Crystallography Open Database
Search results
Result: there are 1293 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'P 1 2/n 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1001851 | CIF | H4 N4 S28 | P 1 2/n 1 | 8.44; 13.034; 8.203 90; 112.49; 90 | 833.8 | Fernandez, H G; Gasperin, M; Freymann, R Cristallochimie - etude structurale, chimique et par spectrographie infrarouge du complexe par transfert de charge (S8)3 (S4 (N H)4) Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1981, 292, 1393-1396 |
| 1007085 | CIF | Ba2 O30 P10 Zn3 | P 1 2/n 1 | 21.738; 5.356; 10.748 90; 99.65; 90 | 1233.7 | Bagieu-Beucher, M; Durif, A; Guitel, J C Ba~2~ Zn~3~ P~10~ O~30~, the first example of a Decametaphosphate Ring Journal of Solid State Chemistry, 1981, 40, 248-248 |
| 1007089 | CIF | Ba2 O30 P10 Zn3 | P 1 2/n 1 | 21.738; 5.356; 10.748 90; 99.65; 90 | 1233.7 | Bagieu-Beucher, M; Durif, A; Guitel, J C Crystal Structure of a Barium-Zinc Decametaphosphate Ba~2~ Zn~3~ P~10~ O~30~ Journal of Solid State Chemistry, 1982, 45, 159-163 |
| 1100343 | CIF | C31 H42 B N O8 | P 1 2/n 1 | 15.359; 9.994; 20.678 90; 105.55; 90 | 3057.85 | Reetz, Manfred T.; Niemeyer, Christof M.; Harms, Klaus Heterotopic Host Molecules for Binding Two Different Guests Angewandte Chemie, International Edition in English, 1991, 30, 1474-1476 |
| 1100374 | CIF | C25 H25 Fe P5 | P 1 2/n 1 | 16.01; 9.727; 16.193 90; 102.11; 90 | 2465.61 | Elschenbroich, Christoph; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Wocadlo, Sigrid; Pebler, Juergen Pentakis(η^1^-phosphinine)iron: Synthesis, Structure, and Mode of Formation Journal of the American Chemical Society, 1994, 116, 6217-6219 |
| 1100497 | CIF | C56 H40 Br5 P | P 1 2/n 1 | 15.383; 8.53; 18.636 90; 95.24; 90 | 2435.14 | Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~] Chemische Berichte, 1996, 129, 115-120 |
| 1100700 | CIF | C12 H12 Ag F6 N2 P S | P 1 2/n 1 | 13.657; 8.278; 14.071 90; 103.063; 90 | 1549.7 | Caradoc-Davies, Paula L.; Hanton, Lyall R.; Lee, Kitty Extension of a π-stacked N~2~S ligand to form bi- and tri-nuclear silver(I) complexes Chemical Communications (Cambridge, United Kingdom), 2000, 783-784 |
| 1100777 | CIF | Na2 O8 S2 Zn | P 1 2/n 1 | 8.648; 10.323; 15.103 90; 90.879; 90 | 1348.1 | Rolf W. Berg; Niels Thorup The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction Inorganic Chemistry, 2005, 44, 3485-3493 |
| 1500015 | CIF | C17 H14 Cu N8 O7 | P 1 2/n 1 | 14.8687; 7.347; 18.2668 90; 95.563; 90 | 1986.1 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron, 2008, 27, 2779-2784 |
| 1502263 | CIF | C46 H34 O2 | P 1 2/n 1 | 12.969; 8.948; 15.068 90; 93.586; 90 | 1745.2 | Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones. Organic letters, 2011, 13, 3608-3611 |
| 1502841 | CIF | C118 H179 N15 O12 P2 | P 1 2/n 1 | 18.2601; 12.6607; 24.7388 90; 93.657; 90 | 5707.6 | Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz 7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol. Organic letters, 2010, 12, 1076-1078 |
| 1504990 | CIF | C16 H22 O2 | P 1 2/n 1 | 17.2971; 10.1245; 17.4254 90; 92.827; 90 | 3047.9 | Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J. Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers. Organic letters, 2008, 10, 5621-5624 |
