Crystallography Open Database
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Searching space group like 'P b c a'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1512258 | CIF | C12 H14 Cl N3 O S | P b c a | 9.4374; 13.0463; 22.2127 90; 90; 90 | 2734.9 | Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B, 2013, 117, 10414-10429 |
| 1512288 | CIF | C75 H10 N2 O S2 | P b c a | 9.8323; 27.722; 29.449 90; 90; 90 | 8026.9 | Hou, Hui-Lei; Li, Zong-Jun; Li, Shu-Hui; Chen, Si; Gao, Xiang Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE Organic Letters, 2013, 15, 4646 |
| 1512354 | CIF | C18 H18 N2 O2 | P b c a | 11.3182; 15.2662; 16.9741 90; 90; 90 | 2932.9 | Lin, Wen-Chung; Yang, Ding-Yah Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines Organic Letters, 2013, 15, 4862 |
| 1512356 | CIF | C19 H17 N3 O4 | P b c a | 12.358; 11.8372; 22.9929 90; 90; 90 | 3363.5 | Lin, Wen-Chung; Yang, Ding-Yah Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines Organic Letters, 2013, 15, 4862 |
| 1512372 | CIF | C22 H16 Cl N O | P b c a | 7.8897; 20.511; 21.318 90; 90; 90 | 3449.8 | Bhunia, Anup; Porwal, Digvijay; Gonnade, Rajesh G.; Biju, Akkattu T. Multicomponent reactions involving arynes, quinolines, and aldehydes. Organic letters, 2013, 15, 4620-4623 |
| 1512402 | CIF | C64 H60 Cu6 N8 O50 Si W12 | P b c a | 14.939; 23.406; 34.243 90; 90; 90 | 11973 | Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates Inorganica Chimica Acta, 2012, 390, 135-142 |
| 1512417 | CIF | C19 H16 Fe O3 | P b c a | 9.7943; 17.285; 17.4952 90; 90; 90 | 2961.8 | Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies Inorganica Chimica Acta, 2012, 390, 184-189 |
| 1512429 | CIF | C22 H16 N4 Ni O5 | P b c a | 17.4754; 12.7417; 18.2221 90; 90; 90 | 4057.4 | Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate Inorganica Chimica Acta, 2012, 392, 16-24 |
| 1512430 | CIF | C22 H16 Mn N4 O5 | P b c a | 17.5759; 13.2778; 18.1001 90; 90; 90 | 4224 | Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate Inorganica Chimica Acta, 2012, 392, 16-24 |
| 1512441 | CIF | C28 H38 Ag2 N4 O12 S2 | P b c a | 15.5; 8.5536; 25.822 90; 90; 90 | 3423.5 | Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties Inorganica Chimica Acta, 2012, 392, 38-45 |
| 1512448 | CIF | C15 H19 F12 N5 P2 | P b c a | 9.4018; 18.2059; 25.6928 90; 90; 90 | 4397.79 | Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies Inorganica Chimica Acta, 2012, 392, 61-72 |
| 1512647 | CIF | C6 H6 Cd1.5 N11 O | P b c a | 7.8449; 12.6638; 24.194 90; 90; 90 | 2403.6 | Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II) Inorganica Chimica Acta, 2012, 392, 417-427 |
| 1512657 | CIF | B2 Cd O5 Sr | P b c a | 12.01; 5.795; 12.677 90; 90; 90 | 882.3 | Jian Cao; Junyu Gao; Shilie Pan; Hongwei Yu; Wenwu Zhao; Zhihua Yang Synthesis, crystal structure and properties of a new strontium cadmium diborate Inorganica Chimica Acta, 2012, 392, 459-464 |
| 1512658 | CIF | C30 H33 Cl2 Cu N10 O8.5 | P b c a | 13.424; 22.054; 47.809 90; 90; 90 | 14154 | Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions Inorganica Chimica Acta, 2012, 392, 465-468 |
| 1512664 | CIF | C32 H27 Br Cl N2 P | P b c a | 10.836; 21.63; 23.468 90; 90; 90 | 5500 | Ian Mallov; Heather Spinney; Titel Jurca; Serge Gorelsky; Tara Burchell; Darrin Richeson The 2,2'-diindolylmethane dianion supporting scaffold for group 15 compounds Inorganica Chimica Acta, 2012, 392, 5-9 |
