Crystallography Open Database

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1566329 CIFCa H6 O19 V6A 1 2/m 112.208; 3.6011; 18.358
90; 118.538; 90
709Mark A. Cooper; Frank C. Hawthorne; Vladimir Y. Karpenko; Leonid A. Pautov; Atali A. Agakhanov
Metahewettite, Ca(V5+6O16)(H2O)3, from Hodzha-Rushnai-Mazar, southern Kirgizia: occurrence and crystal structure
Journal of GeoSciences, 2014, 59, 159-168
4120551 CIFAl Ba N5 O3 Si4A 21 a m9.48461; 13.47194; 5.773234
90; 90; 90
737.681Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun
Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).
Journal of the American Chemical Society, 2014, 136, 2363-2373
4120552 CIFAl2 Ba N4 O4 Si3A 21 a m9.47791; 13.45426; 5.7694
90; 90; 90
735.704Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun
Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).
Journal of the American Chemical Society, 2014, 136, 2363-2373
1513952 CIFC57 H59 N O2A b a 223.975; 82.044; 14.299
90; 90; 90
28126Bock, Harald; Subervie, Daniel; Mathey, Pierre; Pradhan, Anirban; Sarkar, Parantap; Dechambenoit, Pierre; Hillard, Elizabeth A.; Durola, Fabien
Helicenes from diarylmaleimides.
Organic letters, 2014, 16, 1546-1549
1514198 CIFC27 H24 Cl2 N4A b a 226.511; 27.724; 7.4876
90; 90; 90
5503.3Jiang, Ting; Zhang, Ping; Yu, Changjiang; Yin, Jian; Jiao, Lijuan; Dai, En; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong
Straightforward Synthesis of Oligopyrroles through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.
Organic letters, 2014, 16, 1952-1955
1516130 CIFC39 H32 N4 O6 S2A b a 215.0516; 28.646; 18.0316
90; 90; 90
7774.7Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K.
Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals.
Organic letters, 2014, 16, 2996-2999
2019709 CIF
HKL
Paper
C15 H10 Cd O6A b a 212.664; 30.334; 7.06
90; 90; 90
2712Chen, Hui-Ru; Zhang, Wen-Wen
A novel two-dimensional Cd^II^ coordination polymer: poly[aqua[μ~4~-2-(4-carboxylatobenzoyl)benzoato]cadmium(II)]
Acta Crystallographica Section C, 2014, 70, 1079-1082
2239755 CIF
HKL
C16 H8 Cl4 O2A b a 219.065; 28.668; 11.88
90; 90; 90
6493.1Tittal, Ram K.; Kumar, Satish; Ram, R. N.
(<i>Z</i>)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione
Acta Crystallographica Section E, 2014, 70, o861-o862
4121603 CIFC28 H20 Co N2 O4A b a 213.1543; 21.7445; 8.6774
90; 90; 90
2482Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.
Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.
Journal of the American Chemical Society, 2014, 136, 5072-5077
4122326 CIFC304 H320 Au16 N16 O16 S32A b a 236.036; 21.732; 41.308
90; 90; 90
32350Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah
From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.
Journal of the American Chemical Society, 2014, 136, 10921-10929
4338270 CIFC132 H162 Co2 Fe4 N24 Ni3 O32A b a 235.593; 23.278; 28.87
90; 90; 90
23920Lytvynenko, A. S.; Kolotilov, S. V.; Kiskin, M. A.; Cador, O.; Golhen, S.; Aleksandrov, G. G.; Mishura, A. M.; Titov, V. E.; Ouahab, L.; Eremenko, I. L.; Novotortsev, V. M.
Redox-Active Porous Coordination Polymers Prepared by Trinuclear Heterometallic Pivalate Linking with the Redox-Active Nickel(II) Complex: Synthesis, Structure, Magnetic and Redox Properties, and Electrocatalytic Activity in Organic Compound Dehalogenation in Heterogeneous Medium.
