Crystallography Open Database
Search results
Result: there are 1656 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 c c n'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000508 | CIF | C16 H26 O5 | P c c n | 13.7805; 29.081; 8.4303 90; 90; 90 | 3378.45 | Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R. Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters European Journal of Organic Chemistry, 2002, 2002, 514-525 |
1007082 | CIF | K O12 P3 Zn4 | P c c n | 13.81; 8.166; 9.675 90; 90; 90 | 1091.1 | Averbuch-Pouchot, M T; Durif, A Structure du Monophosphate de Potassium-Zinc: K Zn~4~ (P O~4~)~3~ Acta Crystallographica B (24,1968-38,1982), 1979, 35, 151-152 |
1008693 | CIF | Li4 Re6 S11 | P c c n | 9.571; 14.006; 11.678 90; 90; 90 | 1565.5 | Bronger, W; Miessen, H J; Muller, P; Neugroschel, R Darstellung und Kristallstruktur von Li4 Re6 S11 Journal of the Less-Common Metals, 1985, 105, 303-310 |
1100655 | CIF | C14 H17 N5 | P c c n | 15.878; 22.125; 7.9029 90; 90; 90 | 2776.3 | Hansongnern, Kanidtha; Tempiam, Sansanee; Liou, Jian-Cheng; Liao, Fen-Ling; Lu, Tian-Huey Crystal Structure of 2-(4'-N,N-Diethylaminophenylazo)pyrimidine Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x13-x14 |
1100792 | CIF | C55 H64 B Cl2 Ir2 N4 Rh | P c c n | 12.68; 12.734; 32.297 90; 90; 90 | 5214 | Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes Organometallics, 2005, 24, 2251-2254 |
1100861 | CIF | C27 H38 Au Cl N2 | P c c n | 10.9098; 12.5994; 19.3635 90; 90; 90 | 2661.6 | de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P. Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes Organometallics, 2005, 24, 2411-2418 |
1100994 | CIF | C7 H16 N4 O2 | P c c n | 8.2002; 13.084; 9.2354 90; 90; 90 | 990.8 | Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH–(CH~2~)n–NH(CO)NH~2~ with n=4 and 5 Journal of Molecular Structure, 2005, 752, 93-97 |
1500005 | CIF | As3 Co2 H47 N12 O16 | P c c n | 27.4534; 13.1997; 14.468 90; 90; 90 | 5242.9 | Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate Journal of Molecular Structure, 2007, 828, 174-180 |
1502236 | CIF | C30 H22 N4 O5 | P c c n | 9.165; 18.929; 30.39 90; 90; 90 | 5272.2 | Deng, Hong-Ping; Wei, Yin; Shi, Min Highly regio- and diastereoselective construction of spirocyclopenteneoxindoles through phosphine-catalyzed [3 + 2] annulation of Morita-Baylis-Hillman carbonates with isatylidene malononitriles. Organic letters, 2011, 13, 3348-3351 |
1502321 | CIF | C12 H18 O4 | P c c n | 27.989; 9.0736; 9.4414 90; 90; 90 | 2397.7 | Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang A hydrogen peroxide based access to qinghaosu (artemisinin). Organic letters, 2011, 13, 4212-4215 |
1502724 | CIF | C8 H10 N2 O | P c c n | 12.7255; 15.1322; 8.1552 90; 90; 90 | 1570.4 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
1502730 | CIF | C16 H20 N2 O | P c c n | 9.8846; 27.5538; 9.9296 90; 90; 90 | 2704.41 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
