Crystallography Open Database
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Searching year of publication is 2013
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7238825 | CIF | C13 H9 Br N2 O2 | A 1 2 1 | 10.6408; 16.2706; 7.5669 90; 110.783; 90 | 1224.83 | Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure CrystEngComm, 2013, 15, 2474 |
7238826 | CIF | C13 H9 Br N2 O2 | A 1 2 1 | 10.5217; 16.2535; 7.4403 90; 110.709; 90 | 1190.2 | Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure CrystEngComm, 2013, 15, 2474 |
1512309 | CIF | C44 H29 N5 | A b a 2 | 22.3172; 27.4649; 15.9655 90; 90; 90 | 9785.9 | Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes Organic Letters, 2013, 15, 4694 |
1516824 | CIF | C26 H20 Cu N6 O4 | A b a 2 | 12.576; 17.8297; 10.7632 90; 90; 90 | 2413.39 | Satyajit Mondal; Sumita Naskar; Ayan Kumar Dey; Ekkehard Sinn; Carla Eribal; Steven R. Herron; Shyamal Kumar Chattopadhyay Mononuclear and binuclear Cu(II) complexes of some tridentate aroyl hydrazones. X-ray crystal structures of a mononuclear and a binuclear complex Inorganica Chimica Acta, 2013, 398, 98-105 |
2237143 | CIF HKL Paper | C20 H20 N2 O2 | A b a 2 | 13.1537; 31.0875; 8.3175 90; 90; 90 | 3401.2 | Novina, J. Josephine; Vasuki, G.; Muthukumar, C.; Sabastiyan, A.; Crochet, A.; Fromm, K. M. 7-[(Morpholin-4-yl)(phenyl)methyl]quinolin-8-ol Acta Crystallographica Section E, 2013, 69, o45 |
2238283 | CIF HKL Paper | C22 H54 Cl N O4 S Sn2 | A b a 2 | 27.2051; 20.4336; 11.437 90; 90; 90 | 6357.8 | Diop, Tidiane; van der Lee, Arie; Sidibé, Mamadou Poly[tetrabutylammonium [chloridohexamethyl-μ~3~-sulfato-distannate(IV)]] Acta Crystallographica Section E, 2013, 69, m406-m407 |
4028383 | CIF | C30 H32 N4 O3 | A b a 2 | 17.2631; 35.327; 8.9843 90; 90; 90 | 5479.1 | Shokoofeh Maghari; Sorour Ramezanpour; Saeed Balalaie; Fatemeh Darvish; Frank Rominger; Hamid Reza Bijanzadeh Synthesis of Functionalized Pseudopeptides through Five-Component Sequential Ugi/Nucleophilic Reaction of N-Substituted 2-Alkynamides with Hydrazides Journal of Organic Chemistry, 2013, 78, 6450-6456 |
4028507 | CIF | C23 H19 N | A b a 2 | 13.2591; 25.5247; 10.0154 90; 90; 90 | 3389.56 | Keith Ramig; Edyta M. Greer; David J. Szalda; Sasan Karimi; Allen Ko; Laura Boulos; Jiansan Gu; Nathan Dvorkin; Hema Bhramdat; Gopal Subramaniam NMR Spectroscopic and Computational Study of Conformational Isomerism in Substituted 2-Aryl-3H-1-benzazepines: Toward Isolable Atropisomeric Benzazepine Enantiomers Journal of Organic Chemistry, 2013, 78, 8028-8036 |
4079875 | CIF | C8 H10 Ag3 N4 O6 | A b a 2 | 8.2733; 14.2973; 23.5083 90; 90; 90 | 2780.7 | Hu, Ting; Mak, Thomas C. W. Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions Organometallics, 2013, 32, 202 |
4080623 | CIF | C23 H28 N4 | A b a 2 | 15.1461; 16.6023; 7.776 90; 90; 90 | 1955.35 | Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities Organometallics, 2013, 32, 2435 |
4081101 | CIF | C12 H18.5 Co0.5 I N O2.5 | A b a 2 | 8.975; 17.704; 18.027 90; 90; 90 | 2864.4 | Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands Organometallics, 2013, 32, 3980 |
