Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1508114 | CIF | C70 H100 Al2 N4 | P 1 21/c 1 | 12.7841; 14.7611; 17.1527 90; 91.847; 90 | 3235.16 | Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry, 2010, 2, 865-869 |
| 1508115 | CIF | C62 H98 Al2 N6 | P 1 21/n 1 | 11.729; 15.039; 17.886 90; 104.89; 90 | 3049 | Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry, 2010, 2, 865-869 |
| 1508117 | CIF | C20 H19 Br O2 | P 1 21/c 1 | 11.98; 6.098; 23.525 90; 93.43; 90 | 1715.5 | Ito, Hajime; Kunii, Shun; Sawamura, Masaya Direct enantio-convergent transformation of racemic substrates without racemization or symmetrization. Nature chemistry, 2010, 2, 972-976 |
| 1508119 | CIF | C192 H96 Cu24 O120 | P -1 | 24.3386; 24.4267; 25.442 112.19; 115.547; 98.071 | 11774 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508120 | CIF | C32 H26 Cu2 N4 O18 | P -1 | 6.5901; 10.8797; 12.487 93.149; 103.646; 94.092 | 865.4 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508121 | CIF | C288 H288 Cu24 O120 | I 4/m m m | 29.296; 29.296; 41.22 90; 90; 90 | 35377 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508122 | CIF | C192 H96 Cu24 O144 | I 4/m | 25.8693; 25.8693; 39.125 90; 90; 90 | 26183 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508123 | CIF | C192 H72 Cu24 O192 S24 | I 4/m | 29.044; 29.044; 41.72 90; 90; 90 | 35193 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508124 | CIF | C168 H120 Cu12 O60 | P -1 | 26.687; 26.714; 28.012 67.565; 69.257; 76.221 | 17139 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508125 | CIF | C288 H216 Cu24 O120 | F d d d :2 | 28.083; 59.645; 82.288 90; 90; 90 | 137833 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508126 | CIF | C192 H98 Cu24 O128 | C 1 2/c 1 | 35.49; 32.46; 35.61 90; 92.42; 90 | 40986 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508127 | CIF | C108 H76 Cu4 N4 O20 | P 1 21/n 1 | 18.0347; 31.135; 27.1691 90; 105.587; 90 | 14694.7 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508128 | CIF | C168 H84 Cu12 N12 O60 | P -1 | 20.014; 20.977; 22.605 117.518; 92.93; 110.47 | 7622 | Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry, 2010, 2, 893-898 |
| 1508129 | CIF | C98 H126 | P -1 | 10.5799; 10.7732; 19.6616 84.7319; 75.3405; 87.4321 | 2158.4 | Chalifoux, Wesley A.; Tykwinski, Rik R. Synthesis of polyynes to model the sp-carbon allotrope carbyne. Nature chemistry, 2010, 2, 967-971 |
| 1508130 | CIF | C70 H98 Si | P -1 | 10.2575; 14.6634; 21.9595 76.52; 89.555; 86.272 | 3205 | Chalifoux, Wesley A.; Tykwinski, Rik R. Synthesis of polyynes to model the sp-carbon allotrope carbyne. Nature chemistry, 2010, 2, 967-971 |
| 1508131 | CIF | C480 H192 Cu24 O120 | F m -3 m | 59.872; 59.872; 59.872 90; 90; 90 | 214621 | Farha, Omar K.; Yazaydın, A Özgür; Eryazici, Ibrahim; Malliakas, Christos D.; Hauser, Brad G.; Kanatzidis, Mercouri G.; Nguyen, SonBinh T; Snurr, Randall Q.; Hupp, Joseph T. De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities. Nature chemistry, 2010, 2, 944-948 |
| 1508132 | CIF | C34 H33 B Te | P 1 21/c 1 | 15.3549; 12.2755; 17.3029 90; 123.819; 90 | 2709.6 | Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry, 2010, 2, 984-990 |
| 1508133 | CIF | C35 H36 B F Te | P 1 21/n 1 | 9.0099; 24.019; 13.208 90; 93.774; 90 | 2852.1 | Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry, 2010, 2, 984-990 |
| 1508134 | CIF | C36 H36 B F3 O3 S Te | P 1 21/c 1 | 8.4011; 18.828; 21.449 90; 97.903; 90 | 3360.5 | Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry, 2010, 2, 984-990 |
