4 Pd | P 31 2 1 | 9.136; 9.136; 23.34 90; 90; 120 | 1687.11 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103352 | CIF Paper | C20 H38 Cl P S | P 31 2 1 | 8.518; 8.518; 26.638 90; 90; 120 | 1673.81 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103355 | CIF Paper | C21 H51 O8 P5 Pd5 S4 | P 31 2 1 | 10.749; 10.749; 19.872 90; 90; 120 | 1988.42 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103360 | CIF Paper | C34 H48 Co N2 O2 | P 31 2 1 | 8.971; 8.971; 34.01 90; 90; 120 | 2370.39 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103365 | CIF Paper | C32 H40 Er F12 Na O8 | P 31 2 1 | 13.114; 13.114; 21.004 90; 90; 120 | 3128.26 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103368 | CIF Paper | C61 H52 Mo2 O8 P2 S2 | P 31 2 1 | 11.034; 11.034; 39.495 90; 90; 120 | 4164.27 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103369 | CIF Paper | C35 H37 Fe2 N5 O11 S2 | P 31 2 1 | 19.406; 19.406; 10.759 90; 90; 120 | 3508.93 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103373 | CIF Paper | C20 H22 N4 O2 | P 31 2 1 | 9.28; 9.28; 19.329 90; 90; 120 | 1441.57 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103380 | CIF Paper | C10 H20 Co N2 O9.5 | P 31 2 1 | 11.053; 11.053; 9.889 90; 90; 120 | 1046.27 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103383 | CIF Paper | C24 H38 N2 O2 Os | P 31 2 1 | 8.539; 8.539; 28.123 90; 90; 120 | 1775.85 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103385 | CIF Paper | C18 H18 N2 O2 | P 31 2 1 | 12.846; 12.846; 8.138 90; 90; 120 | 1163.01 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103844 | CIF HKL Paper | C20 H24 N2 O4 | P 31 2 1 | 6.7302; 6.7302; 34.345 90; 90; 120 | 1347.3 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher (1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines Acta Crystallographica Section B, 2003, 59, 118-131 |
| 2104859 | CIF HKL Paper | C15 H21 Cl N2 S | P 31 2 1 | 9.0538; 9.0538; 32.4921 90; 90; 120 | 2306.59 | Plutecka, Agnieszka; Rychlewska, Urszula; Prusinowska, Natalia; Gawroński, Jacek Solid solution of two diastereomers of [3a(<i>R</i>,<i>S</i>),7a(<i>R</i>,<i>S</i>)]-3-[(1'<i>R</i>)-1-phenylethyl]perhydro-1,3-benzothiazol-2-iminium chloride Acta Crystallographica Section B, 2010, 66, 678-686 |
| 2106932 | CIF | Fe7 S8 | P 31 2 1 | 6.866; 6.866; 17.088 90; 90; 120 | 697.637 | Keller-Besrest, F.; Collin, G. Structure and planar faults in the defective Ni As-type compound 3c Fe7 S8 Acta Crystallographica B (39,1983-), 1982, 39, 296-303 |
| 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 |
| 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 |