4333584 | CIF | C73 H133 Mn9 O35 | A b a 2 | 20.555; 68.895; 21.549 90; 90; 90 | 30516 | Shreya Mukherjee; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou Comproportionation Reactions to Manganese(III/IV) Pivalate Clusters: A New Half-Integer Spin Single-Molecule Magnet Inorganic Chemistry, 2013, 52, 873-884 |
4334484 | CIF | C10 H27 Cl F6 N3 O2 P Ru S2 | A b a 2 | 14.7124; 15.6131; 17.1848 90; 90; 90 | 3947.5 | Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II) Inorganic Chemistry, 2013, 52, 4517-4527 |
4336625 | CIF | C78 H50 Ce N2 O18 | A b a 2 | 35.7507; 16.3257; 13.1559 90; 90; 90 | 7678.5 | Yan-Ping He; Yan-Xi Tan; Jian Zhang Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Series of Lanthanide-Organic Frameworks Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand Inorganic Chemistry, 2013, 52, 12758-12762 |
4507431 | CIF | C192 H144 Cu4 N28 O12 | A b a 2 | 26.531; 29.2825; 21.2848 90; 90; 90 | 16536 | He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity ACS Catalysis, 2013, 3, 1 |
4508601 | CIF | C50 H50 N8 Ni O8 | A b a 2 | 19.562; 15.8621; 15.3525 90; 90; 90 | 4763.8 | Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties Crystal Growth & Design, 2013, 13, 5487 |
7021303 | CIF | C31 H22 Cl3 Cu2 N6 O2 S2 | A b a 2 | 20.618; 32.001; 9.7898 90; 90; 90 | 6459.3 | Majouga, Alexander G.; Beloglazkina, Elena K.; Moiseeva, Anna A.; Shilova, Olga V.; Manzheliy, Eugeniy A.; Lebedeva, Maria A.; Davies, E. Stephen; Khlobystov, Andrei N.; Zyk, Nikolay V. Cleavage of the C-S bond with the formation of a binuclear copper complex with 2-thiolato-3-phenyl-5-(pyridine-2-ylmethylene)-3,5-dihydro-4H-imidazole-4-one. A new mimic of the active site of N2O reductase. Dalton transactions (Cambridge, England : 2003), 2013, 42, 6290-6293 |
7022753 | CIF | C30 H18 Co N2 O6 | A b a 2 | 19.559; 14.772; 8.378 90; 90; 90 | 2420.6 | Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B. Cobalt lawsone complexes: searching for new valence tautomers. Dalton transactions (Cambridge, England : 2003), 2013, 42, 5462-5470 |
7022944 | CIF | C111 H95.5 Cl8 Mn4 N26.5 O34 | A b a 2 | 18.5171; 30.0858; 23.2151 90; 90; 90 | 12933.2 | Wałęsa-Chorab, Monika; Kubicki, Maciej; Korabik, Maria; Patroniak, Violetta Novel self-assembled supramolecular architectures of Mn(II) ions with a hybrid pyrazine-bipyridine ligand. Dalton transactions (Cambridge, England : 2003), 2013, 42, 9746-9754 |
7053076 | CIF | C30 H18 Co N2 O6 | A b a 2 | 19.554; 14.761; 8.3825 90; 90; 90 | 2419.5 | Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A. Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand New Journal of Chemistry, 2013, 37, 2303 |
7053080 | CIF | C30 H18 N2 O6 Zn | A b a 2 | 19.6716; 14.8036; 8.3806 90; 90; 90 | 2440.5 | Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A. Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand New Journal of Chemistry, 2013, 37, 2303 |