1502845 | CIF | C16 H13 N O4 | P c c n | 24.6054; 7.0101; 15.5516 90; 90; 90 | 2682.44 | Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J. Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes. Organic letters, 2010, 12, 1664-1667 |
1502960 | CIF | C14 H20 Br2 S2 Si2 | P c c n | 8.0751; 17.198; 28.867 90; 90; 90 | 4008.9 | Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R. Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes. Organic letters, 2010, 12, 2136-2139 |
1503983 | CIF | C11 H20 N2 O2 | P c c n | 20.5261; 12.69158; 9.48439 90; 90; 90 | 2470.77 | Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope. Organic letters, 2009, 11, 3194-3197 |
1505854 | CIF | C76 H126 N4 Si6 | P c c n | 38.747; 13.9582; 15.0445 90; 90; 90 | 8136.6 | Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F. Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline. Organic letters, 2006, 8, 757-760 |
1506685 | CIF | C12 H8 O4 | P c c n | 10.126; 14.618; 18.704 90; 90; 90 | 2768.6 | Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J. Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle. Organic letters, 2005, 7, 4827-4830 |
1506728 | CIF | C27 H28 O Sn | P c c n | 15.4757; 40.118; 7.287 90; 90; 90 | 4524.2 | Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J. Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes. Organic letters, 2005, 7, 5377-5380 |
1506808 | CIF | C12 H28 Cl Li O10 | P c c n | 31.229; 12.075; 15.127 90; 90; 90 | 5704.2 | Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G. LiClO4Electrolyte Solvate Structures The Journal of Physical Chemistry A, 2004, 108, 225 |
1506990 | CIF | C38 H44 Cl10 S Sb | P c c n | 22.182; 9.474; 19.654 90; 90; 90 | 4130 | Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties. Organic letters, 2004, 6, 4179-4182 |
1507361 | CIF | C42 H50 N6 O9 | P c c n | 11.2522; 22.989; 37.8075 90; 90; 90 | 9779.9 | Chong, Jonathan H.; Sauer, Marc; Patrick, Brian O.; MacLachlan, Mark J. Highly stable keto-enamine salicylideneanilines. Organic letters, 2003, 5, 3823-3826 |
1507401 | CIF | C27 H28 N2 O6 | P c c n | 17.956; 20.546; 12.9986 90; 90; 90 | 4795.5 | Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L. Stereochemical control of skeletal diversity. Organic letters, 2003, 5, 4125-4127 |
1507907 | CIF | C27 H24 N4 O4 Zn | P c c n | 17.237; 11.031; 12.413 90; 90; 90 | 2360.2 | Liu, Lu; Li, Xiaoli; Xu, Chunying; Han, Gang; Zhao, Ying; Hou, Hongwei; Fan, Yaoting Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates Inorganica Chimica Acta, 2012, 391, 66-74 |
1508111 | CIF | C31 H50 Al N3 | P c c n | 19.074; 21.504; 14.858 90; 90; 90 | 6094 | 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 |
1508277 | CIF | C23 H15 I O | P c c n | 18.199; 26.703; 7.364 90; 90; 90 | 3578.7 | Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols. Organic letters, 2012, 14, 3588-3591 |
1508540 | CIF | C21 H26 F3 N O | P c c n | 14.6043; 22.5308; 23.7796 90; 90; 90 | 7824.6 | Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M. Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols. The journal of physical chemistry. A, 2012, 116, 12249-12259 |