Inorganic chemistry, 2014, 53, 4970-4979
4510445 CIFC30 H41 Ag2 N10 O4A b a 223.326; 32.24; 9.8621
90; 90; 90
7416.6Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di
Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences
Crystal Growth & Design, 2014, 14, 2230
4510446 CIFC31 H43 Ag2 N10 O4A b a 222.712; 34.599; 9.858
90; 90; 90
7747Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di
Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences
Crystal Growth & Design, 2014, 14, 2230
4510551 CIFC15 H14 N4 O3A b a 214.5908; 9.3764; 10.3283
90; 90; 90
1413.01Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag
Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity
Crystal Growth & Design, 2014, 14, 2900
4511676 CIFC9 H10 Cd N2 O6A b a 221.9763; 10.4278; 10.7628
90; 90; 90
2466.45Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.
Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity
Crystal Growth & Design, 2014, 14, 3935
7054314 CIFC48 H51 N4 O4 S2A b a 214.8343; 44.69; 7.3614
90; 90; 90
4880.2N., Ahipa T.; Adhikari, Airody Vasudeva
2-Methoxypyridine derivatives: synthesis, liquid crystalline and photo-physical properties
New J. Chem., 2014, 38, 5018
7115384 CIFC28 H26 Dy N5 O13A b a 217.654; 54.092; 9.5502
90; 90; 90
9120Apoorva Upadhyay; Saurabh Kumar Singh; Chinmoy Das; Ranajit Mondol; Stuart K. Langley; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam
Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion
Chem.Commun., 2014, 50, 8838
7153800 CIFC28 H28 N3 O2A b a 213.772; 27.468; 13.3251
90; 90; 90
5040.7Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming
DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.
Organic & biomolecular chemistry, 2014, 12, 4628-4632
7213938 CIFC96 H66 As8 Cu4 N16 O43 V14A b a 226.4776; 16.8267; 27.5248
90; 90; 90
12263.1Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing
The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters
CrystEngComm, 2014, 16, 2251
7216398 CIFC19 H19 Cl3 Cu N2 O4A b a 227.317; 22.2583; 6.9575
90; 90; 90
4230.4Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann
Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes
CrystEngComm, 2014
4337088 CIFO8 Se2 V YA b m 210.4036; 7.5904; 7.8341
90; 90; 90
618.64Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min
Noncentrosymmetric YVSe2O8 and Centrosymmetric YVTe2O8: Macroscopic Centricities Influenced by the Size of Lone Pair Cation Linkers.
Inorganic chemistry, 2014, 53, 1250-1256
7111821 CIFC162 H132 Cl7 Fe4 N24 O34A b m 220.7761; 40.516; 41.967
90; 90; 90
35326Michael C. Young; Amber M. Johnson; Richard J. Hooley
Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates
Chem.Commun., 2014, 50, 1378
7215758 CIFC9 H17 N5 O2A b m 221.7368; 7.2102; 15.5904
90; 90; 90
2443.4Jones, P. G.; Taouss, Christina
Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling
CrystEngComm, 2014
1556254 CIFC16 H30 O3 Si2A e a 230.9982; 11.381; 11.1291
90; 90; 90
3926.24Bender, Tobias; Loits, Darran; White, Jonathan M.; Rizzacasa, Mark A.
Synthesis of the C1-C18 fragment of rhizopodin: late-state introduction of the oxazole.
Organic letters, 2014, 16, 1450-1453
2311212 CIF
Paper
C12 H16 Cl2 N4 O4 S2 ZnA e a 27.7957; 27.916; 8.2701
90; 90; 90
1799.8Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Dénès, George
Bis(4-amino-benzene-sulfonamide-κN (4))di-chlorido-zinc.
Acta crystallographica. Section E, Structure reports online, 2014, 70, m28-9
4089688 CIFC27 H28 Cl N O5 Ru SA e a 217.094; 17.4204; 17.4423
90; 90; 90
5194Aman, Farhana; Hanif, Muhammad; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Filak, Lukas K.; Reynisson, Jóhannes; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.
Anticancer Ruthenium(η6-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives
Organometallics, 2014, 33, 5546
4350669 CIFC18 Cu N3 O8 UA e a 227.757; 10.734; 14.194
90; 90; 90
4229Weng, Zhehui; Zhang, Zhi-hui; Olds, Travis; Sterniczuk, Marcin; Burns, Peter C.
