Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
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 |
1508392 | CIF | C5 H19 N2 O13 P3 Zn3 | P 1 21/c 1 | 11.3275; 8.3235; 18.588 90; 96.979; 90 | 1739.6 | Harrison, William T.A.; Currie, William R. 1,5-Diaminopentane As A Structure-Directing Agent for Zincophosphate Networks: Zn3(PO4)2(C5H14N2)2·3H2O and C5H16N2·Zn3(PO4)2(HPO4)·H2O Crystals, 2012, 2, 974-983 |
1508393 | CIF | C18 H18 N4 O3 | P 1 21 1 | 9.8152; 9.6305; 9.8465 90; 116.785; 90 | 830.88 | Lοser, Reik; Nieger, Martin; Gυtschow, Michael Synthesis and Crystal Structure of Benzyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate Crystals, 2012, 2, 1201-1209 |
1508394 | CIF | C26 H24 O5 | C 1 2/c 1 | 25.4114; 8.4744; 20.6921 90; 108.328; 90 | 4229.93 | Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, Hemmige S.; Mayekar, Anil N.; Narayana, Badiadka Crystal and Molecular Structure Studies of Ethyl 4-(4-Hydroxyphenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate and Ethyl 4-(3-Bromophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate Crystals, 2012, 2, 1239-1247 |
1508395 | CIF | C11 H10 N2 O3 | P 1 21/c 1 | 9.5408; 9.5827; 11.58 90; 105.838; 90 | 1018.5 | Saeed, Aamer; Arshad, Ifzan; Florke, Ulrich One-Pot Synthesis and Crystal Structure of Methyl 5-Hydroxy-1-phenyl-1H-pyrazole-3-carboxylate Crystals, 2012, 2, 1248-1252 |
1508396 | CIF | C20 H44 B4 Cu2 F16 N8 O4 | P -1 | 9.455; 12.0445; 16.493 87.469; 83.061; 75.465 | 1804.6 | Olguin, Juan; Bernes, Sylvain; Gasque, Laura Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template Crystals, 2012, 2, 1357-1365 |
1508397 | CIF | C20 H44 B2 Cu2 F10 N8 O4 | P 1 21/c 1 | 10.4816; 7.0223; 22.732 90; 95.913; 90 | 1664.3 | Olguin, Juan; Bernes, Sylvain; Gasque, Laura Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template Crystals, 2012, 2, 1357-1365 |
1508398 | CIF | C5 H12 Br3 Cu2 N | P -1 | 6.2948; 8.2624; 10.7612 75.964; 89.232; 84.072 | 540.04 | Komm, Theresa; Biner, Daniel; Neels, Antonia; Kramer, Karl W. (C5H12N)Cu2Br3: A Piperidinium Copper(I) Bromide with [Cu2Br3]? Ladders Crystals, 2012, 2, 1434-1440 |
1508399 | CIF | C56 H102.5 O50.75 | P 1 | 15.4039; 15.2813; 17.8904 99.662; 113.423; 102.481 | 3618.4 | Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin Crystals, 2012, 2, 1441-1454 |
1508400 | CIF | C14 H14 O4 | P 21 21 21 | 6.8921; 11.4302; 44.964 90; 90; 90 | 3542.2 | Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin Crystals, 2012, 2, 1441-1454 |
1508401 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 10.7572; 9.7154; 20.5873 90; 90.003; 90 | 2151.59 | Laus, Gerhard; Kahlenberg, Volker; Richter, Frank; Nerdinger, Sven; Schottenberger, Herwig Improved Synthesis and Crystal Structure of Dalcetrapib Crystals, 2012, 2, 1455-1459 |
1508423 | CIF | C14 H27.91 B18 Cl2.09 Co S8 | P -1 | 8.8565; 13.349; 14.654 106.617; 102.684; 98.963 | 1574.7 | Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals, 2012, 2, 43-55 |
1508424 | CIF | C14 H27.75 B18 Br0.75 Cl1.25 Co S8 | P -1 | 8.7106; 13.441; 14.742 106.991; 101.784; 99.504 | 1568.6 | Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals, 2012, 2, 43-55 |
1508425 | CIF | C36 H36.84 B18 Br1.16 Co O0.72 S32 | P -1 | 10.809; 16.187; 20.412 100.22; 100.43; 107.21 | 3252.1 | Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals, 2012, 2, 43-55 |
1508426 | CIF | C8 H18 N12 | P -1 | 8.7982; 8.8927; 9.7756 67.827; 86.181; 71.794 | 671.68 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
1508427 | CIF | C7 H15 N7 | P b c a | 5.9696; 16.7493; 19.0799 90; 90; 90 | 1907.73 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
