Crystallography Open Database
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COD ID  |
Links | Formula |
Space group  |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2104251 | CIF Paper | C15 H16 N2 O3 | C 1 2 1 | 32.006; 5.4698; 20.8451 90; 128.69; 90 | 2848.4 | Lemmerer, Andreas; Báthori, Nikoletta B.; Bourne, Susan A. Chiral carboxylic acids and their effects on melting-point behaviour in co-crystals with isonicotinamide Acta Crystallographica Section B, 2008, 64, 780-790 |
| 2104291 | CIF Paper | B3 Bi O6 | C 1 2 1 | 7.3786; 4.3992; 6.3388 90; 104.374; 90 | 199.32 | Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M. High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data Acta Crystallographica Section B, 2009, 65, 1-10 |
| 2104298 | CIF HKL Paper | C41 H26 N2 O8 | C 1 2 1 | 16.9672; 8.0833; 25.0204 90; 116.312; 90 | 3076 | Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods Acta Crystallographica Section B, 2009, 65, 86-95 |
| 2104301 | CIF HKL Paper | C46 H40 N4 O8 S | C 1 2 1 | 22.374; 9.319; 20.515 90; 110.14; 90 | 4015.9 | Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods Acta Crystallographica Section B, 2009, 65, 86-95 |
| 2104405 | CIF Paper | Bi10 Mo3 O24 | C 1 2 1 | 23.7282; 5.6491; 8.6817 90; 95.87; 90 | 1157.62 | Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy Acta Crystallographica Section B, 2009, 65, 458-466 |
| 2104407 | CIF Paper | Bi14 Mo5 O36 | C 1 2 1 | 34.476; 5.6414; 8.6433 90; 99.69; 90 | 1657.08 | Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy Acta Crystallographica Section B, 2009, 65, 458-466 |
| 2104586 | CIF Paper | C14 H21 N O7 | C 1 2 1 | 8.913; 5.0967; 31.892 90; 95.313; 90 | 1442.5 | Marsh, Richard E. Space groups <i>P</i>1 and <i>Cc</i>: how are they doing? Acta Crystallographica Section B, 2009, 65, 782-783 |
| 2104805 | CIF HKL Paper | C23 H30 N2 | C 1 2 1 | 28.37; 6.6841; 21.6271 90; 105.94; 90 | 3943.4 | Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons Acta Crystallographica Section B, 2010, 66, 472-481 |
| 2104832 | CIF Paper | Cl2 H8 Mg O12 | C 1 2 1 | 11.48059; 8.00253; 5.93697 90; 112.328; 90 | 504.56 | Robertson, Kevin; Bish, David Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method Acta Crystallographica Section B, 2010, 66, 579-584 |
| 2105042 | CIF Paper | Ca H O4.5 S | C 1 2 1 | 17.518; 6.9291; 12.0344 90; 133.655; 90 | 1056.89 | Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O Acta Crystallographica Section B, 2011, 67, 467-475 |
| 2105073 | CIF HKL Paper | C50 H102 O46 S2 | C 1 2 1 | 18.8929; 24.4634; 15.7376 90; 110.52; 90 | 6812.18 | Rácz, Csaba-Pal; Borodi, Gheorghe; Pop, Mihaela Maria; Kacso, Irina; Sánta, Szabolcs; Tomoaia-Cotisel, Maria Structure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data Acta Crystallographica Section B, 2012, 68, 164-170 |
| 2105443 | CIF HKL Paper | C80.75 H175.5 O82.25 | C 1 2 1 | 28.7452; 27.0276; 15.7252 90; 95.827; 90 | 12154 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
| 2105444 | CIF HKL Paper | C79.46 H120.12 O73.55 | C 1 2 1 | 28.725; 27.195; 15.838 90; 95.92; 90 | 12306 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
| 2105445 | CIF HKL Paper | C78.5 H86.4 O73.2 | C 1 2 1 | 28.712; 27.267; 15.79 90; 95.4; 90 | 12307 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
| 2105942 | CIF HKL Paper | C80.75 H175.5 O82.25 | C 1 2 1 | 28.7452; 27.0276; 15.7252 90; 95.827; 90 | 12154 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
