Crystallography Open Database
Search results
Result: there are 3786 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 b c n'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4000274 | CIF | C12 H16 F12 N2 O6 Ru | P b c n | 17.4585; 9.9702; 12.2534 90; 90; 90 | 2132.88 | Chemistry of Materials, 2003 |
| 4000313 | CIF | C56 H84 Co Li2 O6 | P b c n | 17.1013; 16.7999; 19.3768 90; 90; 90 | 5567 | Chemistry of Materials, 2003 |
| 4000335 | CIF | C20 H44 As2 F12 Li2 O10 | P b c n | 12.3788; 22.512; 12.3431 90; 90; 90 | 3439.6 | Chemistry of Materials, 2003 |
| 4000670 | CIF | Ba3 Dy2 P4 S16 | P b c n | 19.112; 10.2646; 12.602 90; 90; 90 | 2472.2 | Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er) Chem. Mater., 2006, 18, 187-197 |
| 4000671 | CIF | Ba3 Er2 P4 S16 | P b c n | 19.078; 10.2413; 12.5682 90; 90; 90 | 2455.6 | Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er) Chem. Mater., 2006, 18, 187-197 |
| 4000672 | CIF | Ba3 Gd2 P4 S16 | P b c n | 19.127; 10.2795; 12.648 90; 90; 90 | 2486.8 | Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er) Chem. Mater., 2006, 18, 187-197 |
| 4000673 | CIF | Ba3 Ho2 P4 S16 | P b c n | 19.088; 10.2481; 12.565 90; 90; 90 | 2457.9 | Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er) Chem. Mater., 2006, 18, 187-197 |
| 4000674 | CIF | Ba3 P4 S16 Tb2 | P b c n | 19.113; 10.261; 12.616 90; 90; 90 | 2474.2 | Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er) Chem. Mater., 2006, 18, 187-197 |
| 4000759 | CIF | C16 H25 Ag F7 O2 P | P b c n | 15.573; 16.835; 16.276 90; 90; 90 | 4267.1 | Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films Chemistry of Materials, 2011, 23, 2901 |
| 4000867 | CIF | C17.88 H15.76 F6 O4 P S8 | P b c n | 29.459; 12.607; 6.947 90; 90; 90 | 2580 | Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6 Chemistry of Materials, 2010, 22, 3121 |
| 4000868 | CIF | C17.88 H15.76 F6 O4 P S8 | P b c n | 29.396; 12.564; 6.906 90; 90; 90 | 2550.6 | Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6 Chemistry of Materials, 2010, 22, 3121 |
| 4000869 | CIF | C17.88 H15.76 F6 O4 P S8 | P b c n | 29.313; 12.572; 6.818 90; 90; 90 | 2512.6 | Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6 Chemistry of Materials, 2010, 22, 3121 |
| 4001371 | CIF | C6 H18 N2 O21 P6 Pr2 | P b c n | 27.5001; 11.99777; 7.25373 90; 90; 90 | 2393.29 | Cunha-Silva, Luís; Mafra, Luís; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Almeida Paz, Filipe A. Photoluminescent Lanthanide−Organic 2D Networks: A Combined Synchrotron Powder X-ray Diffraction and Solid-State NMR Study Chemistry of Materials, 2007, 19, 3527 |
| 4002232 | CIF | Mo2 O14 P2 Rb2 Te | P b c n | 12.544; 8.934; 11.3222 90; 90; 90 | 1268.86 | Guesdon, A.; Raveau, B. A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs) Chemistry of Materials (1,1989-), 2000, 12, 2239-2243 |
| 4002234 | CIF | Mo2 O14 P2 Te Tl2 | P b c n | 12.503; 8.912; 11.3 90; 90; 90 | 1259.12 | Guesdon, A.; Raveau, B. A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs) Chemistry of Materials (1,1989-), 2000, 12, 2239-2243 |
| 4002235 | CIF | Cs2 Mo2 O14 P2 Te | P b c n | 12.367; 9.4907; 11.515 90; 90; 90 | 1351.53 | Guesdon, A.; Raveau, B. A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs) D Chemistry of Materials (1,1989-), 2000, 12, 2239-2243 |
| 4002307 | CIF | H2 I2 O9 U | P b c n | 8.452; 7.707; 12.271 90; 90; 90 | 799.328 | Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E. Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions Chemistry of Materials (1,1989-), 2001, 13, 1266-1272 |
| 4003008 | CIF | C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 | P b c n | 35.1264; 27.9091; 29.5657 90; 90; 90 | 28984.6 | Wei, Xiao; Kang, Xi; Yuan, Qianqin; Qin, Chenwanli; Jin, Shan; Wang, Shuxin; Zhu, Manzhou Capture of Cesium Ions with Nanoclusters: Effects on Inter- and Intramolecular Assembly Chemistry of Materials, 2019, 31, 4945 |