7109152 | CIF | C18 H12 Be N2 O2 S2 | A b a 2 | 10.2336; 14.137; 11.2663 90; 90; 90 | 1629.9 | Chan Seok Oh; Chil Won Lee; Jun Yeob Lee Simple heteroatom engineering for tuning the triplet energy of organometallic host materials for red, green and blue phosphorescent organic light-emitting diodes Chem.Commun., 2013, 49, 3875 |
7109556 | CIF | C38 H26 B F10 P | A b a 2 | 31.8747; 21.7074; 9.5693 90; 90; 90 | 6621.2 | Olga Ekkert; Ottmar Tuschewitzki; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker Reaction of strongly electrophilic alkenylboranes with phosphanylalkynes: rare examples of intermolecular 1,1-alkenylboration reactions Chem.Commun., 2013, 49, 6992 |
7109919 | CIF | C21 H20 O5 | A b a 2 | 30.6554; 15.1602; 8.7821 90; 90; 90 | 4081.4 | Yu-Ying Ye; Ping-Xin Zhou; Jian-Yi Luo; Mei-Jin Zhong; Yong-Min Liang Palladium-catalyzed insertion of alpha,beta-unsaturated N-tosylhydrazones and trapping with carbon nucleophiles Chem.Commun., 2013, 49, 10190 |
7153062 | CIF | C56 H88 Cu4 Fe2 N4 P4 S4 | A b a 2 | 32.8531; 32.0553; 21.088 90; 90; 90 | 22208.1 | Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P. A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides. Dalton transactions (Cambridge, England : 2003), 2013, 42, 12849-12852 |
7153063 | CIF | C56 H88 Cu4 Fe2 N4 P4 S4 | A b a 2 | 32.822; 32.088; 21.1255 90; 90; 90 | 22249 | Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P. A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides. Dalton transactions (Cambridge, England : 2003), 2013, 42, 12849-12852 |
7210104 | CIF | C6 H8 Mn N10 O2 | A b a 2 | 9.3707; 12.181; 9.1857 90; 90; 90 | 1048.5 | Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries CrystEngComm, 2013, 15, 4830 |
7022658 | CIF | C2 H8 Hg3 N Sb3 Se8 | A b m 2 | 11.3895; 15.5501; 11.2968 90; 90; 90 | 2000.75 | Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework. Dalton transactions (Cambridge, England : 2003), 2013, 42, 5454-5461 |
4334168 | CIF | C41 H45 N3 O5 P2 | A e a 2 | 22.2182; 15.4755; 10.8569 90; 90; 90 | 3733 | Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms Inorganic Chemistry, 2013, 52, 3063-3083 |
4334169 | CIF | C41 H45 N3 O5 P2 | A e a 2 | 22.2568; 15.4841; 10.8479 90; 90; 90 | 3738.5 | Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms Inorganic Chemistry, 2013, 52, 3063-3083 |
7239206 | CIF | C21 H19 N3 O2 | A e a 2 | 7.166; 40.204; 6.3427 90; 90; 90 | 1827.3 | Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken Recognition between V- and dumbbell-shaped molecules RSC Advances, 2013, 3, 26382 |
7702900 | CIF | C12 H24 Cl6 Fe O4 S2 Sc | A e m 2 | 16.15; 64.37; 11.3327 90; 90; 90 | 11781 | Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination. Dalton transactions (Cambridge, England : 2003), 2013, 42, 13179-13189 |
2019161 | CIF HKL Paper | C24 H40 B In N6 | A m a 2 | 16.6414; 15.8504; 10.3779 90; 90; 90 | 2737.4 | Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands Acta Crystallographica Section C, 2013, 69, 963-967 |