| 1512680 | CIF | C16 H26 Cl Cu N3 O5 | P b c a | 15.0967; 15.7021; 16.8468 90; 90; 90 | 3993.5 | Hamid Golchoubian; Ehsan Rezaee; Giuseppeh Bruno; Hadi Amiri Rudbari Syntheses of mixed chelate copper(II) complexes containing beta-ketoaminato and diamine ligands: Solvatochromism study Inorganica Chimica Acta, 2012, 393, 1-9 |
| 1512705 | CIF | C12 H17 Cl2 N O Pd Se | P b c a | 7.8485; 9.915; 38.212 90; 90; 90 | 2973.6 | Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction Inorganica Chimica Acta, 2012, 393, 77-84 |
| 1512707 | CIF | C12 H17 Cl2 N O Pd S | P b c a | 7.739; 9.812; 37.95 90; 90; 90 | 2881.7 | Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction Inorganica Chimica Acta, 2012, 393, 77-84 |
| 1512746 | CIF | C43 H57 N3 O2 Sr | P b c a | 15.9769; 18.674; 27.258 90; 90; 90 | 8132.5 | Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad Synthesis and characterization of the heavy alkaline earth aryloxide congeners Inorganica Chimica Acta, 2013, 394, 259-268 |
| 1512781 | CIF | C12 H18 Co3 N10 O12 P2 | P b c a | 6.9683; 14.1302; 22.426 90; 90; 90 | 2208.1 | Kari Darling; Jon Zubieta Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system Inorganica Chimica Acta, 2013, 394, 512-518 |
| 1512798 | CIF | C29 H27 Cl2 N4 P Ru S | P b c a | 11.22; 16.927; 30.679 90; 90; 90 | 5827 | Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole Inorganica Chimica Acta, 2013, 394, 583-590 |
| 1512799 | CIF | C29 H27 I2 N4 P Ru S | P b c a | 11.3207; 17.7526; 30.2606 90; 90; 90 | 6081.5 | Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole Inorganica Chimica Acta, 2013, 394, 583-590 |
| 1512843 | CIF | C26 H22 Cl2 Cu2 N8 O6 | P b c a | 16.524; 7.958; 21.913 90; 90; 90 | 2881.5 | Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies Inorganica Chimica Acta, 2013, 395, 1-10 |
| 1512862 | CIF | C14 H8 Fe N6 S6 | P b c a | 14.831; 15.8627; 16.9169 90; 90; 90 | 3979.9 | Anita Abedi; Vahid Amani; Roman Boca; Lubor Dlhan; Hamid Reza Khavasi; Nasser Safari Bis(isothiocyanato)iron(II) complexes with bithiazole ligands: Structure and magnetic studies Inorganica Chimica Acta, 2013, 395, 58-66 |
| 1512924 | CIF | C2 H22 Br3 La O9 | P b c a | 12.654; 12.9686; 19.864 90; 90; 90 | 3259.8 | Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre Structural characterization of methanol substituted lanthanum halides Polyhedron, 2010, 29, 1784-1795 |
| 1512932 | CIF | C20 H20 Br3 N4 Nd | P b c a | 16.998; 17.515; 32.617 90; 90; 90 | 9711 | Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre Structural characterization of methanol substituted lanthanum halides Polyhedron, 2010, 29, 1784-1795 |
| 1512963 | CIF | C8 H16 Ba N6 O2 S2 | P b c a | 10.9446; 13.11; 10.945 90; 90; 90 | 1570.4 | Wenjun Zheng; Dongming Yang 1,2,4-Triazolato barium complex: The layered polymeric planar structure with an nu2-nu2,nu1 bridging coordination Inorganica Chimica Acta, 2013, 396, 21-24 |
| 1512976 | CIF | C21 H19 N3 O4 Zn | P b c a | 11.8253; 17.268; 19.299 90; 90; 90 | 3940.8 | De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks Inorganica Chimica Acta, 2013, 396, 84-91 |
| 1513028 | CIF | C34 H51.12 Ag2 N12 O5.56 | P b c a | 17.8084; 18.8997; 24.4847 90; 90; 90 | 8240.9 | Jens Hunger Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands Inorganica Chimica Acta, 2013, 397, 60-68 |
| 1513043 | CIF | C8 H8 O3 | P b c a | 9.9537; 9.6632; 16.173 90; 90; 90 | 1555.6 | Ivanova, Bojidarka Matrixes in UV-MALDI Mass spectrometry crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods, 2012, 4, 2247 |