| 2108502 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5177; 9.5177; 7.538 90; 90; 120 | 591.36 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108503 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5245; 9.5245; 7.5481 90; 90; 120 | 592.997 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108504 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5291; 9.5291; 7.5601 90; 90; 120 | 594.514 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108505 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5301; 9.5301; 7.5615 90; 90; 120 | 594.749 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2200745 | CIF HKL Paper | Hg3 O6 S | P 31 2 1 | 7.0429; 7.0429; 10.0166 90; 90; 120 | 430.28 | Weil, Matthias Schuetteite, Hg~3~(SO~4~)O~2~, a re-investigation Acta Crystallographica Section E, 2001, 57, i98-i100 |
| 2201295 | CIF HKL Paper | C4 H10 Li N O5 | P 31 2 1 | 7.4925; 7.4925; 23.989 90; 90; 120 | 1166.26 | Henderson, Wesley A.; Brooks, Neil R.; Smyrl, William H. Polymeric [Li(NO~3~)(monoglyme)]~<i>n~</i> Acta Crystallographica Section E, 2002, 58, m500-m501 |
| 2202447 | CIF HKL Paper | C32 H49 Cl O9 | P 31 2 1 | 13.4869; 13.4869; 31.046 90; 90; 120 | 4890.6 | Philip J. Kuehl; Carducci, Michael D.; Paul B. Myrdal An ethanol solvate of Beclomethasone dipropionate Acta Crystallographica Section E, 2003, 59, o1888-o1890 |
| 2202639 | CIF HKL Paper | C34 H51 Cl F4 O9 | P 31 2 1 | 13.4642; 13.4642; 31.1187 90; 90; 120 | 4885.5 | Julie A. Harris; Carducci, Michael D.; Myrdal, Paul B. Beclomethasone dipropionate crystallized from HFA-134a and ethanol Acta Crystallographica Section E, 2003, 59, o1631-o1633 |
| 2206101 | CIF HKL Paper | C7 H3 N2 Na O6 | P 31 2 1 | 10.7701; 10.7701; 6.3526 90; 90; 120 | 638.15 | Jones, Helen P.; Gillon, Amy L.; Davey, Roger J. Sodium 3,5-dinitrobenzoate Acta Crystallographica Section E, 2005, 61, m1131-m1132 |
| 2213057 | CIF HKL Paper | C32 H44 N2 O8 | P 31 2 1 | 10.8279; 10.8279; 44.2504 90; 90; 120 | 4493 | Wang, Yun-Pu; Sun, Wen-Xiu; Zhang, Ji; Liu, Han-Shi; Wen, Hui-Hui Lappaconitine Acta Crystallographica Section E, 2007, 63, o1645-o1647 |
| 2214391 | CIF HKL Paper | C72 H70 F12 N8 O2 P2 Pd2 | P 31 2 1 | 22.1138; 22.1138; 12.8884 90; 90; 120 | 5458.29 | Hai-Ping Huang; Li-Xia Liu Bis(μ-4-benzyl-3,5-diphenylpyrazolato-κ^2^<i>N</i>:<i>N</i>')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] bis(hexafluorophosphate) diethyl ether monosolvate monohydrate Acta Crystallographica Section E, 2007, 63, m1875-m1876 |
| 2219917 | CIF HKL Paper | C38 H32 Cd N6 O8 | P 31 2 1 | 13.038; 13.038; 18.069 90; 90; 120 | 2660 | Chen, Yu-Ting; Li, Da-Cheng Bis[2-hydroxy-<i>N</i>'-(2-hydroxybenzoyl)benzohydrazitato]dipyridinecadmium(II) Acta Crystallographica Section E, 2008, 64, m1466 |
| 2219995 | CIF HKL Paper | C32 H53 N3 O6 | P 31 2 1 | 13.9784; 13.9784; 30.4763 90; 90; 120 | 5157.1 | Xu, Wen Jie; Liao, Xiao Jian; Diao, Jian Zhong; Zhou, Lei; Xu, Shi Hai <i>N</i>-{<i>N</i>-[<i>N</i>-(1,1-Dimethylethoxycarbonyl)-<small>L</small>-leucyl]-<i>N</i>-methyl-<small>L</small>-leucyl}-<i>N</i>-methyl-<small>L</small>-leucine benzyl ester Acta Crystallographica Section E, 2008, 64, o2178 |