| 1506930 | CIF | C60 H54 F12 N10 O4 P2 Ru2 | P 1 2/n 1 | 11.413; 12.631; 22.655 90; 95.192; 90 | 3252.5 | Rastegar, Majid F.; Todd, Erin K.; Tang, Hongding; Wang, Zhi Yuan A new class of near-infrared electrochromic oxamide-based dinuclear ruthenium complexes. Organic letters, 2004, 6, 4519-4522 |
| 1507968 | CIF | C41 H32 B2 Cl2 F16 P2 Pt S2 | P 1 2/n 1 | 10.9643; 14.7439; 13.67 90; 96.109; 90 | 2197.3 | Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry, 2011, 3, 590-596 |
| 1508108 | CIF | C46 H60 Mg2 N4 | P 1 2/n 1 | 13.475; 8.2292; 19.771 90; 101.7; 90 | 2146.8 | 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 |
| 1510564 | CIF | Au5 F21 Y2 | P 1 2/n 1 | 11.889; 7.974; 8.957 90; 89.18; 90 | 849.062 | Mueller, B.G.; Fitz, H. Synthese und Struktur neuer Tetrafluroaurate(III), Tl F2 (Au F4), M2 F (Au F4)5 (M = Bi, La, Y) und Sm (Au F4)3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 126-132 |
| 1511855 | CIF | C40 H54 | P 1 2/n 1 | 9.87; 9.2819; 18.478 90; 93.06; 90 | 1690.4 | Wei, Junnian; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng Construction of octaalkyl-substituted and decasubstituted all-cis-octatetraenes via linear dimerization of 1,4-dicopper-1,3-butadienes and subsequent cross-coupling with halides. Organic letters, 2013, 15, 1222-1225 |
| 1512154 | CIF | C77 H75 Cl9 O16 | P 1 2/n 1 | 21.7937; 7.7597; 45.2891 90; 103.665; 90 | 7442.2 | Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford Bioactive Compounds from the Roots of Strophioblachia fimbricalyx. Journal of natural products, 2013, 76, 1358-1364 |
| 1512624 | CIF | C48 H52 Cu4 N12 O16 | P 1 2/n 1 | 19.3907; 13.5643; 21.5049 90; 114.12; 90 | 5162.4 | Malinkin, Sergej; Penkova, Larysa; Moroz, Yurii; Maciag, Anna; Haukka, Matti; Szebesczyk, Agnieszka; Kozlowski, Henryk; Gumienna-Kontecka, Elzbieta; Pavlenko, Vadim; Meyer, Franc; Nordlander, Ebbe; Fritsky, Igor Novel pyrazolate-based copper(II) [2x2] grid complexes: Synthesis, structure and properties Inorganica Chimica Acta, 2012, 392, 322-330 |
| 1513090 | CIF | C72 Er F60 N3 O6 P6 | P 1 2/n 1 | 12.3554; 13.8738; 23.392 90; 90.974; 90 | 4009.2 | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C, 2013, 117, 23970 |
| 1513785 | CIF | C21 H22 N2 O2 | P 1 2/n 1 | 8.3047; 7.7059; 25.706 90; 98.62; 90 | 1626.5 | Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki Biogenetically inspired synthesis and skeletal diversification of indole alkaloids. Nature chemistry, 2014, 6, 57-64 |
| 1514589 | CIF | C45 H59 Au B F4 N2 P | P 1 2/n 1 | 11.8034; 8.9229; 50.327 90; 92.992; 90 | 5293.2 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
| 1514765 | CIF | C200 H256 Si8 | P 1 2/n 1 | 16.179; 17.461; 32.012 90; 95.835; 90 | 8997 | Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki Bottom-up synthesis and structures of π-lengthened tubular macrocycles Chemical Science, 2013, 4, 3179 |
| 1515097 | CIF | C136 H104 Ag4 F12 N16 O12 S4 | P 1 2/n 1 | 17.1508; 16.7972; 24.955 90; 106.286; 90 | 6900.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515704 | CIF | C27 H23 Ag N4 O2 | P 1 2/n 1 | 15.3823; 7.83949; 19.8044 90; 96.7996; 90 | 2371.4 | Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science, 2011, 3, 74-88 |