1509677 | CIF | Ag2 Nb P6 S25 Ti3 | P c c n | 22.609; 27.6939; 11.589 90; 90; 90 | 7256.24 | Quarton, M.; Angenault, J.; Cieren, X.; Wallez, G. Two new thiophosphates with interlocked structures: Ag Ti2 (P S4)3 and Ag2 Nb Ti3 P6 S25 Journal of Solid State Chemistry, 2000, 153, 55-65 |
1510867 | CIF | B28 Fe28 Gd8 | P c c n | 7.051; 7.051; 27.32999 90; 90; 90 | 1358.75 | Givord, D.; Tenaud, P. Refinement of the crystal structure of R(1+e) Fe4 B4 compounds (R= Nd, Gd) Journal of the Less-Common Metals, 1986, 123, 109-116 |
1510967 | CIF | B36 Fe36 Nd10 | P c c n | 7.117; 7.117; 35.06999 90; 90; 90 | 1776.35 | Givord, D.; Tenaud, P. Refinement of the crystal structure of R(1+e) Fe4 B4 compounds (R= Nd, Gd) Journal of the Less-Common Metals, 1986, 123, 109-116 |
1511162 | CIF | B Ga O4 Sr | P c c n | 15.3154; 8.9186; 5.813 90; 90; 90 | 794.009 | He, M.; Liang, J.K.; Yang, Z.; Chen, X.L.; Chen, J.R. The crystal structure of alpha-(Sr Ga B O4) Crystal Research and Technology, 2004, 39, 634-642 |
1513024 | CIF | C19 H15 Cd N2 O3.5 | P c c n | 14.1825; 17.9582; 14.9933 90; 90; 90 | 3818.7 | Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities Inorganica Chimica Acta, 2013, 397, 48-59 |
1513273 | CIF | C9 H15 N O4 | P c c n | 24.132; 9.2945; 9.5736 90; 90; 90 | 2147.3 | Huang, Xiaonan; Du, Fusheng; Cheng, Jing; Dong, Yongquan; Liang, Dehai; Ji, Shouping; Lin, Shrong-Shi; Li, Zichen Acid-Sensitive Polymeric Micelles Based on Thermoresponsive Block Copolymers with Pendent Cyclic Orthoester Groups Macromolecules, 2009, 42, 783 |
1513451 | CIF | C18 H15 N O7 | P c c n | 30.1051; 30.0687; 7.05381 90; 90; 90 | 6385.3 | Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J. Total synthesis of (±)-distomadines a and B. Organic letters, 2014, 16, 1064-1067 |
1514621 | CIF | C60 H82 Mg2 N4 O4 | P c c n | 14.5246; 15.621; 25.9215 90; 90; 90 | 5881.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1515414 | CIF | C12 H18 N2 O | P c c n | 21.8777; 24.4332; 8.9667 90; 90; 90 | 4793.1 | Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A. Structurally simple lipid bilayer transport agents for chloride and bicarbonate Chemical Science, 2011, 2, 256 |
1515681 | CIF | C28 H29 N O2 S | P c c n | 34.3459; 11.0908; 12.4392 90; 90; 90 | 4738.4 | Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M. Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes Chemical Science, 2011, 2, 141 |
1515803 | CIF | C60 H72 Cl4 Sn2 | P c c n | 20.3965; 15.7884; 17.1574 90; 90; 90 | 5525.2 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
1515922 | CIF | C45 H30 F6 S2 | P c c n | 26.732; 8.0585; 16.3195 90; 90; 90 | 3515.5 | Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro Photochromism of dithienylethene single crystals having anthracene substituents. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1079-1081 |
1516427 | CIF | C21 H21 N Si | P c c n | 19.1697; 21.281; 9.166 90; 90; 90 | 3739.3 | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686 |