| 2105943 | CIF HKL | C79.46 H120.12 O73.55 | C 1 2 1 | 28.725; 27.195; 15.838 90; 95.92; 90 | 12306 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
| 2105944 | CIF HKL | C78.5 H86.4 O73.2 | C 1 2 1 | 28.712; 27.267; 15.79 90; 95.4; 90 | 12307 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
| 2106187 | CIF | Cr P S4 | C 1 2 1 | 10.871; 7.254; 6.14 90; 91.88; 90 | 483.929 | Diehl, R.; Carpentier, C.D. The crystal structure of chromium thiophosphate, Cr P S4 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1399-1404 |
| 2106272 | CIF | Ga H12 Li O8 | C 1 2 1 | 17.38; 6.394; 7.534 90; 92.8; 90 | 836.237 | Caranoni, C.; Capella, L.; Pepe, G. Structure cristalline du gallate de lithium hexahydrate, Li Ga O2 (H2 O)6 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 741-745 |
| 2106539 | CIF | Bi2 O6 U | C 1 2 1 | 6.872; 4.009; 9.69 90; 90.16; 90 | 266.957 | Koster, A.S.; Renaud, J.P.P.; Rieck, G.D. The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 127-131 |
| 2106777 | CIF HKL Paper | Bi14 O36 S5 | C 1 2 1 | 21.658; 5.6648; 15.092 90; 119.433; 90 | 1612.6 | Pinto, Daniela; Garavelli, Anna; Bindi, Luca Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~ Acta Crystallographica Section B, 2015, 71 |
| 2108128 | CIF HKL Paper | C12 H29 Br2 Ca O15 | C 1 2 1 | 16.1449; 7.8881; 11.4702 90; 128.842; 90 | 1137.75 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study Acta Crystallographica Section B, 2017, 73, 737-743 |
| 2108129 | CIF HKL | C12 H29 Br2 O15 Sr | C 1 2 1 | 16.439; 8.024; 11.1931 90; 128.142; 90 | 1161.2 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study Acta Crystallographica Section B, 2017, 73, 737-743 |
| 2108370 | CIF HKL Paper | C10 H17 N O6 | C 1 2 1 | 21.2256; 5.67647; 32.0621 90; 100.17; 90 | 3802.35 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108371 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.2633; 5.67322; 32.053 90; 100.076; 90 | 3807 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108372 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.33; 5.67423; 32.0776 90; 99.937; 90 | 3824.15 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108373 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.3889; 5.67352; 32.0754 90; 99.818; 90 | 3835.4 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108374 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.4563; 5.67251; 32.0779 90; 99.653; 90 | 3849 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108375 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.5229; 5.6692; 32.0754 90; 99.486; 90 | 3860.2 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108376 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.6021; 5.6701; 32.0856 90; 99.299; 90 | 3878.4 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108377 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.6777; 5.665; 32.0878 90; 99.115; 90 | 3890.8 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108378 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.7528; 5.6663; 32.0956 90; 98.955; 90 | 3907.8 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108383 | CIF HKL | C15 H12 O9.5 | C 1 2 1 | 23.2416; 5.2305; 25.4061 90; 102.634; 90 | 3013.7 | Terekhov, Roman P.; Selivanova, Irina A.; Tyukavkina, Nonna A.; Shylov, Genadiy V.; Utenishev, Andrey N.; Porozov, Yuri B. Taxifolin tubes: crystal engineering and characteristics Acta Crystallographica Section B, 2019, 75 |