| 1513057 | CIF | C14 H20 Cl N O6 S | P b c a | 13.526; 15.045; 16.533 90; 90; 90 | 3364.4 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513080 | CIF | C14 H26 F6 N Na O10 S2 | P b c a | 13.5214; 16.1932; 22.1855 90; 90; 90 | 4857.6 | Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Phase diagrams and solvate structures of binary mixtures of glymes and na salts. The journal of physical chemistry. B, 2013, 117, 15072-15085 |
| 1513128 | CIF | C28 H25 Br O6 S2 | P b c a | 17.494; 10.8153; 27.104 90; 90; 90 | 5128.2 | Zheng, Jie; Huang, You; Li, Zhengming Phosphine-Catalyzed Domino Reaction: An Efficient Method for the Synthesis of Bicyclo[3.2.0]heptenes Skeleton. Organic letters, 2013, 15, 5758-5761 |
| 1513157 | CIF | C13 H15 N O5 | P b c a | 10.6801; 8.9717; 26.3836 90; 90; 90 | 2528.04 | Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B. Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates Organic Letters, 2013, 15, 6098 |
| 1513171 | CIF | C12 H2 N2 O | P b c a | 10.5942; 9.8494; 19.646 90; 90; 90 | 2050 | Ivanova, Bojidarka; Spiteller, Michael A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides Ecotoxicology and Environmental Safety, 2013, 91, 86-95 |
| 1513278 | CIF | C21 H16 B N Se | P b c a | 12.149; 15.807; 17.735 90; 90; 90 | 3405.8 | Tokoro, Yuichiro; Nagai, Atsushi; Kokado, Kenta; Chujo, Yoshiki Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain Macromolecules, 2009, 42, 2988 |
| 1513279 | CIF | C21 H16 B N S | P b c a | 12.08; 15.806; 17.537 90; 90; 90 | 3348.5 | Tokoro, Yuichiro; Nagai, Atsushi; Kokado, Kenta; Chujo, Yoshiki Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain Macromolecules, 2009, 42, 2988 |
| 1513497 | CIF | C59 H48 Cl4 N12 O4 | P b c a | 14.849; 12.95; 30.051 90; 90; 90 | 5779 | Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs. Organic letters, 2014, 16, 920-923 |
| 1513511 | CIF | C18 H10 F6 N2 | P b c a | 7.6857; 15.248; 28.403 90; 90; 90 | 3328.6 | Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo AgF-mediated fluorinative homocoupling of gem-difluoroalkenes. Organic letters, 2014, 16, 102-105 |
| 1513529 | CIF | C28 H28 N4 O8 Zn | P b c a | 11.6106; 9.0413; 24.953 90; 90; 90 | 2619.4 | Rana, Anup; Panda, Pradeepta K. β-Octamethoxyporphycenes. Organic letters, 2014, 16, 78-81 |
| 1513530 | CIF | C28 H30 N4 O9 | P b c a | 13.867; 12.856; 15.535 90; 90; 90 | 2769.5 | Rana, Anup; Panda, Pradeepta K. β-Octamethoxyporphycenes. Organic letters, 2014, 16, 78-81 |
| 1513531 | CIF | C28 H28 N4 O8 Pd | P b c a | 14.1047; 12.6047; 15.526 90; 90; 90 | 2760.3 | Rana, Anup; Panda, Pradeepta K. β-Octamethoxyporphycenes. Organic letters, 2014, 16, 78-81 |
| 1513551 | CIF | C28 H26 Cl2 O2 Pd2 S2 | P b c a | 18.1408; 15.6808; 19.7387 90; 90; 90 | 5614.9 | Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups. Organic letters, 2014, 16, 46-49 |
| 1513555 | CIF | C16 H10 Cl2 O | P b c a | 7.8959; 13.193; 25.493 90; 90; 90 | 2655.6 | Yuan, Weiming; Ma, Shengming Benzofuran derivatives from alkynyl-substituted benzynes and aryl halides. Organic letters, 2014, 16, 193-195 |
| 1513604 | CIF | C27 H22 Cl3 N6 O6 Ru | P b c a | 19.3405; 11.3692; 25.8709 90; 90; 90 | 5688.6 | Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts Catalysis Science & Technology, 2014, 4, 190 |
| 1513651 | CIF | C22 H35 P | P b c a | 9.7184; 11.6807; 35.4816 90; 90; 90 | 4027.79 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513667 | CIF | C14 H15 N3 O3 S | P b c a | 7.6612; 13.3624; 28.3524 90; 90; 90 | 2902.49 | Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V. Bimetallic catalysis in the highly enantioselective ring–opening reactions of aziridines Chemical Science, 2014, 5, 1102 |