1516453 | CIF | C48 H50 N8 O5 | P c c n | 30.312; 20.567; 6.777 90; 90; 90 | 4225 | Ono, Katsuhiko; Tsukamoto, Kenichi; Hosokawa, Ryohei; Kato, Masaki; Suganuma, Motohiro; Tomura, Masaaki; Sako, Katsuya; Taga, Keijiro; Saito, Katsuhiro A linear chain of water molecules accommodated in a macrocyclic nanotube channel. Nano letters, 2009, 9, 122-125 |
1516907 | CIF | C12 H9 Cl2 O4 P | P c c n | 22.0545; 4.6788; 12.8346 90; 90; 90 | 1324.38 | Payal Malik; Debashis Chakraborty Hydrogen phosphates: Self initiated organocatalysts for the controlled ring-opening polymerization of cyclic esters Inorganica Chimica Acta, 2013, 400, 32-41 |
1517427 | CIF | C12 H28 I Li O6 | P c c n | 10.1824; 12.0243; 14.6817 90; 90; 90 | 1797.6 | Vanhoutte, Gijs; Brooks, Neil R.; Schaltin, Stijn; Opperdoes, Bastiaan; Van Meervelt, Luc; Locquet, Jean-Pierre; Vereecken, Philippe M.; Fransaer, Jan; Binnemans, Koen Electrodeposition of Lithium from Lithium-Containing Solvate Ionic Liquids The Journal of Physical Chemistry C, 2014, 118, 20152 |
1518140 | CIF | C40 H58 Cu2 K N8 O52 Ru Si W11 | P c c n | 17.8663; 22.1923; 22.2835 90; 90; 90 | 8835.3 | Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation Chem. Sci., 2015, 6, 1035 |
1518185 | CIF | F8 Ge H12 N4 | P c c n | 5.408; 13.721; 10.832 90; 90; 90 | 803.8 | Gantar, Darja; Golic, Ljubo; Leban, Ivan; Rahten, Anka Crystal structures of hydrazinium (2+) fluorometallates : crystal structures of hydrazinium (2+) difluoride hexafluorogermanate (IV) and hydrazinium (2+) pentafluoroantimonate (III) Revue de Chimie Minerale, 1986, 23, 668-675 |
1519087 | CIF | C15 H13 N O5 | P c c n | 25.3676; 10.1589; 12.018 90; 90; 90 | 3097.1 | Damsgaard, Anders; Hazell, Rita; Bols, Mikael Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates Acta Chemica Scandinavica, 1999, 53, 521-527 |
1519257 | CIF | C10 H8 S2 | P c c n | 7.4172; 21.242; 5.6592 90; 90; 90 | 891.6 | Murphy, Patrick J.; Light, Mark E.; Hursthouse, Michael B. C10H8S2 Crystal Structure Report Archive, 2000, 733 |
1519731 | CIF | C97 H38 O5 | P c c n | 20.4346; 31.7982; 17.2829 90; 90; 90 | 11230.1 | Smith, Paul D.; Coles, Simon J.; Hursthouse, Michael B. C24H29N5NiO3S2 Crystal Structure Report Archive, 2004, 906 |
1520209 | CIF | C9 H14 N2 O4 | P c c n | 20.5769; 7.3521; 14.0383 90; 90; 90 | 2123.8 | Callear, Samantha K.; Hursthouse, Michael B. 1,2-Dimethylimidazolium succinate Crystal Structure Report Archive, 2008, 461 |
1520352 | CIF | C20 H28 B Cl3 F4 Ru2 | P c c n | 10.7827; 13.1678; 16.8284 90; 90; 90 | 2389.4 | Fletcher, Nicholas C.; Horton, Peter N.; Hursthouse, Michael B. C20H28BCl3F4Ru2 Crystal Structure Report Archive, 2009, 1250 |
1529388 | CIF HKL | C3 H6 N2 O5 Pb0.5 | P c c n | 8.5528; 18.049; 8.8422 90; 90; 90 | 1365 | N.N. Golovnev; A.D. Vasiliev; M.S. Molokeev; G.V. Novikova; M.V. Sergeeva The synthesis of complex compounds of metals with b-alanine Vestnik KrasSU, 2004, 2, 14-19 |