| 2224030 | CIF HKL Paper | C25 H28 N4 O6 | P 31 2 1 | 11.9901; 11.9901; 13.6054 90; 90; 120 | 1693.9 | Benzeid, Hanane; Saffon, Nathalie; Garrigues, Bernard; Essassi, El Mokhtar; Ng, Seik Weng 10,10'-Methylenebis[2,3-dihydro-1<i>H</i>-benzo[<i>e</i>]pyrrolo[1,2-<i>a</i>][1,4]diazepine-5,11(10<i>H</i>,11a<i>H</i>)-dione] dihydrate Acta Crystallographica Section E, 2009, 65, o2684 |
| 2224604 | CIF HKL Paper | C32 H40 Ba Co N4 O10 S4 | P 31 2 1 | 12.5772; 12.5772; 23.758 90; 90; 120 | 3254.7 | Cao, Zhiqiang; Liu, Kai; Niu, Meiju; Wang, Daqi Bis(benzo-15-crown-5-κ^5^<i>O</i>)barium tetrakis(isothiocyanato-κ<i>N</i>)cobaltate(II) Acta Crystallographica Section E, 2010, 66, m68 |
| 2225097 | CIF HKL Paper | C14 H20 N3 O7.5 | P 31 2 1 | 8.6373; 8.6373; 37.021 90; 90; 120 | 2391.9 | Chen, Hua-Feng; Bai, Xue; Zhang, Kuan; Li, Ying; Yin, Shu-Fan 1-[4-(β-<small>D</small>-Allopyranosyloxy)benzylidene]semicarbazide hemihydrate Acta Crystallographica Section E, 2010, 66, o321 |
| 2226677 | CIF HKL Paper | C15 H18 Cl5 Mo N3 O2 | P 31 2 1 | 11.3972; 11.3972; 29.4265 90; 90; 120 | 3310.29 | Fernandes, José A.; Gomes, Ana C.; Figueiredo, Sónia; Gago, Sandra; Ribeiro-Claro, Paulo J. A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A. Tripyridinium <i>cis</i>-tetrachloridodioxidomolybdate(VI) chloride Acta Crystallographica Section E, 2010, 66, m862-m863 |
| 2229670 | CIF HKL Paper | C30 H48 O3 | P 31 2 1 | 11.2794; 11.2794; 36.6986 90; 90; 120 | 4043.45 | Yousuf, S.; Kamdem, R. S. T.; Ngadjui, B. T.; Wafo, P.; Fun, Hoong-Kun 3α-Hydroxytirucalla-8,24-dien-21-oic acid Acta Crystallographica Section E, 2011, 67, o937-o938 |
| 2229827 | CIF HKL Paper | C30 H46.9 F0.1 O2.9 | P 31 2 1 | 11.2868; 11.2868; 36.446 90; 90; 120 | 4020.9 | Yousuf, S.; Kamdem, R. S. T.; Wafo, P.; Ngadjui, B. T.; Fun, Hoong-Kun A cocrystal of 3α-hydroxytirucalla-8,24-dien-21-oic acid and 3β-fluorotirucalla-7,24-dien-21-oic acid (0.897:0.103) Acta Crystallographica Section E, 2011, 67, o1015-o1016 |
| 2233257 | CIF HKL Paper | C22 H27 N5 O6 Zn2 | P 31 2 1 | 9.0521; 9.0521; 52.47 90; 90; 120 | 3723.4 | Rodriguez, Mark A.; Sava, Dorina F.; Nenoff, Tina M. <i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')-zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>'] Acta Crystallographica Section E, 2012, 68, m59-m60 |
| 2240741 | CIF HKL Paper | C26 H30 O2 | P 31 2 1 | 14.6205; 14.6205; 20.2672 90; 90; 120 | 3751.9 | Thiruvalluvar, A.; Chithiravel, R.; Muthusubramanian, S.; Butcher, R. J. 1,3,5-Tri-<i>p</i>-tolylpentane-1,5-diol Acta Crystallographica Section E, 2014, 70, o122-o123 |
| 2242352 | CIF HKL Paper | Eu K O9 S2 | P 31 2 1 | 6.9065; 6.9065; 12.7802 90; 90; 120 | 527.94 | Paul, Avijit Kumar Synthesis and crystal structure of a new polymorph of potassium europium(III) bis(sulfate) monohydrate, KEu(SO~4~)~2~·H~2~O Acta Crystallographica Section E, 2018, 74, 242-245 |
| 2300365 | CIF HKL | Ge O2 | P 31 2 1 | 4.989; 4.989; 5.6527 90; 90; 120 | 121.847 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
| 2300367 | CIF | Ge0.96 O2 Si0.04 | P 31 2 1 | 4.9805; 4.9805; 5.627 90; 90; 120 | 120.88 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