| 1508136 | CIF | C34 H33 B S | P 1 21/n 1 | 15.337; 12.0381; 15.458 90; 111.115; 90 | 2662.4 | Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry, 2010, 2, 984-990 |
| 1508138 | CIF | C35 H36 B F S | P 1 21/n 1 | 10.757; 8.8417; 30.186 90; 94.8; 90 | 2860.9 | Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry, 2010, 2, 984-990 |
| 1508139 | CIF | C36 H36 B F3 O3 S2 | P -1 | 8.632; 10.482; 18.755 90.939; 102.507; 100.441 | 1626.5 | Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry, 2010, 2, 984-990 |
| 1508140 | CIF | C17 H25 N O2 | P 1 21 1 | 10.2338; 6.605; 11.9985 90; 94.388; 90 | 808.65 | Denmark, Scott E.; Wilson, Tyler W. N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis. Nature chemistry, 2010, 2, 937-943 |
| 1508141 | CIF | C72 H82 Au2 Cl2 O4 P2 | I 1 2/a 1 | 19.59; 22.495; 20.59 90; 105.26; 90 | 8754 | de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. Nature chemistry, 2010, 2, 1062-1068 |
| 1508142 | CIF | C76 H90 Au2 Cl2 O4 P2 | P 1 21/c 1 | 14.6239; 25.8803; 21.5065 90; 108.762; 90 | 7707.1 | de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. Nature chemistry, 2010, 2, 1062-1068 |
| 1508143 | CIF | C66 H85 Au Cl O4 P | P 1 21/c 1 | 19.695; 14.974; 20.876 90; 96.29; 90 | 6120 | de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. Nature chemistry, 2010, 2, 1062-1068 |
| 1508144 | CIF | C76 H90 O4 P2 | P -1 | 13.9923; 15.1673; 17.3281 83.207; 81.568; 63.915 | 3261.2 | de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. Nature chemistry, 2010, 2, 1062-1068 |
| 1508148 | CIF | C70 H97 Li N8 O9 U | P -1 | 12.9187; 16.9057; 17.0274 107.186; 96.271; 106.235 | 3335.6 | Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B. Uranyl oxo activation and functionalization by metal cation coordination. Nature chemistry, 2010, 2, 1056-1061 |
| 1508149 | CIF | C87 H86 Li2 N17 O2 U | C 1 c 1 | 14.0928; 24.2786; 22.7601 90; 90.769; 90 | 7786.7 | Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B. Uranyl oxo activation and functionalization by metal cation coordination. Nature chemistry, 2010, 2, 1056-1061 |
| 1508150 | CIF | C92 H90 Li3 N18 O2 U | P -1 | 15.0681; 15.9581; 19.1549 94.953; 90.628; 114.436 | 4172.18 | Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B. Uranyl oxo activation and functionalization by metal cation coordination. Nature chemistry, 2010, 2, 1056-1061 |
| 1508151 | CIF | C76 H114 Li4 N9 O9 Si2 U | P -1 | 12.2088; 16.2176; 20.9697 75.391; 86.593; 80.083 | 3957.1 | Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B. Uranyl oxo activation and functionalization by metal cation coordination. Nature chemistry, 2010, 2, 1056-1061 |
| 1508373 | CIF | C8 H15 N11 O8 | P -1 | 6.7224; 10.7473; 11.9604 113.212; 90.579; 99.815 | 779.68 | Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T. Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3] Crystals, 2012, 2, 34-42 |
| 1508374 | CIF | C15 H28 N2 O4 | P 1 21/c 1 | 8.4007; 16.4716; 12.4876 90; 90.948; 90 | 1727.71 | Mamat, Constantin; Flemming, Anke; Köckerling, Martin Synthesis and Molecular Structure of tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperazine-1-carboxylate Crystals, 2012, 2, 90-95 |
| 1508375 | CIF | C19 H26 O8 S | P 21 21 21 | 9.7945; 10.1945; 21.306 90; 90; 90 | 2127.4 | Mamat, Constantin; Peppel, Tim; Köckerling, Martin The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose Crystals, 2012, 2, 105-109 |
| 1508376 | CIF | C10 H24 Cl5 Fe N2 O4 | P b c m | 6.2717; 12.841; 25.693 90; 90; 90 | 2069.2 | Bäcker, Tobias; Mudring, Anja-Verena Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept Crystals, 2012, 2, 110-117 |