| 1515953 | CIF | C31 H30 O | P 1 2/n 1 | 8.1279; 6.3065; 22.035 90; 97.416; 90 | 1120 | Hoijemberg, Pablo Ariel; Karlen, Steven D.; Sanramé, Carlos Norberto; Aramendía, Pedro Francisco; García-Garibay, Miguel Angel Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2009, 8, 961-969 |
| 1516236 | CIF | C49 H36 O5 | P 1 2/n 1 | 9.772; 12.0351; 17.3162 90; 93.947; 90 | 2031.68 | Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K. Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones. Organic letters, 2014, 16, 3068-3071 |
| 1516466 | CIF | C134 H142 Cl20 N68 O89 Zn4 | P 1 2/n 1 | 23.2417; 17.5255; 30.5983 90; 108.234; 90 | 11837.5 | Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains Polymer Chemistry, 2014, 5, 5211-5217 |
| 1516656 | CIF | C40 H26 N4 O2 | P 1 2/n 1 | 14.9947; 7.2016; 15.2457 90; 113.94; 90 | 1504.69 | Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes. Organic letters, 2007, 9, 235-238 |
| 1518316 | CIF | C56 H66 Cd2 N8 O11 | P 1 2/n 1 | 15.69; 9.0941; 21.264 90; 101.23; 90 | 2976 | Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand Inorganica Chimica Acta, 2015, 425, 17-27 |
| 1518366 | CIF | C74 H77 Cl4 Cs N4 O7 | P 1 2/n 1 | 28.4416; 17.3237; 28.5922 90; 90.135; 90 | 14087.7 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518504 | CIF | C19 H20 N2 Se | P 1 2/n 1 | 8.3318; 7.4265; 13.6459 90; 98.798; 90 | 834.42 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1519432 | CIF | C394 H336 Cl20 N62 O76 Zn10 | P 1 2/n 1 | 21.4479; 30.381; 34.189 90; 97.46; 90 | 22089 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
| 1519435 | CIF | C390 H330 Br Cl19 N60 O76 Zn10 | P 1 2/n 1 | 21.4814; 30.514; 34.022 90; 97.399; 90 | 22115 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
| 1519880 | CIF | C27 H36 B Cl F2 N2 | P 1 2/n 1 | 12.4636; 7.3364; 15.1611 90; 91.529; 90 | 1385.8 | Aldridge, Simon; Callear, Samantha K.; Hursthouse, Michael B. C27H36BClF2N2 Crystal Structure Report Archive, 2008, 618 |
| 1520360 | CIF | C24 H16 N2 O4 | P 1 2/n 1 | 22.6513; 7.5907; 22.7311 90; 101.11; 90 | 3835.1 | Holliman, Peter J.; Callear, Samantha K.; Hursthouse, Michael B. C24H16N2O4 Crystal Structure Report Archive, 2009, 667 |
| 1521075 | CIF | Ba Fe2 O12 Se4 | P 1 2/n 1 | 10.098; 5.238; 10.595 90; 96.31; 90 | 557.01 | Giester, G. Syntheses and crystal structures of the new compounds Ba Fe2 (Se O3)4, Ag Fe (Se O3)2 and Rb Fe (Se O4) (Se O3) Journal of Alloys Compd., 2000, 308, 71-76 |
| 1521965 | CIF | H13 N3 O8 S2 | P 1 2/n 1 | 15.727; 5.883; 10.178 90; 101.66; 90 | 922.256 | Sooryanarayana, K.; Guru Row, T.N.; Robinson, W.T. Phase transitions in triammonium hydrogen disulphate: crystal structure of an intermediate stable phase at -90 C Phase Transition, 1999, 69, 429-438 |
| 1525557 | CIF | K2.473 Nb2.844 O17 P2.5 Ti1.156 | P 1 2/n 1 | 13.7864; 6.4078; 16.9384 90; 83.15; 90 | 1485.67 | Alekseeva, O.A.; Sorokina, N.I.; Blomberg, M.K.; Verin, I.A.; Losevskaya, T.Yu.; Simonov, V.I.; Yanovskii, V.K.; Voronkova, V.I. The crystal structure of K2.47 Nb2.85 Ti1.15 P2.5 O17 Kristallografiya, 2001, 46, 215-220 |
| 1525558 | CIF | K2.92 Nb2.576 O17 P2.5 Ti1.424 | P 1 2/n 1 | 13.8; 6.412; 16.893 90; 83.33; 90 | 1484.67 | Alekseeva, O.A.; Sorokina, N.I.; Simonov, V.I.; Verin, I.A.; Yanovskii, V.K.; Losevskaya, T.Yu.; Voronkova, V.I. Synthesis and X-ray diffraction study of K2.92 Nb2.58 Ti1.42 P2.5 O17 single crystals Kristallografiya, 2001, 46, 816-822 |