1529562 | CIF | Cs3 Fe4 O20 P5 | P c c n | 9.838; 13.913; 14.076 90; 90; 90 | 1926.67 | Andrews-Allen, E.M.; Robinson, W.R. Crystal structures of a cesium iron(III) phosphate, Cs3 Fe4 (P O4)5, and a cesium iron(III) oxyphosphate, Cs7 Fe7 (P O4)8 O2 Journal of Solid State Chemistry, 1988, 74, 88-97 |
1530200 | CIF | Na2 O4 U | P c c n | 11.708; 5.805; 5.97 90; 90; 90 | 405.751 | Kovba, L.M. The crystal structure of potassium and sodium monouranates Radiokhimiya, 1971, 13, 309-311 |
1530806 | CIF | B12 F2 H12 K2 O | P c c n | 7.992; 11.424; 13.407 90; 90; 90 | 1224.07 | Solntsev, K.A.; Zukova, N.A.; Butman, L.A.; Kuznetsov, N.T. Structure and properties of (K2 B12 H10 F2) (H2 O) Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1980, 16, 1882-1884 |
1531436 | CIF | Cu La2 O4.02 | P c c n | 5.3788; 5.385; 13.139 90; 90; 90 | 380.569 | Hidaka, M.; Tanaka, K.; Wakimoto, H.; Yoshimura, M.; Ohba, M.; Yamada, K. Structural phase transition and structural properties in oxygenated La2 Cu O4+y; y = 0.02 Phase Transition, 2001, 74, 391-408 |
1532861 | CIF | Ba0.086 Ca0.064 Cu La1.75 Nd0.1 O4 | P c c n | 5.351; 5.3377; 13.174 90; 90; 90 | 376.276 | McAllister, J.; Attfield, J.P. Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 014514-1-014514-10 |
1532862 | CIF | Ba0.094 Ca0.056 Cu La1.7 Nd0.15 O4 | P c c n | 5.3574; 5.3338; 13.163 90; 90; 90 | 376.137 | McAllister, J.; Attfield, J.P. Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 014514-1-014514-10 |
1532863 | CIF | Ba0.112 Cu La1.85 O4 Sr0.038 | P c c n | 5.34916; 5.34237; 13.2317 90; 90; 90 | 378.125 | McAllister, J.; Attfield, J.P. Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 014514-1-014514-10 |
1532864 | CIF | Ba0.136 Cu La1.776 Nd0.074 O4 Sr0.014 | P c c n | 5.35043; 5.34393; 13.2246 90; 90; 90 | 378.122 | McAllister, J.; Attfield, J.P. Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 014514-1-014514-10 |
1532865 | CIF | Ba0.15 Cu La1.736 Nd0.116 O4 | P c c n | 5.3512; 5.34459; 13.2209 90; 90; 90 | 378.117 | McAllister, J.; Attfield, J.P. Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 014514-1-014514-10 |
1533660 | CIF | Ca2 Mn Ni O8 Pr2 | P c c n | 5.3625; 5.3663; 12.0857 90; 90; 90 | 347.788 | Han Duk-Kyun; Kim Sang-Hwan; Kwon Young-Uk; Lee Jeong-Soo; Kim Sung-Hyun; Hong Kun-Pyo Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds Journal of Solid State Chemistry, 2004, 177, 1078-1086 |
1533663 | CIF | Ca2 Mn Nd2 Ni O8 | P c c n | 5.3568; 5.3747; 12.0182 90; 90; 90 | 346.018 | Han Duk-Kyun; Kim Sang-Hwan; Kim Sung-Hyun; Hong Kun-Pyo; Kwon Young-Uk; Lee Jeong-Soo Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds Journal of Solid State Chemistry, 2004, 177, 1078-1086 |
1533666 | CIF | Ca2 Mn Ni O8 Sm2 | P c c n | 5.3673; 5.3405; 11.9038 90; 90; 90 | 341.211 | Han Duk-Kyun; Lee Jeong-Soo; Hong Kun-Pyo; Kim Sang-Hwan; Kim Sung-Hyun; Kwon Young-Uk Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds Journal of Solid State Chemistry, 2004, 177, 1078-1086 |