| 2108385 | CIF HKL | C26 H26 N4 O4 | C 1 2 1 | 23.479; 8.602; 16.899 90; 129.963; 90 | 2615.9 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108386 | CIF HKL | C30 H34 N4 O6 | C 1 2 1 | 22.9673; 8.8676; 16.7749 90; 118.613; 90 | 2999.2 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108489 | CIF HKL Paper | Ca Cu6 O18 P4 Rb2 | C 1 2 1 | 16.8913; 5.6406; 8.3591 90; 93.919; 90 | 794.57 | Aksenov, Sergey M.; Borovikova, Elena Yu.; Mironov, Vladimir S.; Yamnova, Natalia A.; Volkov, Anatoly S.; Ksenofontov, Dmitry A.; Gurbanova, Olga A.; Dimitrova, Olga V.; Deyneko, Dina V.; Zvereva, Elena A.; Maximova, Olga V.; Krivovichev, Sergey V.; Burns, Peter C.; Vasiliev, Alexander N. Rb~2~CaCu~6~(PO~4~)~4~O~2~, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates Acta Crystallographica Section B, 2019, 75 |
| 2108656 | CIF HKL | C29 H20 Br3 Mn O4 P2 S | C 1 2 1 | 15.366; 16.035; 14.327 90; 91.21; 90 | 3529.3 | Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions Acta Crystallographica Section B, 2020, 76 |
| 2108762 | CIF Paper | C16 H26 O6 | C 1 2 1 | 12.5887; 6.9; 18.2523 90; 107.227; 90 | 1514.31 | Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal Acta Crystallographica Section B, 2021, 77 |
| 2108984 | CIF HKL Paper | C68 H67 N4 O18 Zn2 | C 1 2 1 | 12.05; 8.11; 31.47 90; 92.48; 90 | 3073 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
| 2311632 | CIF | C19 H22 Cl N O8 | C 1 2 1 | 21.931; 8.6541; 11.797 90; 117.57; 90 | 1984.7 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
| 1000158 | CIF | Cr F5 Mn | C 1 2/c 1 | 8.586; 6.291; 7.381 90; 115.46; 90 | 360 | Ferey, G; de Pape, R; Poulain, M; Grandjean, D; Hardy, A La structure cristalline de Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1409-1413 |
| 1000159 | CIF | Cr F5 Mn | C 1 2/c 1 | 8.856; 6.291; 7.381 90; 115.46; 90 | 371.3 | Ferey, G; de Pape, R; Boucher, B Structure magnetique du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1084-1091 |
| 1000160 | CIF | Cr F5 Mn | C 1 2/c 1 | 8.856; 6.291; 7.381 90; 115.46; 90 | 371.3 | Ferey, G; de Pape, R; Boucher, B Structure cristalline du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1084-1091 |
| 1001784 | CIF | H13 N3 O8 S2 | C 1 2/c 1 | 15.435; 5.865; 10.1696 90; 101.829; 90 | 901.1 | Leclaire, A; Ledesert, M; Monier, J C; Daoud, A; Damak, M Structure du disulfate acide de triammonium. Une redetermination. Relations des chaines de liaisons hydrogene avec la morphologie et la conductivite eletrique Acta Crystallographica B (39,1983-), 1985, 41, 209-213 |
| 1007009 | CIF | Be2 H4 N O10 P3 | C 1 2/c 1 | 12.202; 8.645; 8.949 90; 117.41; 90 | 838 | Averbuch-Pouchot, M T; Durif, A; Coing-Boyat, J; Guitel, J C Phosphoberyllate d'ammonium Acta Crystallographica B (24,1968-38,1982), 1977, 33, 203-205 |
| 1007010 | CIF | H4 N O12 P4 Pr | C 1 2/c 1 | 7.916; 12.647; 10.672 90; 110.34; 90 | 1001.8 | Masse, R.; Guitel, J. C.; Durif, A. Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrNH~4~P~4~O~12~. Donnees cristallographiques de PrNH~4~P~4~O~12~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 630-632 |
| 1007014 | CIF | Ag Ba H8 O13 P3 | C 1 2/c 1 | 21.35; 7.163; 18.35 90; 121.72; 90 | 2387.1 | Seethanen, D; Durif, A; Guitel, J C Structure cristalline du trimetaphosphate de baryum-argent tetrahydrate. Ba Ag P~3~ O~9~ (H~2~ O)~4~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2716-2719 |
| 1007027 | CIF | Ba2 H20 O28 P6 Zn | C 1 2/c 1 | 26.52; 7.625; 12.92 90; 100.93; 90 | 2565.2 | Durif, A; Averbuch-Pouchot, M T; Guitel, J C Structure cristalline du trimetaphosphate de baryum-zinc decahydrate Ba~2~ Zn (P~3~ O~9~)~2~ (H~2~ O)~10~ Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2680-2682 |