1508428 | CIF | C20 H58 N16 O8 | P 1 21/c 1 | 12.6856; 8.82; 31.3885 90; 99.39; 90 | 3464.91 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
1508429 | CIF | C7 H17 N7 O | P 1 21/c 1 | 8.8064; 11.1285; 10.5456 90; 102.894; 90 | 1007.43 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
1508430 | CIF | C H3 Ag N6 | C 1 2/c 1 | 18.0338; 3.601; 14.906 90; 91.94; 90 | 967.4 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals, 2012, 2, 127-136 |
1508431 | CIF | C4 H9 N5 S | P -1 | 5.9032; 7.4591; 9.2538 113.598; 98.37; 99.017 | 358.88 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals, 2012, 2, 127-136 |
1508432 | CIF | C5 H12 N5 P | P 1 21/c 1 | 5.9035; 13.388; 11.3173 90; 93.941; 90 | 892.4 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals, 2012, 2, 127-136 |
1508433 | CIF | C4 H9 N5 O S | P 1 21/n 1 | 5.2452; 14.029; 10.7735 90; 102.036; 90 | 775.34 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals, 2012, 2, 127-136 |
1508434 | CIF | C6 H14 N6 O | P -1 | 5.49; 8.4206; 10.3003 78.564; 85.796; 81.876 | 461.53 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals, 2012, 2, 127-136 |
1508442 | CIF | As6 Ga Na10 Nb | P 1 21/n 1 | 8.3243; 7.5173; 13.5465 90; 90.908; 90 | 847.58 | He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals, 2012, 2, 213-223 |
1508443 | CIF | As6 Ga3 Na8 Rb | P n m a | 22.843; 4.7892; 16.861 90; 90; 90 | 1844.6 | He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals, 2012, 2, 213-223 |
1508444 | CIF | Ga3 Na8 P6 Rb | P n m a | 22.276; 4.6947; 16.356 90; 90; 90 | 1710.5 | He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals, 2012, 2, 213-223 |
1508445 | CIF | C27 H20 N3 O0.5 S16 | C 1 2/c 1 | 15.7423; 13.2947; 33.81 90; 96.701; 90 | 7027.7 | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals, 2012, 2, 306-326 |
1508446 | CIF | C25 H18 N3 O S16 | C 1 2/c 1 | 15.5152; 13.2644; 33.673 90; 97.443; 90 | 6871.5 | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals, 2012, 2, 306-326 |
1508447 | CIF | C29 H21 N4 O2 S16 | P -1 | 17.3403; 20.1481; 23.9412 84.225; 69.596; 76.254 | 7613.6 | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals, 2012, 2, 306-326 |
1508448 | CIF | C29 H21 N4 O2 S16 | P -1 | 10.2496; 11.2314; 18.0649 96.525; 90.593; 115.397 | 1862.4 | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals, 2012, 2, 306-326 |
1508449 | CIF | C31 H24.5 Cl1.5 N4 O2 S16 | P -1 | 7.6688; 12.6432; 22.6204 98.43; 98.463; 106.246 | 2041.6 | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals, 2012, 2, 306-326 |
1508450 | CIF | C16 H5 Cl2 I N2 O2 S6 | P -1 | 7.0227; 12.676; 13.1732 62.169; 76.282; 78.615 | 1002.31 | Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs Crystals, 2012, 2, 327-337 |
1508451 | CIF | C26 H11 Cl2 I4 N3 O2 S12 | P -1 | 7.4173; 12.9354; 21.258 79.6; 85.564; 75.854 | 1944.1 | Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs Crystals, 2012, 2, 327-337 |
1508452 | CIF | C84 H152 N4 O32 W10 | P -1 | 10.7727; 11.3734; 23.982 98.566; 95.298; 116.168 | 2566.1 | Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid Crystals, 2012, 2, 362-373 |
1508453 | CIF | C16 H10 Au N4 S6 Se2 | P n m a | 42.054; 12.3735; 4.276 90; 90; 90 | 2225 | Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals, 2012, 2, 393-412 |
1508454 | CIF | C12 H11 O4.5 Re S6 Se2 | P -1 | 8.532; 9.75; 13.597 94.949; 94.723; 93.783 | 1120 | Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals, 2012, 2, 393-412 |
1508455 | CIF | C25 H22 Cl I6 S12 Se4 | P -1 | 7.893; 8.594; 34.646 89.481; 84.178; 77.788 | 2284.9 | Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals, 2012, 2, 393-412 |
1508456 | CIF | C14 H12 I3 S6 Se2 | P -1 | 8.443; 8.859; 16.686 84.118; 89.712; 68.365 | 1153.3 | Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals, 2012, 2, 393-412 |