1533669 | CIF | Ca2 Gd2 Mn Ni O8 | P c c n | 5.3889; 5.3175; 11.8087 90; 90; 90 | 338.384 | Han Duk-Kyun; Kwon Young-Uk; Kim Sang-Hwan; Hong Kun-Pyo; Kim Sung-Hyun; Lee Jeong-Soo Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds Journal of Solid State Chemistry, 2004, 177, 1078-1086 |
1533748 | CIF | H6 K4 Mn O18 S4 | P c c n | 7.482; 20.908; 10.755 90; 90; 90 | 1682.44 | Troyanov, S.I.; Morozov, I.V.; Kemnitz, E. Bimetallic hydrogen sulfates K4 M(II) (H (S O4)2)2 (H2 O)2 (M(II)= Mn or Zn) Kristallografiya, 2002, 47, 1031-1034 |
1533750 | CIF | H6 K4 O18 S4 Zn | P c c n | 7.442; 20.981; 10.585 90; 90; 90 | 1652.75 | Troyanov, S.I.; Morozov, I.V.; Kemnitz, E. Bimetallic hydrogen sulfates K4 M(II) (H (S O4)2)2 (H2 O)2 (M(II)= Mn or Zn) Kristallografiya, 2002, 47, 1031-1034 |
1534337 | CIF | O3 Sb2 | P c c n | 12.46; 4.92; 5.42 90; 90; 90 | 332.263 | Buerger, M. J. The crystal structure of valentinite American Mineralogist, 1936, 21, 206-207 |
1534987 | CIF | Cl6 Re Se4 | P c c n | 10.915; 10.572; 10.15 90; 90; 90 | 1171.24 | Beck, J.; Desgroseilliers, A.; Mueller-Buschbaum, H.; Schlitt, K.J. Strukturbeziehungen zwischen Tetraselen(2+)-hexachlorometallaten: Synthese und Kristallstruktur von Se4 (Re Cl6) und Phasenumwandlung von Se4 (M Cl6) (M = Zr, Hf) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1145-1151 |
1534991 | CIF | Cl6 Se4 Zr | P c c n | 10.917; 10.803; 10.384 90; 90; 90 | 1224.65 | Beck, J.; Desgroseilliers, A.; Mueller-Buschbaum, H.; Schlitt, K.J. Strukturbeziehungen zwischen Tetraselen(2+)-hexachlorometallaten: Synthese und Kristallstruktur von Se4 (Re Cl6) und Phasenumwandlung von Se4 (M Cl6) (M = Zr, Hf) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1145-1151 |
1535613 | CIF | C4 K2 N4 Pt | P c c n | 13.7011; 9.0709; 7.0391 90; 90; 90 | 874.829 | Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M. Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 1462-1468 |
1535885 | CIF | H14 N O13 Pr Se2 | P c c n | 7.019; 9.865; 17.497 90; 90; 90 | 1211.54 | Iskhakova, L.D. Crystal structure of N H4 Pr (Se O4)2 (H2 O)5 Kristallografiya, 1995, 40, 631-634 |
1536234 | CIF | Cl2 Cu O3 Te Zn | P c c n | 10.1897; 15.5389; 7.4512 90; 90; 90 | 1179.8 | Johnsson, M.; Tornroos, K.W. Synthesis and crystal structure of the layered compound Cu Zn (Te O3) Cl2 Solid State Sciences, 2003, 5, 263-266 |
1536835 | CIF | Br2.3 I8.7 Nb6 | P c c n | 11.167; 15.091; 13.431 90; 90; 90 | 2263.41 | Yoshiasa, A.; Borrmann, H.; Simon, A. Synthesis, structure and spin-crossover transition of the cluster compound Nb6I11-xBrx (0<= x<= 2.7) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 1329-1338 |
1536840 | CIF | Br0.5 I10.5 Nb6 | P c c n | 11.28; 15.302; 13.524 90; 90; 90 | 2334.33 | Yoshiasa, A.; Simon, A.; Borrmann, H. Synthesis, structure and spin-crossover transition of the cluster compound Nb6I11-xBrx (0<= x<= 2.7) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 1329-1338 |
1539110 | CIF | I11 Nb6 | P c c n | 11.299; 15.309; 13.558 90; 90; 90 | 2345.21 | Simon, A.; von Schnering, H.G.; Schaefer, H. Nb6 J11 - Eine Verbindung mit (Nb6 J8) - Gruppen Zeitschrift fuer Anorganische und Allgemeine Chemie, 1967, 355, 295-310 |