| 1525779 | CIF | Cl3 H14 O7 Sc | P 1 2/n 1 | 7.516; 7.564; 9.468 90; 99.212; 90 | 531.323 | Lim, K.C.; Skelton, B.W.; White, A.H. Crystal structures of the 'maximally' hydrated scandium halides, Sc X3 . n(H2 O) (X = Cl, Br, I) Australian Journal of Chemistry, 2000, 53, 875-878 |
| 1525781 | CIF | Br3 H14 O7 Sc | P 1 2/n 1 | 7.714; 7.764; 9.762 90; 98.876; 90 | 577.659 | Lim, K.C.; Skelton, B.W.; White, A.H. Crystal structures of the 'maximally' hydrated scandium halides, ScX3 . n(H2 O) (X = Cl, Br, I) Australian Journal of Chemistry, 2000, 53, 875-878 |
| 1527650 | CIF | Li O8 W2 Yb | P 1 2/n 1 | 9.89; 5.77; 4.98 90; 93.5; 90 | 283.655 | Klevtsova, R.F.; Belov, N.V. Variation on a single wolframite motif in the structures of Li Yb (W O4)2, Li Fe (W O4)2, and Na Fe (W O4)2 Kristallografiya, 1970, 15, 43-46 |
| 1529230 | CIF HKL | C12 H15 Eu N6 O9 S3 | P 1 2/n 1 | 14.1033; 10.0988; 15.4061 90; 110.003; 90 | 2061.87 | Golovnev, Nicolay; Molokeev, Maxim Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato) dieuropium(III) Russian Journal of Coordination Chemistry, 2014, 40, 648 |
| 1530355 | CIF | Ca Mo4 O16 U | P 1 2/n 1 | 11.447; 6.651; 8.236 90; 90.44; 90 | 627.021 | Marsh, R.E. On the structure of the series of oxides M(II) U Mo4 O16 Journal of Solid State Chemistry, 1988, 73, 577-578 |
| 1530826 | CIF | F3 H12 Mo2 N3 O10 | P 1 2/n 1 | 10.686; 6.604; 8.338 90; 106.39; 90 | 564.504 | Stomberg, R. Studies on peroxomolybdates. XVI: A new fluoro-bridged tetraperoxodimolybdate. Crystal structure of ammonium mue-fluoro-bis(fluorooxodiperoxomolybdate(VI)), (N H4)3 (F (Mo F O (O2)2)2) Journal of the Less-Common Metals, 1988, 144, 109-116 |
| 1531997 | CIF | Ba Mn O12 Ti5 | P 1 2/n 1 | 9.921; 8.9139; 10.309 90; 91.24; 90 | 911.461 | Prieto, A.L.; Siegrist, T.; Schneemeyer, L.F. New barium manganese titanates prepared under reducing conditions Solid State Sciences, 2002, 4, 323-327 |
| 1532114 | CIF | C2 H24 Al Ce0.44 Nd0.23 O24 S2 Y0.33 | P 1 2/n 1 | 10.289; 9.234; 11.015 90; 108.5; 90 | 992.44 | Rouse, R.C.; Peacor, D.R.; Essene, E.J.; Coskren, T.D.; Lauf, R.J. The new minerals levinsonite-(Y), ((Y, Nd, Ce) Al (S O4)2 (C2 O4) * 12(H2 O)) and zugshunstite-(Ce), ((Ce, Nd, la) Al (S O4)2 (C2 O4) * 12(H2 O)): coexisting oxalates with different structures and differentiation of LREE and HREE Geochimica et Cosmochimica Acta, 2001, 65, 1101-1115 |
| 1534508 | CIF | Cl3 Eu H12 O6 | P 1 2/n 1 | 9.659; 6.529; 7.936 90; 93.67; 90 | 499.446 | Lepert, D.L.; Patrick, J.M.; White, A.H. Structure and Stereochemistry in 'f-Block' Complexes of High Coordination Number. VII The (M(unidentate X)2(unidentate Y)6) System: Crystal Structure of Hexaaquadichloroeuropium(III) Chloride (a Redetermination) Australian Journal of Chemistry, 1983, 36, 477-482 |
| 1536199 | CIF | H43 Mo7 Na7 O46 | P 1 2/n 1 | 12.8407; 9.9279; 16.2632 90; 92.293; 90 | 2071.59 | Cruywagen, J.J.; Esterhuysen, M.W.; Heyns, J.B.B. The isolation and X-Ray characterization of a new sodium heptamolybdate compound, Na7 [Mo7 O24] O H * 21 H2 O Inorganica Chimica Acta, 2003, 348, 205-211 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!