4089612 | CIF | C12 H8 O7 W | A m a 2 | 7.6044; 12.0731; 14.8012 90; 90; 90 | 1358.88 | Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials Organometallics, 2013, 32, 5491 |
4335929 | CIF | C15 H40 Ge11 N3 O25.5 | A m a 2 | 37.82959; 15.24373; 12.83659 90; 90; 90 | 7402.4 | Yan Xu; Leifeng Liu; Daniel M. Chevrier; Junliang Sun; Peng Zhang; Jihong Yu Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm Inorganic Chemistry, 2013, 52, 10238-10244 |
4507351 | CIF | C11 H6 Br N2 O5 Zn | A m a 2 | 12.8977; 8.1974; 11.2059 90; 90; 90 | 1184.77 | Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand Crystal Growth & Design, 2013, 13, 367 |
4335084 | CIF | Ag2 Nb3 S6 Te | A m m 2 | 8.8215; 9.903; 5.719 90; 90; 90 | 499.61 | Sandy L. Nguyen; Christos D. Malliakas; Melanie C. Francisco; Mercouri G. Kanatzidis Lattice-Matched Transition Metal Disulfide Intergrowths: The Metallic Conductors Ag2Te(MS2)3 (M = V, Nb) Inorganic Chemistry, 2013, 52, 6520-6532 |
4335633 | CIF | C H5 I3 N2 Sn | A m m 2 | 6.3286; 8.9554; 8.9463 90; 90; 90 | 507.03 | Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Inorganic Chemistry, 2013, 52, 9019-9038 |
1562799 | CIF | Bi0.67 La0.67 O4 Ti | B 2 e b | 5.4182; 5.41048; 32.9798 90; 90; 90 | 966.8 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562800 | CIF | Bi0.67 La0.33 Nd0.33 O4 Ti | B 2 e b | 5.40644; 5.39783; 32.8972 90; 90; 90 | 960.04 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562801 | CIF | Bi0.67 La0.33 O4 Pr0.33 Ti | B 2 e b | 5.4077; 5.4011; 32.9211 90; 90; 90 | 961.54 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562802 | CIF | Bi0.67 Nd0.67 O4 Ti | B 2 e b | 5.38744; 5.38468; 32.8051 90; 90; 90 | 951.66 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562803 | CIF | Bi0.67 O4 Pr0.67 Ti | B 2 e b | 5.39475; 5.3931; 32.858 90; 90; 90 | 955.98 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562804 | CIF | Bi0.67 Nd0.33 O4 Pr0.33 Ti | B 2 e b | 5.3924; 5.3884; 32.8298 90; 90; 90 | 953.92 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562805 | CIF | Bi0.17 Nb0.17 O Sr0.17 Ti0.08 | B 2 e b | 5.50595; 5.50916; 33.20309 90; 90; 90 | 1007.15 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562806 | CIF | Ba0.04 Bi0.17 Nb0.17 O Sr0.13 Ti0.08 | B 2 e b | 5.52168; 5.52725; 33.48115 90; 90; 90 | 1021.83 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562807 | CIF | Ba0.04 Bi0.17 O Sr0.12 Ta0.17 Ti0.08 | B 2 e b | 5.5251; 5.5252; 33.44076 90; 90; 90 | 1020.86 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562808 | CIF | Bi0.17 Ca0.04 Nb0.17 O Sr0.13 Ti0.08 | B 2 e b | 5.48102; 5.47557; 33.0644 90; 90; 90 | 992.32 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562809 | CIF | Ba0.08 Bi0.17 Nb0.17 O Sr0.09 Ti0.08 | B 2 e b | 5.5445; 5.5441; 33.65056 90; 90; 90 | 1034.4 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562810 | CIF | Ba0.08 Bi0.17 O Sr0.08 Ta0.17 Ti0.08 | B 2 e b | 5.5418; 5.5421; 33.596 90; 90; 90 | 1031.84 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562811 | CIF | Bi0.17 Ca0.08 Nb0.17 O Sr0.08 Ti0.08 | B 2 e b | 5.47261; 5.46984; 33.0398 90; 90; 90 | 989.02 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1562812 | CIF | Bi0.17 Ca0.08 O Sr0.08 Ta0.17 Ti0.08 | B 2 e b | 5.4791; 5.4779; 33.011 90; 90; 90 | 990.8 | Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T. Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides Journal of Solid State Chemistry, 2013, 197, 475-482 |