1539806 | CIF | B18 Fe18 Nd5 | P c c n | 7.13; 7.13; 35.12 90; 90; 90 | 1785.39 | Bocelli, G.; Calestani, G.; Leccabue, F. Structural investigation of incommensurate Nd(1+) epsilon Fe4B4 phase Solid State Communications, 1988, 65, 1301-1305 |
1540188 | CIF | C27 H37 Cu N2 S | P c c n | 12.6538; 10.6947; 19.3375 90; 90; 90 | 2616.9 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
1540648 | CIF | C81 H141 K2 La2 N4 O13 Si4 | P c c n | 20.3261; 54.668; 16.5827 90; 90; 90 | 18426.5 | Kotyk, Christopher M.; Fieser, Megan E.; Palumbo, Chad T.; Ziller, Joseph W.; Darago, Lucy E.; Long, Jeffrey R.; Furche, Filipp; Evans, William J. Isolation of +2 rare earth metal ions with three anionic carbocyclic rings: bimetallic bis(cyclopentadienyl) reduced arene complexes of La2+and Ce2+are four electron reductants Chem. Sci., 2015, 6, 7267 |
1540781 | CIF | Cu La2 O3.97 | P c c n | 5.3538; 5.4034; 13.1449 90; 90; 90 | 380.265 | Yamada, K.; Kudo, E.; Endoh, Y.; Hidaka, Y.; Tsuda, K.; Oda, M.; Tanaka, M.; Asano, H.; Kokusho, K.; Murakami, T.; Izumi, F.; Suzuki, M. Determination of space group and refinement of structure parameters for La2 Cu O4-d crystals Japanese Journal of Applied Physics, Part 1, 1988, 27, 1132-1137 |
1541558 | CIF | C13 H35 Cl2 O P Sn3 Zn | P c c n | 13.266; 29.89; 12.99 90; 90; 90 | 5150.8 | Fuhr, O.; Fenske, D. Die ungewoehnliche Umwandlung von P (Sn Me3)3 in P4 (Sn Me2)6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 244-246 |
1542003 | CIF | C5 H4 K3 N6 O3 V | P c c n | 15.6; 7.2; 11.7 90; 90; 90 | 1314.14 | Jagner, S.; Vannerberg, N.G. Note on the crystal structure of potassium Acta Chemica Scandinavica (1-27,1973-42,1988), 1968, 22, 3330-3331 |
1542236 | CIF | Al B O4 Sr | P c c n | 15.17; 8.86; 5.48 90; 90; 90 | 736.546 | Nagai, T.; Ihara, M. Crystal Structure of Di-Strontium Boro-Aluminate, 2(SrO)~2~⋅Al~2~O~3~⋅B~2~O~3~ Journal of the Ceramic Association, Japan, 1972, 80, 432-437 |
1542275 | CIF | C21 H22 N4 O | P c c n | 20.862; 10.4975; 16.69 90; 90; 90 | 3655.1 | Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I. Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles Chem. Sci., 2016, 7, 2302 |
1542659 | CIF | C18 H9 O2 P S | P c c n | 16.762; 22.071; 7.4782 90; 90; 90 | 2766.6 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
1542896 | CIF | C28 H17 N4 P S | P c c n | 17.008; 32.243; 7.688 90; 90; 90 | 4216 | Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin [d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines Chem. Sci., 2016, 7, 4211 |
1543482 | CIF HKL Paper | C11 H8 Cl N O2 | P c c n | 31.2222; 7.9107; 8.3373 90; 90; 90 | 2059.23 | Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid 1-Allyl-5-chloroindoline-2,3-dione IUCrData, 2016, 1, x160862 |
1544819 | CIF HKL Paper | C16 H14 Cl N O S | P c c n | 15.9745; 25.7276; 7.4153 90; 90; 90 | 3047.6 | Ravi, A. J.; Vinayaka, A. C.; Kumar, Shamantha; Sadashiva, M. P.; Devarajegowda, H. C. (2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one IUCrData, 2016, 1, x161994 |
