Crystallography Open Database

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7238825 CIFC13 H9 Br N2 O2A 1 2 110.6408; 16.2706; 7.5669
90; 110.783; 90
1224.83Subashini, 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 CIFC13 H9 Br N2 O2A 1 2 110.5217; 16.2535; 7.4403
90; 110.709; 90
1190.2Subashini, 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 CIFC44 H29 N5A b a 222.3172; 27.4649; 15.9655
90; 90; 90
9785.9Leung, 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 CIFC26 H20 Cu N6 O4A b a 212.576; 17.8297; 10.7632
90; 90; 90
2413.39Satyajit 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 O2A b a 213.1537; 31.0875; 8.3175
90; 90; 90
3401.2Novina, 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 Sn2A b a 227.2051; 20.4336; 11.437
90; 90; 90
6357.8Diop, Tidiane; van der Lee, Arie; Sidibé, Mamadou
Poly[tetrabutylammonium [chloridohexamethyl-μ~3~-sulfato-distannate(IV)]]
Acta Crystallographica Section E, 2013, 69, m406-m407
4028383 CIFC30 H32 N4 O3A b a 217.2631; 35.327; 8.9843
90; 90; 90
5479.1Shokoofeh 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 CIFC23 H19 NA b a 213.2591; 25.5247; 10.0154
90; 90; 90
3389.56Keith 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 CIFC8 H10 Ag3 N4 O6A b a 28.2733; 14.2973; 23.5083
90; 90; 90
2780.7Hu, 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 CIFC23 H28 N4A b a 215.1461; 16.6023; 7.776
90; 90; 90
1955.35Chen, 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 CIFC12 H18.5 Co0.5 I N O2.5A b a 28.975; 17.704; 18.027
90; 90; 90
2864.4Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao
NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands
Organometallics, 2013, 32, 3980
4333584 CIFC73 H133 Mn9 O35A b a 220.555; 68.895; 21.549
90; 90; 90
30516Shreya 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 CIFC10 H27 Cl F6 N3 O2 P Ru S2A b a 214.7124; 15.6131; 17.1848
90; 90; 90
3947.5Aimee 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 CIFC78 H50 Ce N2 O18A b a 235.7507; 16.3257; 13.1559
90; 90; 90
7678.5Yan-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 CIFC192 H144 Cu4 N28 O12A b a 226.531; 29.2825; 21.2848
90; 90; 90
16536He, 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 CIFC50 H50 N8 Ni O8A b a 219.562; 15.8621; 15.3525
90; 90; 90
4763.8Goswami, 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 CIFC31 H22 Cl3 Cu2 N6 O2 S2A b a 220.618; 32.001; 9.7898
90; 90; 90
6459.3Majouga, 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 CIFC30 H18 Co N2 O6A b a 219.559; 14.772; 8.378
90; 90; 90
2420.6Ribeiro, 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 CIFC111 H95.5 Cl8 Mn4 N26.5 O34A b a 218.5171; 30.0858; 23.2151
90; 90; 90
12933.2Wałęsa-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 CIFC30 H18 Co N2 O6A b a 219.554; 14.761; 8.3825
90; 90; 90
2419.5Casanova, 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 CIFC30 H18 N2 O6 ZnA b a 219.6716; 14.8036; 8.3806
90; 90; 90
2440.5Casanova, 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 CIFC18 H12 Be N2 O2 S2A b a 210.2336; 14.137; 11.2663
90; 90; 90
1629.9Chan 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 CIFC38 H26 B F10 PA b a 231.8747; 21.7074; 9.5693
90; 90; 90
6621.2Olga 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 CIFC21 H20 O5A b a 230.6554; 15.1602; 8.7821
90; 90; 90
4081.4Yu-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 CIFC56 H88 Cu4 Fe2 N4 P4 S4A b a 232.8531; 32.0553; 21.088
90; 90; 90