| 1508377 | CIF | C6 H10 B F4 N5 O2 S | F d d 2 | 24.375; 30.163; 13.653 90; 90; 90 | 10038 | Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent Crystals, 2012, 2, 118-126 |
| 1508378 | CIF | C5 H7 N5 O2 S | P 1 21/c 1 | 8.0815; 10.0732; 10.7291 90; 100.383; 90 | 859.12 | Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent Crystals, 2012, 2, 118-126 |
| 1508379 | CIF | C15 H13 N3 O3 | P -1 | 6.8994; 9.8052; 11.1525 71.729; 79.436; 74.349 | 685.83 | Mamat, Constantin; Köckerling, Martin The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl)-4-nitro-2H-indazole Crystals, 2012, 2, 176-181 |
| 1508380 | CIF | C54 H44 N2 O6 P2 S2 | P -1 | 9.859; 13.683; 9.664 105.04; 93.651; 110.735 | 1159.9 | Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S. A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine Crystals, 2012, 2, 182-192 |
| 1508381 | CIF | C46 H42 N2 O9 S34 | P -1 | 6.742; 15.518; 18.034 74.29; 82.16; 80.36 | 1782.4 | Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S. A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine Crystals, 2012, 2, 182-192 |
| 1508382 | CIF | C20 H16 Br0.79 Cl1.21 Cu S16 | P 1 2/c 1 | 7.8124; 6.6564; 30.444 90; 96.062; 90 | 1574.3 | Kubo, Kazuya; Yamashita, Masahiro New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6 Crystals, 2012, 2, 284-293 |
| 1508383 | CIF | C35 H27 Cl2 N3 S12 Zn | C 1 2/c 1 | 11.8152; 10.1; 35.579 90; 98.111; 90 | 4203.3 | Nita, Gabriela; Branzea, Diana; Pop, Flavia; El-Ghayoury, Abdelkrim; Avarvari, Narcis Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies Crystals, 2012, 2, 338-348 |
| 1508384 | CIF | C20 H20 B0.5 N O | C 1 2/c 1 | 21.4373; 6.1623; 23.2775 90; 97.597; 90 | 3048 | Bag, Pradip; Itkis, Mikhail E.; Pal, Sushanta K.; Bekyarova, Elena; Donnadieu, Bruno; Haddon, Robert C. Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor Crystals, 2012, 2, 446-465 |
| 1508385 | CIF | C11 H14 O4 | P -1 | 8.5518; 10.8826; 11.9939 101.273; 98.287; 94.092 | 1077.54 | Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M. Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis Crystals, 2012, 2, 521-527 |
| 1508386 | CIF | C H8 Br N5 O3 | P 1 21/c 1 | 8.0261; 12.7412; 7.9296 90; 118.051; 90 | 715.64 | Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M. Inorganic Amino-Nitro-Guanidinium (ANQ) Derivatives Crystals, 2012, 2, 675-689 |
| 1508387 | CIF | Lu20 Ru11 | R -3 :H | 12.5514; 12.5514; 29.73 90; 90; 120 | 4056.1 | Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms Crystals, 2012, 2, 704-709 |
| 1508388 | CIF | C76 H56 Co2 K N20 O4 | P 42/n :2 | 21.37; 21.37; 7.4607 90; 90; 90 | 3407.1 | Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K) Crystals, 2012, 2, 946-957 |
| 1508389 | CIF | C76 H56 Co2 N20 Na O4 | P 42/n :2 | 21.163; 21.163; 7.414 90; 90; 90 | 3320.5 | Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K) Crystals, 2012, 2, 946-957 |
| 1508390 | CIF | C2 H4 Cu N8 O2 | P -1 | 7.4137; 7.489; 7.5391 118.928; 109.295; 92.47 | 335.18 | Joas, Manuel; Klapοtke, Thomas M.; Stierstorfer, Jοrg Preparation and Crystal Structure of Diaqua(?-5,5'-bistetrazolato-?4N1,N2,N5,N6)copper(II) Crystals, 2012, 2, 958-966 |
| 1508391 | CIF | C18 H13 Cl N2 O4 | P 21 21 21 | 6.6491; 7.9627; 30.621 90; 90; 90 | 1621.2 | Khan, Imtiaz; White, Jonathan M. Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate Crystals, 2012, 2, 967-973 |
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