| 1007041 | CIF | Cd Cr4 H12 N2 O16 | C 1 2/c 1 | 14.48; 6.974; 15.86 90; 93.25; 90 | 1599 | Blum, D; Durif, A; Guitel, J C Structure du dichromate de cadmium et d'ammonium dihydrate: Cd (N H~4~)~2~ (Cr~2~ O~7~)~2~ (H~2~ O)~2~ Acta Crystallographica B (24,1968-38,1982), 1980, 36, 137-139 |
| 1008013 | CIF | Fe H4 O11 P3 | C 1 2/c 1 | 12.076; 8.443; 9.352 90; 112.1; 90 | 883.5 | Averbuch, M T; Guitel, J C Un tripolyphosphate acide de fer Fe H~2~ P~3~ O~10~ . H~2~ O Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1613-1615 |
| 1008498 | CIF | Cu O6 Pt Sr3 | C 1 2/c 1 | 9.317; 9.72; 6.685 90; 91.95; 90 | 605.1 | Hodeau, J L; Tu, H Y; Bordet, P; Fournier, T; Strobel, P; Marezio, M; Chandrashekhar, G V Structure and twinning of Sr~3~CuPtO~6~ Acta Crystallographica B (39,1983-), 1992, 48, 1-11 |
| 1008812 | CIF | B4 H20 Na2 O17 | C 1 2/c 1 | 11.885; 10.654; 12.206 90; 106.623; 90 | 1481 | Levy, H. A.; Lisensky, G. C. Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction Note: anisoU's from ICSD Acta Crystallographica, Section B, 1978, 34, 3502-3510 |
| 2002922 | CIF Paper | C12 H22 N2 O2 | C 1 2/c 1 | 31.2595; 5.1534; 8.2639 90; 104.189; 90 | 1290.64 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B, 1998, 54, 695-704 |
| 2002932 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 11.397; 8.871; 7.222 90; 95.12; 90 | 727.3 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002933 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 11.554; 8.926; 7.31 90; 96.1; 90 | 749.6 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002936 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 7.2233; 9.0549; 11.57 90; 95.315; 90 | 753.5 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002937 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 7.293; 9.061; 11.618 90; 96.12; 90 | 763.4 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002938 | CIF HKL Paper | C8 H2 Cl2 O3 | C 1 2/c 1 | 11.987; 8.994; 7.423 90; 92.91; 90 | 799.2 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002964 | CIF | Cs3 H3.5 O12 P0.5 S2.5 | C 1 2/c 1 | 19.769; 7.685; 8.858 90; 100.6; 90 | 1322.8 | Haile, S. M.; Klooster, W. T. Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K Acta Crystallographica, Section B: Structural Science, 1999, 55, 285-296 |
| 2002965 | CIF | Cs3 H3.5 O12 P0.5 S2.5 | C 1 2/c 1 | 19.769; 7.685; 8.858 90; 100.6; 90 | 1322.8 | Haile, S. M.; Klooster, W. T. Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K Acta Crystallographica, Section B: Structural Science, 1999, 55, 285-296 |
| 2002977 | CIF HKL Paper | C24 H18 N2 O2 | C 1 2/c 1 | 13.0288; 12.1865; 12.0778 90; 105.199; 90 | 1850.6 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B, 1999, 55, 591-600 |
| 2002979 | CIF HKL Paper | C60 H44 N6 O8 S2 | C 1 2/c 1 | 15.8692; 24.3728; 13.0952 90; 102.362; 90 | 4947.5 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B, 1999, 55, 591-600 |
| 2003016 | CIF Paper | C6 H14 I2 N2 O2 Zn | C 1 2/c 1 | 14.005; 13.697; 15.755 90; 110.88; 90 | 2824 | Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J. A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~ Acta Crystallographica Section B, 1998, 54, 663-670 |
| 2003025 | CIF Paper | Fe H2 O5 Se | C 1 2/c 1 | 7.14; 8.05; 7.84 90; 118.1; 90 | 398 | Aleksovska, S.; Petrusevski, V. M.; Soptrajanov, B. Calculation of Structural Parameters in Isostructural Series: the Kieserite Group Acta Crystallographica Section B, 1998, 54, 564-567 |