| 1513694 | CIF | C9 H29 Al F3 N3 O4 | P b c a | 8.8131; 13.356; 26.551 90; 90; 90 | 3125.3 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
| 1513731 | CIF | C36 H33 B F6 N11 O6.5 Pd S2 | P b c a | 17.177; 19.182; 24.723 90; 90; 90 | 8146 | Brandt, Jochen R.; Lee, Eunsung; Boursalian, Gregory B.; Ritter, Tobias Mechanism of Electrophilic Fluorination with Pd(IV): Fluoride Capture and Subsequent Oxidative Fluoride Transfer(.) Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 169 |
| 1513737 | CIF | C57 H48 N8 O9 S4 Zn2 | P b c a | 22.486; 16.5586; 28.6689 90; 90; 90 | 10674.5 | Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris 3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents. Metallomics : integrated biometal science, 2014, 6, 249-262 |
| 1513741 | CIF | C13 H12 O3 | P b c a | 12.1889; 8.9564; 20.1062 90; 90; 90 | 2194.97 | Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris 3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents. Metallomics : integrated biometal science, 2014, 6, 249-262 |
| 1513759 | CIF | C27 H18 N2 | P b c a | 16.0572; 13.6979; 17.9652 90; 90; 90 | 3951.44 | Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223 |
| 1513794 | CIF | C21 H29 F5 Si3 | P b c a | 11.6307; 12.5277; 33.4761 90; 90; 90 | 4877.7 | Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units. Nature communications, 2014, 5, 3018 |
| 1513795 | CIF | C21 H31 F5 Si3 | P b c a | 11.6585; 12.5084; 33.328 90; 90; 90 | 4860.2 | Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units. Nature communications, 2014, 5, 3018 |
| 1513812 | CIF | C18 H17 F4 N O2 S | P b c a | 10.3289; 12.271; 27.811 90; 90; 90 | 3524.9 | Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines. Organic letters, 2014, 16, 1442-1445 |
| 1513948 | CIF | C8 H8 F3 N O2 S | P b c a | 7.968; 15.3; 16.954 90; 90; 90 | 2066.9 | Xie, Jin; Yuan, Xiangai; Abdukader, Ablimit; Zhu, Chengjian; Ma, Jing Visible-light-promoted radical C-h trifluoromethylation of free anilines. Organic letters, 2014, 16, 1768-1771 |
| 1514103 | CIF | Mn2 O3 | P b c a | 9.4118; 9.4177; 9.4233 90; 90; 90 | 835.26 | Norrestam, R. Alpha-manganese(III) oxide - a C-type sesquioxide of orthorhombic symmetry Acta Chemica Scandinavica (1-27,1973-42,1988), 1967, 21, 2871-2884 |
| 1514122 | CIF | C48 H38 N6 O5 | P b c a | 18.444; 15.948; 25.573 90; 90; 90 | 7522 | Nakano, Emi; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro Electrochemistry of photochromic [2.2]paracyclophane-bridged imidazole dimers: rational understanding of the electronic structures. The journal of physical chemistry. A, 2014, 118, 2288-2297 |
| 1514125 | CIF | C39 H48 Cl2 Fe P2 | P b c a | 13.4011; 21.5414; 48.6745 90; 90; 90 | 14051.3 | Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A, 2014, 118, 2316-2331 |
| 1514137 | CIF | C27 H35 Cl3 Fe N2 O | P b c a | 15.98; 14.393; 24.368 90; 90; 90 | 5604.6 | Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A. Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates Chemical Science, 2014, 5, 1526 |
| 1514202 | CIF | C18 H21 N3 O | P b c a | 15.5492; 10.0774; 19.0625 90; 90; 90 | 2987 | Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence. Organic letters, 2014, 16, 1844-1847 |