1556998 | CIF | Al Ca0.01 K0.01 Na1.01 O8 Si2.98 | C -1 | 8.133; 12.81; 7.171 94.1; 116.59; 87.79 | 666.4 | Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H. Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : albite sample 16 American Mineralogist, 2013, 98, 41-52 |
1556999 | CIF | Al0.99 Fe0.01 K0.01 Na1.02 O8 Si2.99 | C -1 | 8.166; 12.845; 7.188 94.24; 116.59; 87.715 | 672.4 | Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H. Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : albite sample 45 American Mineralogist, 2013, 98, 41-52 |
1557000 | CIF | Al K0.86 Na0.17 O8 Si2.99 | C -1 | 8.598; 12.97; 7.2 90.029; 116.137; 89.498 | 720.8 | Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H. Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : K-feldspar sample 16 American Mineralogist, 2013, 98, 41-52 |
1557001 | CIF | Al0.99 K Na0.04 O8 Si3 | C -1 | 8.585; 12.979; 7.2282 90.512; 115.914; 87.711 | 723.8 | Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H. Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : K-feldspar sample 45 American Mineralogist, 2013, 98, 41-52 |
1557942 | CIF | Al2 Ca O8 Si2 | C -1 | 8.152; 12.917; 7.126 93.26; 116.37; 88.72 | 671.2 | Wadoski-Romeijn, E.; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure American Mineralogist, 2013, 98, 1988-1997 |
9016972 | CIF | Al Ca0.5 O4 Si | C -1 | 8.152; 12.917; 7.126 93.26; 116.37; 88.72 | 671.192 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 350 C, Path 2, synthesised from gismondine American Mineralogist, 2013, 98, 1988-1997 |
9017412 | CIF | C Ca O3 | C 1 | 12.353; 7.102; 25.733 90.46; 99.78; 90.24 | 2224.67 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
9017413 | CIF | C Ca O3 | C 1 | 12.358; 7.106; 25.741 90.43; 99.88; 90.29 | 2226.84 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
1508864 | CIF | C25 H25 N3 O3 | C 1 2 1 | 21.033; 9.9868; 10.2026 90; 102.928; 90 | 2088.8 | Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the "inside yohimbane" system with five contiguous stereogenic centers. Organic letters, 2013, 15, 468-471 |
1508931 | CIF | C21 H13 Cl4 N2 O3 | C 1 2 1 | 26.5331; 8.0048; 9.7571 90; 97.575; 90 | 2054.25 | Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C. Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp. Organic letters, 2013, 15, 988-991 |
1511860 | CIF | C22 H17 Br N4 O4 S | C 1 2 1 | 30.977; 6.0722; 11.0436 90; 91.291; 90 | 2076.8 | Liu, Xiong-Li; Han, Wen-Yong; Zhang, Xiao-Mei; Yuan, Wei-Cheng Highly efficient and stereocontrolled construction of 3,3'-pyrrolidonyl spirooxindoles via organocatalytic domino Michael/cyclization reaction. Organic letters, 2013, 15, 1246-1249 |