1546609 | CIF | C28 H25 B N3 O | P c c n | 18.38; 28.155; 8.802 90; 90; 90 | 4555 | Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence. Organic letters, 2017, 19, 2026-2029 |
1546911 | CIF | C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 | P c c n | 19.9665; 30.9093; 32.546 90; 90; 90 | 20085.8 | Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations Chem. Sci., 2017 |
1547062 | CIF | C16 H15 Br O4 | P c c n | 15.6419; 23.9707; 7.8208 90; 90; 90 | 2932.4 | Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy. Organic letters, 2017, 19, 4468-4471 |
1547552 | CIF | C14 H16 N2 O | P c c n | 14.952; 18.354; 9.4968 90; 90; 90 | 2606.2 | Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes. Organic letters, 2017, 19, 4718-4721 |
1548156 | CIF | C32 H46 Cl Fe N2 O2 | P c c n | 15.5968; 38.1771; 11.0526 90; 90; 90 | 6581.2 | Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation Macromolecules, 2017, 50, 9188 |
1548502 | CIF | C40 H33 Au2 N2 O6.5 P2 | P c c n | 21.247; 18.09; 20.065 90; 90; 90 | 7712.1 | Lin Rong Er Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE, 2005, 1 |
1548992 | CIF | C24 H21 F6 N2 P | P c c n | 14.5591; 21.6499; 13.0273 90; 90; 90 | 4106.2 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
1549066 | CIF HKL Paper | C15 H21 N3 O2 S | P c c n | 29.5823; 15.1971; 7.4303 90; 90; 90 | 3340.4 | Chaurasia, Rahul; Bharti, Akhilesh; Butcher, Ray J.; Wikaira, Jan L.; Bharty, Manoj K. 4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide with an unknown solvent IUCrData, 2018, 3, x180383 |
1549081 | CIF | C57 H83 B2 Li O4 | P c c n | 21.5605; 26.1802; 19.2608 90; 90; 90 | 10871.9 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
1549350 | CIF HKL Paper | C27 H37 Cl N2 O4 | P c c n | 11.0729; 12.6284; 19.6141 90; 90; 90 | 2742.7 | Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S. 1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate IUCrData, 2018, 3, x180516 |
1549935 | CIF | C114 H108 N16 O12 | P c c n | 19.0205; 20.3813; 30.1755 90; 90; 90 | 11697.9 | Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene. Chemical science, 2018, 9, 8814-8818 |
1550415 | CIF | C39 H32 Br2 N4 O | P c c n | 18.5184; 19.9443; 9.0043 90; 90; 90 | 3325.6 | Sindt, Ammon J.; DeHaven, Baillie A.; McEachern, David F.; Dissanayake, Madushanka M.; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S. UV-irradiation of self-assembled triphenylamines affords persistent and regenerable radicals Chemical Science, 2019 |
1550937 | CIF | C32 H24 Br4 Ho N5 O5 | P c c n | 29.5503; 29.9584; 16.0497 90; 90; 90 | 14208.5 | Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents. Metallomics : integrated biometal science, 2019, 11, 1005-1015 |
1550938 | CIF | C32 H24 Br4 Lu N5 O5 | P c c n | 29.587; 29.91; 15.986 90; 90; 90 | 14147 | Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents. Metallomics : integrated biometal science, 2019, 11, 1005-1015 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!