| 1514218 | CIF | C28 H28 O4 | P b c a | 16.8408; 14.2476; 19.6198 90; 90; 90 | 4707.6 | Zhu, Mengyun; Liu, Jinqian; Yu, Jianjun; Chen, Liangshun; Zhang, Chunmei; Wang, Limin AlCl3-Promoted Formal [2 + 3]-Cycloaddition of 1,1-Cyclopropane Diesters with N-Benzylic Sulfonamides To Construct Highly Stereoselective Indane Derivatives. Organic letters, 2014, 16, 1856-1859 |
| 1514247 | CIF | C18 H28 F3 Li N4 O6 | P b c a | 15.741; 16.454; 18.665 90; 90; 90 | 4834 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
| 1514256 | CIF | C20 H18 Cl N O4 S | P b c a | 9.8687; 12.9702; 29.514 90; 90; 90 | 3777.8 | He, Shuzhong; Hsung, Richard P; Presser, William R; Ma, Zhi-Xiong; Haugen, Bryan J An Approach to Cyclohepta[b]indoles through an Allenamide (4 + 3) Cycloaddition-Grignard Cyclization-Chugaev Elimination Sequence. Organic letters, 2014, 16, 2180-2183 |
| 1514295 | CIF | C37 H30 F3 N3 O3 Pt S | P b c a | 14.0939; 19.1285; 26.663 90; 90; 90 | 7188.2 | Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters Chemical Science, 2014, 5, 1875 |
| 1514318 | CIF | C22 H24 Mo N2 O4 | P b c a | 17.9132; 11.6738; 21.3034 90; 90; 90 | 4454.9 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
| 1514320 | CIF | C22 H24 N2 O4 W | P b c a | 17.8251; 11.6986; 21.3193 90; 90; 90 | 4445.7 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
| 1514329 | CIF | C15 H16 Cl2 O Pd S2 | P b c a | 8.117; 20.123; 20.541 90; 90; 90 | 3355 | Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling. Nanoscale, 2014, 6, 4588-4597 |
| 1514431 | CIF | C62 H44 Br4 N8 O7 | P b c a | 19.744; 19.587; 32.31 90; 90; 90 | 12495 | Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science, 2013, 4, 1765 |
| 1514486 | CIF | C18 H18 Cl D2 N3 O2 | P b c a | 18.9604; 9.3522; 19.2687 90; 90; 90 | 3416.8 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
| 1514487 | CIF | C19 H20 Cl D2 N3 O2 | P b c a | 19.2697; 9.5129; 19.6896 90; 90; 90 | 3609.3 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
| 1514488 | CIF | C18 H17 Cl D2 F N3 O2 | P b c a | 18.8845; 9.4266; 19.2915 90; 90; 90 | 3434.2 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
| 1514588 | CIF | C45 H58 Au N2 P | P b c a | 14.8187; 19.5498; 28.0267 90; 90; 90 | 8119.4 | 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 |
| 1514602 | CIF | C8 H15 F6 N2 P | P b c a | 9.3855; 9.7769; 26.717 90; 90; 90 | 2451.58 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
| 1514603 | CIF | C8 H15 F6 N2 P | P b c a | 9.4924; 9.8406; 26.8817 90; 90; 90 | 2511 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
| 1514625 | CIF | C59 H82 Mg2 N4 O S2 | P b c a | 14.86; 17.21; 45.3 90; 90; 90 | 11585 | 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 |
| 1514638 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.135; 21.331; 31.17 90; 90; 90 | 9398 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
| 1514639 | CIF | C42 H48 B2 F8 N10 Rh2 | P b c a | 14.338; 21.619; 31.136 90; 90; 90 | 9651 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
| 1514641 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.126; 21.399; 31.434 90; 90; 90 | 9502 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
| 1514644 | CIF | C20 H24 O2 | P b c a | 9.79459; 10.18235; 34.1007 90; 90; 90 | 3400.93 | Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science, 2013, 4, 2619 |
| 1514741 | CIF | C39 H63 Li N2 Zn | P b c a | 21.8628; 22.1892; 31.9347 90; 90; 90 | 15492.1 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