Copper(I) and copper(II) uranyl heterometallic hybrid materials.
Inorganic chemistry, 2014, 53, 7993-7998
7233773 CIFC31 H33 Ir N4 O6A e a 215.1324; 19.6891; 9.9117
90; 90; 90
2953.12Jieun Lee; Hankook Oh; Jinho Kim; Ki-Min Park; Kyoung Soo Yook; Jun Yeob Lee; Youngjin Kang
Fluorine-free blue phosphorescent emitters for efficient phosphorescent organic light emitting diodes
Journal of Materials Chemistry C, 2014, 2, 6040-6047
7235417 CIFC36 H24 N2A e a 226.9518; 12.3277; 15.2781
90; 90; 90
5076.2Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.
Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl
CrystEngComm, 2014, 16, 7621
7235715 CIFC15 H8 N10 O10A e a 224.962; 16.401; 9.4116
90; 90; 90
3853.1Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin
Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality
RSC Adv., 2014, 4, 53282
7702007 CIFC56 H49.5 Cl4 N14.5 O16 Zn2A e a 224.6982; 22.0178; 21.7705
90; 90; 90
11838.8Bodman, Samantha E.; Fitchett, Christopher M.
Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 12606-12613
4517089 CIFC9 H14 Ag2 N3 O4 PA e m 27.1411; 12.8457; 14.2823
90; 90; 90
1310.2Jaros, Sabina W.; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Oliveira, M. Conceição; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.
Aliphatic Dicarboxylate Directed Assembly of Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Networks: Topological Versatility and Antimicrobial Activity
Crystal Growth & Design, 2014, 14, 5408
7233695 CIFBi I5 O15 Rb2A e m 28.2257; 23.5398; 8.2544
90; 90; 90
1598.3Yin Huang; Xianggao Meng; Pifu Gong; Lei Yang; Zheshuai Lin; Xingguo Chen; Jingui Qin
A2BiI5O15 (A = K+ or Rb+): two new promising nonlinear optical materials containing [I3O9]3- bridging anionic groups
Journal of Materials Chemistry C, 2014, 2, 4057-4062
7233696 CIFBi I5 K2 O15A e m 28.2115; 23.2072; 8.1977
90; 90; 90
1562.2Yin Huang; Xianggao Meng; Pifu Gong; Lei Yang; Zheshuai Lin; Xingguo Chen; Jingui Qin
A2BiI5O15 (A = K+ or Rb+): two new promising nonlinear optical materials containing [I3O9]3- bridging anionic groups
Journal of Materials Chemistry C, 2014, 2, 4057-4062
4121641 CIFBr2 Cd I2 Rb2A m a 211.764; 12.025; 8.446
90; 90; 90
1194.8Wu, Qi; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui
Rb2CdBr2I2: A New IR Nonlinear Optical Material with a Large Laser Damage Threshold.
Journal of the American Chemical Society, 2014, 136, 5683
4122386 CIFC14 H14 N2 O2A m a 26.8074; 21.719; 7.9131
90; 90; 90
1169.95Hsu, Yen-Hao; Chen, Yi-An; Tseng, Huan-Wei; Zhang, Zhiyun; Shen, Jiun-Yi; Chuang, Wei-Ti; Lin, Tzu-Chieh; Lee, Chun-Shu; Hung, Wen-Yi; Hong, Bor-Cherng; Liu, Shih-Hung; Chou, Pi-Tai
Locked ortho- and para-Core Chromophores of Green Fluorescent Protein; Dramatic Emission Enhancement via Structural Constraint.
