Crystallography Open Database
Search results
Result: there are 354 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 journal of publication like 'Crystals'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1508363 | CIF | C94 H88 N24 Ni6 O19 S2 | P b c n | 15.525; 22.703; 31.993 90; 90; 90 | 11276.4 | Zheng, Xiao-Feng; Zhu, Long-Guan An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O Crystals, 2011, 1, 120-127 |
| 1508364 | CIF | C11 H13 N7 | P 1 21/n 1 | 7.3326; 19.4897; 8.6586 90; 106.069; 90 | 1189.06 | Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine [1] Crystals, 2011, 1, 136-144 |
| 1508365 | CIF | C21 H24 N2 O5 | P 21 21 21 | 5.0655; 8.4614; 46.856 90; 90; 90 | 2008.3 | Alfonso, Ignacio; Bolte, Michael; Burguete, M. Isabel; Luis, Santiago V. Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern Crystals, 2011, 1, 163-170 |
| 1508366 | CIF | C15 H12 N2 O2 S | P 1 21 1 | 9.9349; 6.3377; 10.5783 90; 97.752; 90 | 659.97 | Saeed, Aamer; ul Mahmood, Shams; Ishida, H. Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals, 2011, 1, 171-177 |
| 1508367 | CIF | C24 H32 I2 O8 | P -1 | 4.8499; 12.037; 12.804 64.561; 86.815; 83.893 | 671.1 | Walbaum, Christine; Pantenburg, Ingo; Meyer, Gerd Iodine Molecules Included in the Structure of Dibenzo-24-Crown-8, (I2)@(db24c8) Crystals, 2011, 1, 215-219 |
| 1508369 | CIF | C22 H23 N O5 | P 1 21/c 1 | 20.941; 8.7523; 21.2291 90; 93.529; 90 | 3883.5 | Petrov, Anna; Jones, Roderick C.; Vaughan, Douglas G.; Lough, Alan J.; Gossage, Robert A. The Crystal and Molecular Structure of (2Z)-2-[3-(4-Methoxybenzoyl)-4,4-dimethyl-1,2-oxazolidin-2-ylidene]-1-(4-methoxyphenyl)ethanone Crystals, 2011, 1, 229-235 |
| 1508370 | CIF | C5 H19.47 N2 O5.24 P | R -3 :H | 31.075; 31.075; 6.1875 90; 90; 120 | 5174.5 | Harrison, William T. A. Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O Crystals, 2011, 1, 236-243 |
| 1508371 | CIF | C5 H17 N2 O4 P | P 21 21 21 | 8.564; 9.593; 11.607 90; 90; 90 | 953.6 | Harrison, William T. A. Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2 HPO3 H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2 HPO3 2 23H2O Crystals, 2011, 1, 236-243 |
| 1508372 | CIF | C14 H9 F N2 O S | P n a 21 | 22.43; 8.1478; 13.522 90; 90; 90 | 2471.2 | Saeed, Aamer; Flörke, Ulrich Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals, 2011, 1, 254-259 |
| 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 |
| 1508403 | CIF | C25 H17 Mo N5 O3 | P 1 21/n 1 | 11.0965; 13.0586; 16.6135 90; 108.324; 90 | 2285.31 | Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals, 2012, 1, 47-58 |
| 1508404 | CIF | C31 H21 Mo N5 O3 | P 1 21/n 1 | 11.4788; 19.073; 11.9881 90; 95.179; 90 | 2613.9 | Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals, 2012, 1, 47-58 |
| 1508405 | CIF | C24 H19 Mo N5 O3 | P 1 21/n 1 | 8.4222; 21.5966; 12.5011 90; 94.065; 90 | 2268.12 | Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals, 2012, 1, 47-58 |
| 1508406 | CIF | C H2 Ba O5 P | C 1 2/c 1 | 12.3829; 7.9124; 11.0858 90; 114.788; 90 | 986.1 | Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A. Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4 Crystals, 2012, 1, 59-68 |
| 1508407 | CIF | C10 H18 Ba N2 O18 | C 1 2/m 1 | 12.7393; 13.0111; 5.605 90; 104.208; 90 | 900.62 | Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A. Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4 Crystals, 2012, 1, 59-68 |
| 1508408 | CIF | Ba Lu2 S4 | P n m a | 12.1143; 3.9556; 14.2781 90; 90; 90 | 684.2 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
| 1508409 | CIF | Ba Lu2 Se4 | P n m a | 12.6132; 4.1089; 14.8774 90; 90; 90 | 771.04 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
| 1508410 | CIF | Ba Lu2 Te4 | P n m a | 13.5358; 4.3847; 15.9362 90; 90; 90 | 945.82 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
| 1508411 | CIF | As7 Cs2 Na | P 1 21/c 1 | 11.7671; 10.8528; 10.2115 90; 90.213; 90 | 1304.1 | Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals, 2012, 1, 87-98 |
| 1508412 | CIF | As14 Cd Cs4 | P 1 21/c 1 | 10.608; 16.761; 14.363 90; 91.785; 90 | 2552.5 | Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals, 2012, 1, 87-98 |
| 1508413 | CIF | As14 Cs4 Zn | P 1 21/c 1 | 29.067; 10.4714; 43.039 90; 128.092; 90 | 10309.9 | Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals, 2012, 1, 87-98 |
| 1508414 | CIF | Cl6 Mo Na3 | P -3 1 c | 6.8712; 6.8712; 12.2531 90; 90; 120 | 501 | Beran, Martin; Meyer, Gerd Crystal Structure of Na3MoCl6 Crystals, 2012, 1, 99-103 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!