1511918 | CIF | C16 H11 Cl O7 | C 1 2 1 | 17.187; 7.3498; 23.976 90; 101.984; 90 | 2962.7 | Suzuki, Takahiro; Miyajima, Yuria; Suzuki, Kaname; Iwakiri, Kanako; Koshimizu, Masaki; Hirai, Go; Sodeoka, Mikiko; Kobayashi, Susumu Unexpected Diels-Alder/Carbonyl-ene Cascade toward the Biomimetic Synthesis of Chloropupukeananin. Organic letters, 2013, 15, 1748-1751 |
1511922 | CIF | C19 H19 F3 N2 O4 S | C 1 2 1 | 23.483; 6.302; 13.176 90; 105.776; 90 | 1876.47 | Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides. Organic letters, 2013, 15, 1922-1925 |
1512053 | CIF | C36 H52 N4 O5 | C 1 2 1 | 26.4401; 22.3692; 18.4184 90; 131.651; 90 | 8139.7 | Feng, Juhua; Fu, Xuan; Chen, Zhenling; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming Efficient enantioselective synthesis of dihydropyrans using a chiral n,n'-dioxide as organocatalyst. Organic letters, 2013, 15, 2640-2643 |
1512078 | CIF | C25 H43.5 O1.75 | C 1 2 1 | 29.5357; 15.7962; 20.0056 90; 96.313; 90 | 9277.05 | Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242 Organic Letters, 2013, 15, 2522 |
1512143 | CIF | C17 H31 N3 O5 | C 1 2 1 | 19.4525; 6.8143; 14.9925 90; 90.914; 90 | 1987.08 | Cong, Hai-Jian; Zhang, Shu-Wei; Shen, Yu; Zheng, Yong; Huang, Yu-Jie; Wang, Wen-Qiong; Leng, Ying; Xuan, Li-Jiang Guanidine Alkaloids from Plumbago zeylanica. Journal of natural products, 2013, 76, 1351-1357 |
1512269 | CIF | C27 H36 N2 O5 | C 1 2 1 | 44.5917; 9.6204; 37.0616 90; 122.453; 90 | 13416.1 | Silber, Johanna; Ohlendorf, Birgit; Labes, Antje; Näther, Christian; Imhoff, Johannes F. Calcaripeptides a-C, cyclodepsipeptides from a calcarisporium strain. Journal of natural products, 2013, 76, 1461-1467 |
1512326 | CIF | C21 H22 N2 O3 | C 1 2 1 | 18.664; 8.2652; 12.1851 90; 97.374; 90 | 1864.1 | Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones. Organic letters, 2013, 15, 4524-4527 |
1512563 | CIF | C25 H34 Cl N3 O | C 1 2 1 | 27.139; 8.776; 23.632 90; 123.81; 90 | 4677 | Jones, Brian T.; Hu, Dennis X.; Savoie, Brett M.; Thomson, Regan J. Elimination of butylcycloheptylprodigiosin as a known natural product inspired by an evolutionary hypothesis for cyclic prodigiosin biosynthesis. Journal of natural products, 2013, 76, 1937-1945 |
1512589 | CIF | C35 H51 N3 O12 Si2 | C 1 2 1 | 23.9112; 6.492; 26.346 90; 95.462; 90 | 4071.2 | Pullin, Robert D. C.; Rathi, Akshat H.; Melikhova, Ekaterina Y.; Winter, Christian; Thompson, Amber L.; Donohoe, Timothy J. Tethered Aminohydroxylation: Synthesis of the β-Amino Acid of Microsclerodermins A and B. Organic letters, 2013, 15, 5492-5495 |
1512815 | CIF | C28 H20 Co N8 O12 | C 1 2 1 | 22.432; 6.2562; 11.1 90; 99.851; 90 | 1534.8 | Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties Inorganica Chimica Acta, 2013, 394, 715-722 |
1512973 | CIF | C31 H39 Cl Cu2 N4 O8 | C 1 2 1 | 13.452; 17.648; 7.421 90; 108.58; 90 | 1669.9 | Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand Inorganica Chimica Acta, 2013, 396, 66-71 |