| 1514750 | CIF | C26 H22 B2 N2 O | P b c a | 10.6981; 14.3379; 26.3743 90; 90; 90 | 4045.5 | Dimitrijević, Elena; Taylor, Mark S. 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols Chemical Science, 2013, 4, 3298 |
| 1514761 | CIF | C13 H14 O3 | P b c a | 10.2738; 11.207; 19.0373 90; 90; 90 | 2191.93 | Farmer, Rebecca L.; Scheidt, Karl A. A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3304-3309 |
| 1514766 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 22.0395; 16.0165; 39.3819 90; 90; 90 | 13901.6 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
| 1514767 | CIF | C54 H62 Br6 Dy N9 O10 Zn2 | P b c a | 20.5186; 16.4699; 37.585 90; 90; 90 | 12701.4 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
| 1514768 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 21.893; 15.9613; 39.306 90; 90; 90 | 13735.1 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
| 1514789 | CIF | C31 H22 N2 | P b c a | 9.7242; 17.6641; 25.6425 90; 90; 90 | 4404.59 | Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics Chemical Science, 2013, 4, 3725 |
| 1514792 | CIF | C16 H14 Cl3 N O2 | P b c a | 9.7761; 14.7382; 24.0669 90; 90; 90 | 3467.6 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C–H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
| 1514808 | CIF | C6 H13 Cl2 N2 P | P b c a | 7.768; 12.985; 19.423 90; 90; 90 | 1959.1 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
| 1514813 | CIF | C5 H10 Cl4 N2 Si | P b c a | 12.8424; 12.65; 13.2356 90; 90; 90 | 2150.21 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent – synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
| 1514886 | CIF | C24 H29 N5 O2 | P b c a | 12.5135; 8.2914; 41.841 90; 90; 90 | 4341.2 | Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick Latent catalysts based on guanidine templates for polyurethane synthesis Polymer Chemistry, 2013, 4, 904 |
| 1514897 | CIF | C34 H56 O2 Zn2 | P b c a | 17.7224; 9.6794; 19.248 90; 90; 90 | 3301.8 | Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization Polymer Chemistry, 2013, 4, 4718 |
| 1514905 | CIF | C12 H16 N4 O8 S Zn | P b c a | 9.1328; 9.0544; 39.49 90; 90; 90 | 3265.5 | Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S. Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands The Journal of Physical Chemistry C, 2014, 118, 9217 |
| 1514949 | CIF | C32 H26 O2 Si | P b c a | 21.7477; 13.4689; 35.5044 90; 90; 90 | 10399.9 | Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science, 2012, 3, 549 |
| 1514991 | CIF | C37 H57 Ni P3 Si | P b c a | 16.1008; 16.9634; 25.931 90; 90; 90 | 7082.4 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1514994 | CIF | C69 H66 B Cl F24 Ni O P3 Si | P b c a | 26.3375; 19.5435; 27.2078 90; 90; 90 | 14004.6 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1515112 | CIF | C22.5 H27.5 Br2 Cl4.5 N2 | P b c a | 28.784; 28.621; 13.801 90; 90; 90 | 11370 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
| 1515140 | CIF | C12 H8 D4 Fe | P b c a | 7.3925; 12.3693; 19.4209 90; 90; 90 | 1775.85 | Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830 |
| 1515290 | CIF | C27 H23 Cl N3 O P Pd S | P b c a | 7.7387; 24.7405; 27.364 90; 90; 90 | 5239.1 | Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes. Metallomics : integrated biometal science, 2012, 4, 218-227 |
| 1515312 | CIF | C25 H17 N O2 | P b c a | 12.847; 8.845; 32.399 90; 90; 90 | 3682 | Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K. Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2012, 11, 1239-1250 |
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