| 2300369 | CIF HKL | Ge0.83 O2 Si0.17 | P 31 2 1 | 4.9707; 4.9707; 5.5873 90; 90; 120 | 119.555 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
| 2310626 | CIF | H6 N2 O | P 31 2 1 | 4.873; 4.873; 10.94 90; 90; 120 | 224.978 | Liminga, R.; Olovsson, I. The Crystal Structure of Hydrazine Monohydrate Acta Crystallographica (1,1948-23,1967), 1964, 17, 1523-1528 |
| 2310664 | CIF | Al O4 P | P 31 2 1 | 4.941; 4.941; 10.95 90; 90; 120 | 231.513 | Sharan, B.; Dutta, B.N. Atomic Coordinates of Al P O4 Acta Crystallographica (1,1948-23,1967), 1964, 17, 82-85 |
| 2310839 | CIF | Te | P 31 2 1 | 4.4572; 4.4572; 5.929 90; 90; 120 | 102.008 | Cherin, P.; Unger, P. Two-dimensional refinement of the crystal structure of tellurium Acta Crystallographica (1,1948-23,1967), 1967, 23, 670-671 |
| 2310968 | CIF | Ba O2 Zn | P 31 2 1 | 5.927; 5.927; 6.707 90; 90; 120 | 204.046 | Spitsbergen, U. The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2 Acta Crystallographica (1,1948-23,1967), 1960, 13, 197-198 |
| 2310969 | CIF | Ba Co O2 | P 31 2 1 | 5.85; 5.85; 6.73 90; 90; 120 | 199.461 | Spitsbergen, U. The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2 Acta Crystallographica (1,1948-23,1967), 1960, 13, 197-198 |
| 2311983 | CIF Paper | C30 H30 N6 O8 S2 Zn2 | P 31 2 1 | 10.5383; 10.5383; 26.135 90; 90; 120 | 2513.6 | Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R. First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action. Acta crystallographica. Section C, Structural chemistry, 2018, 74, 263-268 |
| 4000381 | CIF | C12 H8 N3 S4 | P 31 2 1 | 16.182; 16.182; 4.2947 90; 90; 120 | 974 | Chemistry of Materials, 2004 |
| 4000499 | CIF | H2 La Na O9 S2 | P 31 2 1 | 7.0538; 7.0538; 12.9625 90; 90; 120 | 558.55 | Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates Chemistry of Materials, 2005, 17, 2701-2706 |
| 4000501 | CIF | H2 Na Nd O9 S2 | P 31 2 1 | 6.968; 6.968; 12.856 90; 90; 120 | 540.6 | Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates Chemistry of Materials, 2005, 17, 2701-2706 |
| 4000959 | CIF | B10 Na O27 U2 | P 31 2 1 | 6.441; 6.441; 41.836 90; 90; 120 | 1503.1 | Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E. Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials Chemistry of Materials, 2010, 22, 2155 |
| 4002286 | CIF | Cr0.955 S2 V0.755 | P 31 2 1 | 6.85625; 6.85625; 17.2504 90; 90; 120 | 702.268 | Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-), 2000, 12, 2705-2714 |
| 4002977 | CIF | C6 H24 Bi2 I10 N4 O2 | P 31 2 1 | 14.7769; 14.7769; 13.6748 90; 90; 120 | 2585.9 | Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip; Krishna, Swathi; Nair, Vijayakumar C. Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure Chemistry of Materials, 2019, 31, 1941 |
| 4003219 | CIF | C60 H48 In3 N12 O22 | P 31 2 1 | 24.4186; 24.4186; 55.4757 90; 90; 120 | 28646.7 | Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform Chemistry of Materials, 2016, 28, 2000 |