1513111 | CIF | C22 H22 N4 O6 | C 1 2 1 | 14.897; 6.8317; 20.38 90; 102.13; 90 | 2027.8 | Zhang, Hongbo; Ning, Xin; Hang, Hang; Ru, Xuyan; Li, Haichen; Li, Yonghong; Wang, Lizhong; Zhang, Xiao; Yu, Shujing; Qiao, Yuanyuan; Wang, Xin; Wang, Peng George Total Synthesis of Thaxtomin A and Its Stereoisomers and Findings of Their Biological Activities Organic Letters, 2013, 15, 5670 |
1513124 | CIF | C30 H33 Cl N2 O3 S | C 1 2 1 | 37.404; 6.7314; 10.8232 90; 90.249; 90 | 2725.1 | Xu, Qing-Long; Zhuo, Chun-Xiang; Dai, Li-Xin; You, Shu-Li Highly Enantioselective Synthesis of TetrahydrocarbolinesviaIridium-Catalyzed Intramolecular Friedel‒Crafts Type Allylic Alkylation Reactions Organic Letters, 2013, 15, 5909 |
1513183 | CIF | C68 H76.75 Cd5 Cl4 N36 O29.5 | C 1 2 1 | 45.815; 13.88; 16.375 90; 106.948; 90 | 9961 | Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; James A. Golen; Arnold L. Rheingold; Susanta Kumar Kar A rare pentanuclear cadmium(II) complex and two new mononuclear zinc(II) complexes of pyrazole derived ditopic ligands - Synthesis, crystal structures and spectral studies Inorganica Chimica Acta, 2013, 397, 144-151 |
1513222 | CIF | C29 H44 O11 | C 1 2 1 | 20.3979; 9.6961; 16.0481 90; 99.429; 90 | 3131.11 | Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax Journal of Natural Products, 2013, 76, 2210 |
1513232 | CIF | C13 H10 I N O3 | C 1 2 1 | 20.2766; 11.0112; 13.5295 90; 123.314; 90 | 2524.3 | Murata, Yusuke; Takahashi, Masaki; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi Construction of Spiro-Fused 2-Oxindole/α-Methylene- γ-Butyrolactone Systems with Extremely High Enantioselectivity via Indium-Catalyzed Amide Allylation of N-Methyl Isatin. Organic letters, 2013, 15, 6182-6185 |
1514679 | CIF | C13 H13 Cl3 I N O2 | C 1 2 1 | 25.646; 6.3769; 10.8278 90; 112.766; 90 | 1632.8 | Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N. Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates. Chemical sciences journal, 2013, 4, 2100 |
1514694 | CIF | C19 H22 Br N O4 | C 1 2 1 | 28.468; 6.5087; 10.903 90; 101.161; 90 | 1982 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514746 | CIF | C18 H17 F3 O2 | C 1 2 1 | 19.358; 9.419; 8.186 90; 90.979; 90 | 1492.4 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514871 | CIF | C114.75 H48.75 Cl0.75 N4 Ni Sm | C 1 2 1 | 25.082; 14.877; 19.229 90; 93.881; 90 | 7159 | Xu, Wei; Hao, Yajuan; Uhlik, Filip; Shi, Zujin; Slanina, Zdenêk; Feng, Lai Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species. Nanoscale, 2013, 5, 10409-10413 |
1517621 | CIF | C26 H24 Cu2 N14 O8 | C 1 2 1 | 15.4005; 15.4356; 13.3294 90; 92.652; 90 | 3165.2 | Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]- Inorganica Chimica Acta, 2013, 403, 120-126 |
1547388 | CIF | C30 H57 Au Cl O3 P | C 1 2 1 | 19.461; 9.2739; 20.008 90; 112.325; 90 | 3340.4 | Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012 |
1551334 | CIF | C19 H21 Br O10 | C 1 2 1 | 28.107; 6.679; 13.398 90; 117.776; 90 | 2225.4 | Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath A multistep single-crystal-to-single-crystal bromodiacetylene dimerization Nature Chemistry, 2013, 5, 327-334 |