1508457 | CIF | C30 H24 Cl5 N O Os S24 | P -1 | 7.6672; 9.8657; 17.9733 91.151; 93.636; 102.434 | 1324.2 | Zorina, Leokadiya; Simonov, Sergey; Canadell, Enric; Shibaeva, Rimma Single-Crystal-to-Single-Crystal Transformation from delta-(BEDT-TTF)4[OsNOCl5]1.33(C6H5NO2)0.67 to beta''"-(BEDT-TTF)3[OsNOCl5] Crystals, 2012, 2, 627-642 |
1508458 | CIF | C36 H42 N6 O8 | P 1 21/n 1 | 9.143; 19.352; 10.894 90; 106.286; 90 | 1850.2 | Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals, 2012, 2, 662-668 |
1508459 | CIF | C36 H44 Cl4 N6 O8 | P 1 21/n 1 | 12.89; 9.7; 16.89 90; 102.92; 90 | 2058.3 | Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals, 2012, 2, 662-668 |
1508460 | CIF | C40 H42 N6 O8 | P 1 21/c 1 | 12; 6.72; 24.4 90; 92.21; 90 | 1966.2 | Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals, 2012, 2, 662-668 |
1508461 | CIF | C8 H7 N O5 | P -1 | 7.2831; 10.522; 11.41 83.38; 80.83; 82.02 | 851 | Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate Crystals, 2012, 2, 669-674 |
1508462 | CIF | C16 H12 Pd2 S20 Sb | C 1 2/c 1 | 14.325; 6.403; 36.893 90; 97.543; 90 | 3355 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508463 | CIF | C16 H12 P Pd2 S20 | C 1 2/c 1 | 14.379; 6.3539; 36.496 90; 98.07; 90 | 3301.4 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508464 | CIF | C16 H12 As Pd2 S20 | C 1 2/c 1 | 14.383; 6.3691; 36.672 90; 97.793; 90 | 3328.4 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508465 | CIF | C17 H14 Pd2 S20 Sb | C 1 2/c 1 | 14.503; 6.3989; 37.244 90; 97.352; 90 | 3427.9 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508466 | CIF | C17 H14 P Pd2 S20 | C 1 2/c 1 | 14.437; 6.3614; 37.243 90; 96.938; 90 | 3395.3 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508467 | CIF | C17 H14 As Pd2 S20 | C 1 2/c 1 | 14.448; 6.3715; 37.282 90; 96.973; 90 | 3406.6 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508468 | CIF | C18 H16 Pd2 S20 Sb | C 1 2/c 1 | 14.628; 6.4235; 37.577 90; 97.577; 90 | 3500 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508469 | CIF | C18 H16 P Pd2 S20 | C 1 2/c 1 | 14.473; 6.3918; 37.859 90; 96.009; 90 | 3483 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508470 | CIF | C18 H16 As Pd2 S20 | C 1 2/c 1 | 14.495; 6.4; 37.816 90; 96.388; 90 | 3486.3 | Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals, 2012, 2, 861-874 |
1508471 | CIF | C8 H10 Br3 F6 N2 P | P 1 21/n 1 | 7.5434; 15.5493; 12.7552 90; 90.198; 90 | 1496.11 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508472 | CIF | C7 H8 B Br3 F4 N2 | I 41/a :2 | 23.6138; 23.6138; 18.8371 90; 90; 90 | 10503.8 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508473 | CIF | C6 H3 Br3 N2 | P b c 21 | 7.1109; 7.8014; 15.6397 90; 90; 90 | 867.61 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508474 | CIF | C8 H8 Br3 F6 N2 P | P -1 | 8.2368; 13.4522; 13.6605 92.476; 100.965; 92.884 | 1481.96 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508475 | CIF | C7 H6 B Br3 F4 N2 | I 41/a :2 | 23.4674; 23.4674; 18.6531 90; 90; 90 | 10272.6 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508476 | CIF | C9 H6 Br3 F6 N3 O4 S2 | P -1 | 7.5438; 8.6311; 15.9716 75.02; 87.083; 66.58 | 920.25 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508477 | CIF | C8 H8 Br5 F6 N2 P | P -1 | 7.6729; 7.8858; 15.8383 90.001; 88.104; 62.169 | 846.88 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508478 | CIF | C8 H8 Br6 N2 | P -1 | 7.32; 11.5867; 18.1972 87.611; 81.121; 86.375 | 1521 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508479 | CIF | C15 H15 N O S | P n a 21 | 9.208; 14.0485; 10.3826 90; 90; 90 | 1343.08 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