| 4024605 | CIF | C23 H28 N2 O4 | P 31 2 1 | 9.5948; 9.5948; 40.057 90; 90; 120 | 3193.6 | Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives Journal of Organic Chemistry, 2009, 74, 4655-4665 |
| 4026238 | CIF | C30 H28 N2 O4 S2 | P 31 2 1 | 10.6948; 10.6948; 40.1721 90; 90; 120 | 3979.2 | Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm Synthesis and Conformation of Chiral Biheteroaryls Journal of Organic Chemistry, 2011, 76, 3222-3230 |
| 4026699 | CIF | C11 H13 N O2 | P 31 2 1 | 5.983; 5.983; 46.449 90; 90; 120 | 1439.94 | Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity Journal of Organic Chemistry, 2011, 76, 8833-8839 |
| 4027950 | CIF | C44 H68 F6 Fe N4 O8 S2 | P 31 2 1 | 18.797; 18.797; 12.998 90; 90; 120 | 3977.3 | Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts Journal of Organic Chemistry, 2013, 78, 1421-1433 |
| 4036165 | CIF | C12 H21 N O3 S | P 31 2 1 | 9.1086; 9.1086; 29.0117 90; 90; 120 | 2084.52 | Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V. Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold. The Journal of organic chemistry, 2015, 80, 3974-3981 |
| 4036379 | CIF | C26 H33 N3 O2 | P 31 2 1 | 9.51079; 9.51079; 44.3094 90; 90; 120 | 3471.04 | O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J. Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations. The Journal of organic chemistry, 2015, 80, 10177-10186 |
| 4036439 | CIF | C26 H26 N2 O8 | P 31 2 1 | 9.367; 9.367; 49.29 90; 90; 120 | 3745 | Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction. The Journal of organic chemistry, 2015, 80, 12038-12046 |
| 4063948 | CIF | C52 H48 Cl N2 P4 Ru | P 31 2 1 | 14.3828; 14.3828; 41.675 90; 90; 120 | 7466.1 | Dyer, Hellen; Picot, Alexandre; Vendier, Laure; Auffrant, Audrey; Le Floch, Pascal; Sabo-Etienne, Sylviane Tridentate and Tetradentate Iminophosphorane-Based Ruthenium Complexes in Catalytic Transfer Hydrogenation of Ketones Organometallics, 2011, 30, 1478 |
| 4064620 | CIF | C32 H30 Cu Fe2 N2 O2 | P 31 2 1 | 11.314; 11.314; 17.897 90; 90; 120 | 1984 | Zhang, Xiang; Luck, Rudy L.; Fang, Shiyue Ferrosalen and Ferrosalen-Type Ligands: Structural Modulation and Applications in Asymmetric Catalysis Organometallics, 2011, 30, 2609 |
| 4065679 | CIF | C49 H72 Cl4 N8 Zn4 | P 31 2 1 | 11.8438; 11.8438; 34.4247 90; 90; 120 | 4182 | Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes Organometallics, 2010, 29, 2093 |
| 4065680 | CIF | C50 H72 Br4 N8 Zn4 | P 31 2 1 | 11.969; 11.969; 34.481 90; 90; 120 | 4277.9 | Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes Organometallics, 2010, 29, 2093 |
| 4072092 | CIF | C57 H61 B Hf N6 | P 31 2 1 | 20.872; 20.872; 21.022 90; 90; 120 | 7931 | Lee, Han; Nienkemper, Katrin; Jordan, Richard F. Synthesis and Reactivity of a Sterically Crowded Tris(pyrazolyl)borate Hafnium Benzyl Complex Organometallics, 2008, 27, 5075 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!