1551335 | CIF | C19 H21 Br O10 | C 1 2 1 | 28.5038; 6.6628; 13.4137 90; 117.232; 90 | 2265.1 | Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath A multistep single-crystal-to-single-crystal bromodiacetylene dimerization Nature Chemistry, 2013, 5, 327-334 |
1552064 | CIF | C18 H22 Br N O6 | C 1 2 1 | 25.835; 10.3517; 7.2252 90; 102.657; 90 | 1885.3 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
1562641 | CIF | C32 H14 Cd3 N2 O27 | C 1 2 1 | 19.0173; 7.3088; 18.6844 90; 117.511; 90 | 2303.3 | Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid Journal of Solid State Chemistry, 2013, 202, 250-256 |
1562729 | CIF | Al1.65 F2 Mg3 Na1.65 O13 Si2.35 | C 1 2 1 | 5.352; 9.27; 12.145 90; 98.35; 90 | 596.2 | Kalo, Hussein; Milius, Wolfgang; Bräu, Michael; Breu, Josef Synthesis and single crystal structure refinement of the one-layer hydrate of sodium brittle mica Journal of Solid State Chemistry, 2013, 198, 57-64 |
2018776 | CIF HKL Paper | C20 H34 Ag2 N6 O13 S2 | C 1 2 1 | 21.8568; 8.0321; 16.8886 90; 99.337; 90 | 2925.6 | Altaf, Muhammad; Stoeckli-Evans, Helen Chiral one- and two-dimensional silver(I)‒biotin coordination polymers Acta Crystallographica Section C, 2013, 69, 127-137 |
2018801 | CIF HKL Paper | C6 H19 Cl2 N6 O9.5 Pt S2 | C 1 2 1 | 30.515; 8.3572; 7.443 90; 96.507; 90 | 1885.9 | Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine) Acta Crystallographica Section C, 2013, 69, 146-149 |
2018954 | CIF HKL Paper | C14 H21 N3 O12 S2 | C 1 2 1 | 18.7682; 5.0027; 21.2122 90; 101.99; 90 | 1948.2 | Smith, Graham; Wermuth, Urs D. Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate Acta Crystallographica Section C, 2013, 69, 534-537 |
2019078 | CIF HKL Paper | C24 H16 N2 O4 Pb | C 1 2 1 | 15.9945; 6.7767; 9.502 90; 104.795; 90 | 995.77 | Guo, Yi-Ping; Wang, Hui; Li, Guo-Ting Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)] Acta Crystallographica Section C, 2013, 69, 872-875 |
2019189 | CIF Paper | Cs2.91 Fe3.25 H16 Na1.34 O33 S6 | C 1 2 1 | 17.183; 9.482; 20.058 90; 110.42; 90 | 3062.7 | Mereiter, Kurt Cs~2.91~Na~1.34~Fe^3+^~0.25~[Fe~3~O(SO~4~)~6~(H~2~O)~3~]·5H~2~O, a member of the Maus's salt family Acta Crystallographica Section C, 2013, 69, 1085-1090 |
2105443 | CIF HKL Paper | C80.75 H175.5 O82.25 | C 1 2 1 | 28.7452; 27.0276; 15.7252 90; 95.827; 90 | 12154 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105444 | CIF HKL Paper | C79.46 H120.12 O73.55 | C 1 2 1 | 28.725; 27.195; 15.838 90; 95.92; 90 | 12306 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105445 | CIF HKL Paper | C78.5 H86.4 O73.2 | C 1 2 1 | 28.712; 27.267; 15.79 90; 95.4; 90 | 12307 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105942 | CIF HKL Paper | C80.75 H175.5 O82.25 | C 1 2 1 | 28.7452; 27.0276; 15.7252 90; 95.827; 90 | 12154 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105943 | CIF HKL | C79.46 H120.12 O73.55 | C 1 2 1 | 28.725; 27.195; 15.838 90; 95.92; 90 | 12306 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
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