| 2003075 | CIF Paper | C40 H42 Ce Mn2 N14 O25 | C 1 2/c 1 | 12.94; 18.06; 22.544 90; 96.29; 90 | 5237 | D. Ramalakshmi; M. V. Rajasekharan Crystallographic disorder in mixed-valent dioxo-bridged Mn^III,IV^ complexes. [Mn~2~O~2~(bpy)~4~][Ce(NO~3~)~6~].5H~2~O Acta Crystallographica Section B, 1999, 55, 186-191 |
| 2003084 | CIF Paper | C38 H18 Cl14 Mo6 O6 | C 1 2/c 1 | 18.205; 13.54; 18.679 90; 97.93; 90 | 4560.3 | Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica, Section B: Structural Science, 1999, 55, 410-423 |
| 2003122 | CIF Paper | As F4 H2 K O2 | C 1 2/c 1 | 4.818; 16.001; 6.374 90; 99.36; 90 | 484.8 | Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J. Structures of Fluoroarsenates KAsF~6<i>n~</i>(OH)~<i>n~</i>, <i>n</i> = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures Acta Crystallographica Section B, 1998, 54, 809-818 |
| 2003129 | CIF HKL Paper | Al Li O6 Si2 | C 1 2/c 1 | 9.462; 8.392; 5.221 90; 110.18; 90 | 389.12 | Kuntzinger, Sandrine; Ghermani, Nour Eddine Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data Acta Crystallographica Section B, 1999, 55, 273-284 |
| 2003130 | CIF HKL Paper | Al Li O6 Si2 | C 1 2/c 1 | 9.456; 8.386; 5.216 90; 110.13; 90 | 388.35 | Kuntzinger, Sandrine; Ghermani, Nour Eddine Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data Acta Crystallographica Section B, 1999, 55, 273-284 |
| 2003165 | CIF HKL Paper | C22 H48 Cl2 N6 O8 Zn | C 1 2/c 1 | 10.191; 17.678; 17.754 90; 99.42; 90 | 3155 | Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M. Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn Acta Crystallographica Section B, 1999, 55, 380-388 |
| 2003166 | CIF HKL Paper | C22 H48 Cl2 N6 Ni O8 | C 1 2/c 1 | 10.177; 17.648; 17.605 90; 99.7; 90 | 3116.7 | Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M. Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn Acta Crystallographica Section B, 1999, 55, 380-388 |
| 2020864 | CIF HKL Paper | C16 H24 Br4 Cu N2 | C 1 2/c 1 | 17.6373; 9.4076; 14.7798 90; 118.396; 90 | 2157.27 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020866 | CIF HKL Paper | C14 H20 Br4 Cu N2 | C 1 2/c 1 | 14.551; 7.8249; 17.0624 90; 97.54; 90 | 1925.93 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020867 | CIF HKL Paper | C14 H20 Br4 Cu N2 | C 1 2/c 1 | 14.6041; 7.9883; 17.1986 90; 97.345; 90 | 1989.96 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020868 | CIF HKL Paper | C14 H20 Cl4 Cu N2 | C 1 2/c 1 | 14.3451; 7.5569; 16.6038 90; 96.309; 90 | 1789.03 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020869 | CIF HKL Paper | C14 H20 Cl4 Cu N2 | C 1 2/c 1 | 14.4831; 7.7267; 16.6432 90; 95.84; 90 | 1852.82 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2021898 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.6578; 8.922; 13.9144 90; 129.181; 90 | 1987.92 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021899 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.6416; 8.9068; 13.9075 90; 129.118; 90 | 1983.77 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021900 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.6339; 8.8975; 13.9054 90; 129.096; 90 | 1981.28 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021901 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.6096; 8.8814; 13.8865 90; 129.047; 90 | 1974.05 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021902 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5877; 8.8673; 13.8912 90; 128.997; 90 | 1970.88 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021903 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5748; 