1508480 | CIF | C13 H12 Cl N O S | P 1 21/c 1 | 10.6092; 10.8355; 11.1346 90; 98.643; 90 | 1265.45 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
1508481 | CIF | C13 H12 Cl N O S | P 1 21/c 1 | 10.3738; 10.8501; 11.8301 90; 98.615; 90 | 1316.53 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
1508482 | CIF | C14 H10 O S4 Se4 | P 1 21/n 1 | 5.2296; 11.006; 31.718 90; 93.903; 90 | 1821.4 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
1508483 | CIF | C17 H12.5 Cl0.5 F6 O P S4 Se4 | P -1 | 7.917; 10.582; 15.979 76.666; 89.916; 89.124 | 1302.4 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
1508484 | CIF | C40 H30 Cl2 F12 P2 S10 Se8 | P -1 | 12.666; 14.299; 16.289 85.39; 88.219; 79.788 | 2893.6 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
1508485 | CIF | C16 H13 F2 N3 O | C 1 2/c 1 | 17.6219; 10.8735; 15.3216 90; 102.864; 90 | 2862.11 | Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S. Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Crystals, 2012, 2, 1108-1115 |
1508486 | CIF | C16 H13 F2 N3 S | P 1 21/c 1 | 14.339; 11.1478; 9.541 90; 107.007; 90 | 1458.4 | Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S. Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Crystals, 2012, 2, 1108-1115 |
1508487 | CIF | Ce10 O Se14 | I 41/a c d :2 | 15.7896; 15.7896; 20.8659 90; 90; 90 | 5202.1 | Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals, 2012, 2, 1136-1145 |
1508488 | CIF | La10 O Se14 | I 41/a c d :2 | 15.9204; 15.9204; 21.0648 90; 90; 90 | 5339.1 | Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals, 2012, 2, 1136-1145 |
1508489 | CIF | Nd10 O Se14 | I 41/a c d :2 | 15.5983; 15.5983; 20.6291 90; 90; 90 | 5019.2 | Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals, 2012, 2, 1136-1145 |
1508490 | CIF | O Pr10 Se14 | I 41/a c d :2 | 15.6874; 15.6874; 20.7342 90; 90; 90 | 5102.6 | Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals, 2012, 2, 1136-1145 |
1508491 | CIF | C12 H10 Au0.94 Cl1.88 N2 S6 | I -4 2 d | 7.3259; 7.3259; 67.5487 90; 90; 90 | 3625.26 | Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C. Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9) Crystals, 2012, 2, 1283-1290 |
1508492 | CIF | C12 H10 Au0.94 Cl1.88 N2 S6 | I -4 2 d | 7.3066; 7.3066; 67.3719 90; 90; 90 | 3596.74 | Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C. Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9) Crystals, 2012, 2, 1283-1290 |
1508493 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.6941; 10.7909; 8.6586 90; 102.184; 90 | 1433.33 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
1508494 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.5187; 10.9358; 8.8141 90; 101.245; 90 | 1467.12 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
1508495 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.1766; 11.2809; 8.9334 90; 98.726; 90 | 1511.7 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
1508496 | CIF | C3 H4 N2 O | P 21 21 21 | 5.1024; 8.2922; 9.3064 90; 90; 90 | 393.75 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
1508497 | CIF | C3 H5 Cl N2 O | P 1 21/n 1 | 4.2693; 10.7541; 10.9756 90; 93.535; 90 | 502.96 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
1508498 | CIF | C3 H5 Br N2 O | P 1 21/n 1 | 4.4182; 11.0416; 11.2015 90; 94.081; 90 | 545.07 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
1508499 | CIF | C6 H10 N4 O6 S | P -1 | 6.5611; 7.7322; 12.1134 97.82; 91.912; 113.295 | 556.62 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
1508500 | CIF | C3 H5 N3 O4 | C 1 c 1 | 3.6216; 17.385; 9.0259 90; 90.499; 90 | 568.26 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
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