| 4003319 | CIF | C27 H21 Br Cd Cl N3 O10 | P b c n | 28.9782; 17.9781; 12.4794 90; 90; 90 | 6501.4 | An, Wen; Aulakh, Darpandeep; Zhang, Xuan; Verdegaal, Wolfgang; Dunbar, Kim R.; Wriedt, Mario Switching of Adsorption Properties in a Zwitterionic Metal‒Organic Framework Triggered by Photogenerated Radical Triplets Chemistry of Materials, 2016, 28, 7825 |
| 4003400 | CIF | C15 H26 I7 N3 Pb2 | P b c n | 41.4633; 9.0279; 8.7717 90; 90; 90 | 3283.48 | Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R. General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium Chemistry of Materials, 2018, 30, 8606 |
| 4003516 | CIF | H2 Lu N O7 Se | P b c n | 16.151; 11.854; 6.795 90; 90; 90 | 1300.9 | Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution Chemistry of Materials, 2020 |
| 4004007 | CIF | C18 Bi2 Br9 N3 | P b c n | 22.4702; 18.4743; 19.2456 90; 90; 90 | 7989.3 | Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches Chemistry of Materials, 2021 |
| 4004009 | CIF | C18 H48 Bi2 Br9 N3 | P b c n | 23.0597; 18.4426; 18.2352 90; 90; 90 | 7755.1 | Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches Chemistry of Materials, 2021 |
| 4020635 | CIF | C15 H15 F2 N3 O2 S | P b c n | 21.3729; 9.7107; 14.4801 90; 90; 90 | 3005.3 | Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine Journal of Organic Chemistry, 2005, 70, 9377-9381 |
| 4020700 | CIF | C22.5 H25 Cl N2 O3 | P b c n | 32.3497; 9.9117; 12.2514 90; 90; 90 | 3928.3 | Birte Basler; Oliver Schuster; Thorsten Bach Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening Journal of Organic Chemistry, 2005, 70, 9798-9808 |
| 4020885 | CIF | C11 H16 O | P b c n | 21.31; 9.721; 8.755 89; 89; 90 | 1813.4 | Naoki Kise Theoretical Study of Electroreductive Intramolecular Coupling of Nonconjugated Olefinic and Aromatic Ketones Journal of Organic Chemistry, 2004, 69, 2147-2152 |
| 4020914 | CIF | C30 H24 Br2 N4 O3 S | P b c n | 22.3292; 15.1543; 8.8149 90; 90; 90 | 2982.8 | Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives Journal of Organic Chemistry, 2004, 69, 2953-2958 |
| 4021133 | CIF | C22 H26 S | P b c n | 17.9083; 12.7853; 7.5734 90; 90; 90 | 1734.03 | Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards Journal of Organic Chemistry, 2004, 69, 7336-7339 |
| 4021356 | CIF | C11 H15 N2 O2 S2 | P b c n | 21.577; 7.3939; 15.952 90; 90; 90 | 2545 | Akiyuki Hamasaki; Richard Ducray; Dale L. Boger Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity Journal of Organic Chemistry, 2006, 71, 185-193 |
| 4021380 | CIF | C21 H26 | P b c n | 15.4353; 10.5395; 21.014 90; 90; 90 | 3418.6 | V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds Journal of Organic Chemistry, 2006, 71, 520-526 |
| 4021553 | CIF | C30 H32 O10 | P b c n | 38.507; 11.0686; 13.5293 90; 90; 90 | 5766.5 | Vijay Nair; Ani Deepthi; Manojkumar Poonoth; Bindu Santhamma; Sreekumar Vellalath; Beneesh Pattoorpady Babu; Resmi Mohan; Eringathodi Suresh Reaction of Dimethoxycarbene-DMAD Zwitterion with 1,2-Diones and Anhydrides: A Novel Synthesis of Highly Substituted Dihydrofurans and Spirodihydrofurans Journal of Organic Chemistry, 2006, 71, 2313-2319 |
| 4021558 | CIF | C21 H29 B F2 N2 O2 | P b c n | 18.193; 11.808; 9.98 90; 90; 90 | 2143.9 | Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles Journal of Organic Chemistry, 2006, 71, 2389-2394 |
| 4021721 | CIF | C10 H22 N2 O2 Os | P b c n | 6.1505; 12.5027; 16.6071 90; 90; 90 | 1277.05 | Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker New Osmium-Based Reagent for the Dihydroxylation of Alkenes Journal of Organic Chemistry, 2006, 71, 4481-4489 |
| 4021741 | CIF | C73 H98 Li2 N4 O4 | P b c n | 17.47; 28.695; 27.5 90; 90; 90 | 13786 | Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites Journal of Organic Chemistry, 2006, 71, 4559-4564 |