8.853; 13.8869 90; 128.962; 90 | 1966.83 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021904 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5719; 8.8396; 13.9003 90; 128.924; 90 | 1966.53 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021905 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5473; 8.8249; 13.8851 90; 128.914; 90 | 1959.04 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1–x trioxofluorophosphate(2–)1–x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021906 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5418; 8.812; 13.8845 90; 128.89; 90 | 1956.23 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021907 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5237; 8.8033; 13.8813 90; 128.85; 90 | 1953.22 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021908 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5134; 8.7963; 13.8768 90; 128.806; 90 | 1951.27 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021909 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.4891; 8.7848; 13.8632 90; 128.781; 90 | 1945.18 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021910 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5006; 8.7803; 13.8618 90; 128.797; 90 | 1944.64 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021911 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.4756; 8.7798; 13.8428 90; 128.764; 90 | 1940.4 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021912 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.463; 8.7767; 13.8368 90; 128.717; 90 | 1938.95 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021913 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.4273; 8.7714; 13.7988 90; 128.623; 90 | 1931.62 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021919 | CIF | C12 H4 N4 | C 1 2/c 1 | 8.8782; 6.9117; 16.398 90; 98.288; 90 | 995.7 | Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71 |
| 2022898 | CIF HKL Paper | C19 H21 N O8 | C 1 2/c 1 | 28.0626; 9.2719; 14.6075 90; 107.081; 90 | 3633.13 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2023151 | CIF | C11 H8 N3 O5 Zn | C 1 2/c 1 | 35.421; 9.928; 7.1277 90; 95.396; 90 | 2495.4 | Farahmand Kateshali, Arash; Soleimannejad, Janet; Janczak, Jan Ultrasound-assisted synthesis of a Eu3±functionalized ZnII coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of HgII and L-Cys Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 208-218 |
| 2100130 | CIF | C23 H27 N7 O3 | C 1 2/c 1 | 33.9318; 5.025; 30.4072 90; 122.689; 90 | 4363.47 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100153 | CIF HKL Paper | C6 H5 F O | C 1 2/c 1 | 17.1336; 8.2766; 11.4975 90; 100.234; 90 | 1604.5 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100158 | CIF Paper | C20 H16 Cl2 Zr | C 1 2/c 1 | 15.387; 10.512; 11.927 90; 121.85; 90 | 1638.7 | Stash, Adam I.; Tanaka, Kiyoaki; Shiozawa, Kazunari; Makino, Hitoshi; Tsirelson, Vladimir G. Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis Acta Crystallographica Section B, 2005, 61, 418-428 |
| 2100163 | CIF Paper | C3 H4 N2 O2 | C 1 2/c 1 | 9.3538; 12.1757; 7.2286 90; 104.593; 90 | 796.7 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100222 | CIF Paper | C20 H24 O7 | C 1 2/c 1 | 15.3519; 10.4044; 11.8506 90; 109.607; 90 | 1783.11 | Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W. Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography Acta Crystallographica Section B, 2005, 61, 335-345 |
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