Journal of the American Chemical Society, 2014, 136, 11805-11812
7029055 CIFC8 H15 N9 O ZnA m a 215.1635; 17.9739; 10.0176
90; 90; 90
2730.27Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian
Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 3210-3214
7029056 CIFC5 H10 N8 O ZnA m a 215.6799; 18.1616; 9.6615
90; 90; 90
2751.3Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian
Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 3210-3214
7216450 CIFC3 Gd Na3 O9A m a 29.926; 10.992; 7.12
90; 90; 90
776.8Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan
Sodium–rare earth carbonates with shorite structure and large second harmonic generation response
CrystEngComm, 2014, 16, 4414
7216451 CIFC3 Na3 O9 YA m a 29.82; 10.883; 7.038
90; 90; 90
752.2Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan
Sodium–rare earth carbonates with shorite structure and large second harmonic generation response
CrystEngComm, 2014, 16, 4414
9017086 CIFAl0.22 Cr0.3 Fe2.15 Mg0.26 O4 Si0.08A m a m9.8; 9.6; 2.87
90; 90; 90
270.01Koch-Muller M; Mugnaioli, E.; Rhede, D.; Speziale, S.; Kolb, U.; Wirth, R.
Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4 Note: Sample Crystal 1
American Mineralogist, 2014, 99, 2405-2415
9017087 CIFAl0.22 Cr0.3 Fe2.15 Mg0.26 O4 Si0.08A m a m9.8; 9.6; 2.87
90; 90; 90
270.01Koch-Muller M; Mugnaioli, E.; Rhede, D.; Speziale, S.; Kolb, U.; Wirth, R.
Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4 Note: Sample Crystal 2
American Mineralogist, 2014, 99, 2405-2415
4001906 CIFFe Nb11 O29A m m a28.7093; 3.82563; 20.6241
90; 90; 90
2265.17Pinus, Ilya; Catti, Michele; Ruffo, Riccardo; Salamone, Matteo M.; Mari, Claudio M.
Neutron Diffraction and Electrochemical Study of FeNb11O29/Li11FeNb11O29for Lithium Battery Anode Applications
Chemistry of Materials, 2014, 26, 2203
4001907 CIFFe Li11 Nb11 O29A m m a28.4036; 4.08447; 20.70671
90; 90; 90
2402.26Pinus, Ilya; Catti, Michele; Ruffo, Riccardo; Salamone, Matteo M.; Mari, Claudio M.
Neutron Diffraction and Electrochemical Study of FeNb11O29/Li11FeNb11O29for Lithium Battery Anode Applications
Chemistry of Materials, 2014, 26, 2203
4511756 CIFAs K O3B -19.192; 10.285; 11.992
105.74; 90; 103.69
1057.7Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4511757 CIFAs K0.798 O3 Rb0.202B -19.0742; 10.2593; 12.007
105.375; 90.02; 104.188
1042.4Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4340711 CIFK0.5 Nb5 O15 Pb2B b 21 m35.2811; 17.96624; 7.74968
90; 90; 90
4912.28Lin, Kun; Rong, Yangchun; Wu, Hui; Huang, Qingzhen; You, Li; Ren, Yang; Fan, Longlong; Chen, Jun; Xing, Xianran
Ordered Structure and Thermal Expansion in Tungsten Bronze Pb2K0.5Li0.5Nb5O15.
Inorganic chemistry, 2014, 53, 9174-9180
1517501 CIFC19 H24 Cl N OC -126.96214; 12.68483; 21.88641
90.4219; 104.544; 89.797
7245.32Lang, Simon B.; Locascio, Theresa M.; Tunge, Jon A.
Activation of alcohols with carbon dioxide: intermolecular allylation of weakly acidic pronucleophiles.
Organic letters, 2014, 16, 4308-4311
9017680 CIFAl Cu2 H9.34 O10.03 S0.33 Sb0.33C 112.441; 2.913; 10.727
93.77; 95.57; 92.32
385.65Mills, S. J.; Christy, A. G.; Schnyder, C.; Favreau, G.; Price, J. R.
The crystal structure of camerolaite and structural variation in the cyanotrichite family of merotypes Note: C1 is not the preferred setting
Mineralogical Magazine, 2014, 78, 1527-1552
1513343 CIFC28 H21 F6 N SC 1 2 122.064; 10.5914; 22.751
90; 118.669; 90
4664.9Hirose, Takashi; Inoue, Yuki; Hasegawa, Jun-Ya; Higashiguchi, Kenji; Matsuda, Kenji
Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer.
The journal of physical chemistry. A, 2014, 118, 1084-1093

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