| 4021805 | CIF | C26 H34 Cl2 N5 O1.5 Pd | P b c n | 22.812; 15.838; 14.956 90; 90; 90 | 5403.8 | Fanlong Zeng; Zhengkun Yu Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions Journal of Organic Chemistry, 2006, 71, 5274-5281 |
| 4021843 | CIF | C13 H12 O2 | P b c n | 11.1852; 12.1545; 14.9021 90; 90; 90 | 2025.95 | Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems Journal of Organic Chemistry, 2006, 71, 6099-6109 |
| 4021992 | CIF | C13 H10 N2 O | P b c n | 23.155; 11.9939; 7.0969 90; 90; 90 | 1970.9 | Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives Journal of Organic Chemistry, 2006, 71, 7840-7845 |
| 4022150 | CIF | C18 H24 | P b c n | 11.155; 7.505; 16.57 90; 90; 90 | 1387 | Sergiy V. Rosokha; Jay K. Kochi The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons Journal of Organic Chemistry, 2006, 71, 9357-9365 |
| 4022291 | CIF | C83 H132 N32 O16 | P b c n | 23.6973; 19.9952; 20.2313 90; 90; 90 | 9586 | Hélène Sauriat-Dorizon; Thierry Maris; James D. Wuest; Gary D. Enright Molecular Tectonics. Construction of Porous Hydrogen-Bonded Networks from Bisketals of Pentaerythritol Journal of Organic Chemistry, 2003, 68, 240-246 |
| 4022358 | CIF | C24 H10 N O2 | P b c n | 12.2443; 12.454; 11.9541 90; 90; 90 | 1822.9 | Jason E. Field; Thomas J. Hill; D. Venkataraman Bridged Triarylamines: A New Class of Heterohelicenes Journal of Organic Chemistry, 2003, 68, 6071-6078 |
| 4022374 | CIF | C24 H22 Co2 O7 | P b c n | 32.378; 15.971; 9.371 90; 90; 90 | 4846 | David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity Investigation of a Stereoselective Co-Mediated Rearrangement Reaction Journal of Organic Chemistry, 2003, 68, 4392-4399 |
| 4022452 | CIF | C9 H8 N6 S5 | P b c n | 6.2662; 13.0714; 17.4538 90; 90; 90 | 1429.61 | Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems Journal of Organic Chemistry, 2003, 68, 4791-4796 |
| 4022618 | CIF | C26 H38 Cl2 N10 O10 | P b c n | 29.633; 17.158; 12.5526 90; 90; 90 | 6382.3 | Ali Asadi; Brian O. Patrick; David M. Perrin Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures Journal of Organic Chemistry, 2007, 72, 466-475 |
| 4023337 | CIF | C60 H42 | P b c n | 18.431; 11.8956; 19.474 90; 90; 90 | 4269.7 | Sethuraman Sankararaman; Gandikota Venkataramana; Babu Varghese Conformational Isomers from Rotation of Diacetylenic Bond in an Ethynylpyrene-Substituted Molecular Hinge Journal of Organic Chemistry, 2008, 73, 2404-2407 |
| 4023390 | CIF | C21 H33 N O5 | P b c n | 29.491; 10.35; 13.652 90; 90; 90 | 4167.1 | Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions Journal of Organic Chemistry, 2008, 73, 3318-3327 |
| 4024296 | CIF | C17 H22 O6 | P b c n | 22.5294; 13.8214; 10.741 90; 90; 90 | 3344.6 | Eric Fillion; Ashraf Wilsily; Dan Fishlock Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives Journal of Organic Chemistry, 2009, 74, 1259-1267 |
| 4024833 | CIF | C104 H28 F30 O2 | P b c n | 17.8857; 25.3005; 31.4601 90; 90; 90 | 14236.2 | Yuta Takano; M. Ángeles Herranz; Ivan E. Kareev; Steven H. Strauss; Olga V. Boltalina; Takeshi Akasaka; Nazario Martín Efficient Regioselective [4+2] Cycloaddition of o-Quinodimethane to C70(CF3)10 Journal of Organic Chemistry, 2009, 74, 6902-6905 |
| 4024951 | CIF | C17.5 H31 N4 O4.5 Pd | P b c n | 12.1919; 13.4354; 25.0193 90; 90; 90 | 4098.2 | Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes Journal of Organic Chemistry, 2009, 74, 8441-8443 |
| 4025253 | CIF | C16 H17 Br O3 | P b c n | 21.609; 8.9577; 15.245 90; 90; 90 | 2950.9 | Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane Journal of Organic Chemistry, 2010, 75, 1259-1265 |
| 4025863 | CIF | C15 H19 N5 O4 S | P b c n | 18.5439; 8.3721; 21.282 90; 90; 90 | 3304.1 | Larissa B. Krasnova; Jason E. Hein; Valery V. Fokin Synthesis of 7-Aza-5-deazapurine Analogues via Copper(I)-Catalyzed Hydroamination of Alkynes and 1-Iodoalkynes Journal of Organic Chemistry, 2010, 75, 8662-8665 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!