22208.1Trivedi, 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 CIFC56 H88 Cu4 Fe2 N4 P4 S4A b a 232.822; 32.088; 21.1255
90; 90; 90
22249Trivedi, 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 CIFC6 H8 Mn N10 O2A b a 29.3707; 12.181; 9.1857
90; 90; 90
1048.5Liao, 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 CIFC2 H8 Hg3 N Sb3 Se8A b m 211.3895; 15.5501; 11.2968
90; 90; 90
2000.75Wang, 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 CIFC41 H45 N3 O5 P2A e a 222.2182; 15.4755; 10.8569
90; 90; 90
3733Daniel 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 CIFC41 H45 N3 O5 P2A e a 222.2568; 15.4841; 10.8479
90; 90; 90
3738.5Daniel 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 CIFC21 H19 N3 O2A e a 27.166; 40.204; 6.3427
90; 90; 90
1827.3Wong, 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 CIFC12 H24 Cl6 Fe O4 S2 ScA e m 216.15; 64.37; 11.3327
90; 90; 90
11781Champion, 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 N6A m a 216.6414; 15.8504; 10.3779
90; 90; 90
2737.4Yurkerwich, 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 CIFC12 H8 O7 WA m a 27.6044; 12.0731; 14.8012
90; 90; 90
1358.88Landman, 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 CIFC15 H40 Ge11 N3 O25.5A m a 237.82959; 15.24373; 12.83659
90; 90; 90
7402.4Yan 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 CIFC11 H6 Br N2 O5 ZnA m a 212.8977; 8.1974; 11.2059
90; 90; 90
1184.77Zhang, 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 CIFAg2 Nb3 S6 TeA m m 28.8215; 9.903; 5.719
90; 90; 90
499.61Sandy 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 CIFC H5 I3 N2 SnA m m 26.3286; 8.9554; 8.9463
90; 90; 90
507.03Constantinos 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 CIFBi0.67 La0.67 O4 TiB 2 e b5.4182; 5.41048; 32.9798
90; 90; 90
966.8Nichols, 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 CIFBi0.67 La0.33 Nd0.33 O4 TiB 2 e b5.40644; 5.39783; 32.8972
90; 90; 90
960.04Nichols, 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 CIFBi0.67 La0.33 O4 Pr0.33 TiB 2 e b5.4077; 5.4011; 32.9211
90; 90; 90
961.54Nichols, 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 CIFBi0.67 Nd0.67 O4 TiB 2 e b5.38744; 5.38468; 32.8051
90; 90; 90
951.66Nichols, 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 CIFBi0.67 O4 Pr0.67 TiB 2 e b5.39475; 5.3931; 32.858
90; 90; 90
955.98Nichols, 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 CIFBi0.67 Nd0.33 O4 Pr0.33 TiB 2 e b5.3924; 5.3884; 32.8298
90; 90; 90
953.92Nichols, 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 CIFBi0.17 Nb0.17 O Sr0.17 Ti0.08B 2 e b5.50595; 5.50916; 33.20309
90; 90; 90
1007.15Nichols, 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 CIFBa0.04 Bi0.17 Nb0.17 O Sr0.13 Ti0.08B 2 e b5.52168; 5.52725; 33.48115
90; 90; 90
1021.83Nichols, 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 CIFBa0.04 Bi0.17 O Sr0.12 Ta0.17 Ti0.08B 2 e b5.5251; 5.5252; 33.44076
90; 90; 90
1020.86Nichols, 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 CIFBi0.17 Ca0.04 Nb0.17 O Sr0.13 Ti0.08B 2 e b5.48102; 5.47557; 33.0644
90; 90; 90
992.32Nichols, 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 CIFBa0.08 Bi0.17 Nb0.17 O Sr0.09 Ti0.08B 2 e b5.5445; 5.5441; 33.65056
90; 90; 90
1034.4Nichols, 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 CIFBa0.08 Bi0.17 O Sr0.08 Ta0.17 Ti0.08B 2 e b5.5418; 5.5421; 33.596
90; 90; 90
1031.84Nichols, 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

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