Crystallography Open Database

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1004029 CIFC5 H16 Ga6 N2 O27 P6A b a 218.035; 10.513; 14.293
90; 90; 90		2710Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.
Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3
Chemistry of Materials, 2001, 13, 1305-1311
1011124 CIFB5 H8 K O12A b a 211.08; 11.14; 8.97
90; 90; 90		1107.2Zachariasen, W. H.
The crystal structure of potassium acid dihydronium pentaborate KH~2~(H~3~O)~2~B~5~O~10~, (potassium pentaborate tetrahydrate)
Zeitschrift für Kristallographie - Crystalline Materials, 1938, 98, 266-274
1100858 CIFC27 H31 Fe2 N O2 SiA b a 29.92; 34.927; 14.849
90; 90; 90		5144.6Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands
Organometallics, 2005, 24, 2297-2306
1501635 CIFC25 H12 Br4A b a 210.0693; 13.9976; 16.2481
90; 90; 90		2290.1Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest
Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.
CheM, 2011, 1, 52-12369
1504131 CIFC12 H6 O6A b a 210.4174; 37.939; 10.277
90; 90; 90		4061.7Li, Yan; Lampkins, Andrew J.; Baker, Matthew B.; Sumpter, Bobby G.; Huang, Jingsong; Abboud, Khalil A.; Castellano, Ronald K.
Benzotrifuranone: synthesis, structure, and access to polycyclic heteroaromatics.
Organic letters, 2009, 11, 4314-4317
1506081 CIFC9 H15 N O4A b a 217.5451; 16.2722; 7.3076
90; 90; 90		2086.3Persson, Tobias; Nielsen, John
Synthesis of N-methoxy-N-methyl-beta-enaminoketoesters: new synthetic precursors for the regioselective synthesis of heterocyclic compounds.
Organic letters, 2006, 8, 3219-3222
1507519 CIFC16 H11 Cl3 O S3A b a 224.646; 10.612; 13.602
90; 90; 90		3557.5Marsella, Michael J.; Yoon, Kunsang; Tham, Fook S.
Synthesis and Crystal Structure of a Tubular Sexithiophene
Organic Letters, 2001, 3, 2129
1508019 CIFC29 H25 N5A b a 217.919; 15.19; 8.255
90; 90; 90		2246.9Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.
High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.
Nature chemistry, 2010, 2, 362-368
1510307 CIFAu Sn4A b a 26.5124; 6.5162; 11.7065
90; 90; 90		496.778Gohle, R.; Wolcyrz, M.; Kubiak, R.
Refinement of the crystal stuctures of Au Sn4 and Pd Sn4
Journal of the Less-Common Metals, 1984, 97, 265-269
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
1512643 CIFC12 H12 Co N10 O2A b a 212.6376; 15.9206; 7.5603
90; 90; 90		1521.12Kari 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
1512689 CIFC40 H30 Co2 N4 O14 SA b a 217.335; 26.819; 9.015
90; 90; 90		4191.1Guo-Ping Yang; Rui-Ting Liu; Chen Ren; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi
Silver(I)/cobalt(II) complexes with mixed V-shaped polycarboxylate and rod-like N-donor ligands: Syntheses, structures and properties
Inorganica Chimica Acta, 2012, 393, 58-64
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
1514932 CIFC15 H11 N SA b a 210.7541; 20.966; 10.5543
90; 90; 90		2379.7Das, Sudipta; Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Guha, Subarna; Matalobos, Jesús Sanmartín; Das, Debasis
Thiophene anchored naphthalene derivative: Cr3+ selective turn-on fluorescent probe for living cell imaging
Analytical Methods, 2012, 4, 2254
1515160 CIFC16 H8 O4A b a 28.8594; 8.8592; 46.7607
90; 90; 90		3670.12Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.
β-Oligofurans
Chemical Science, 2012, 3, 2133
1515657 CIFC25 H20 B F10 NA b a 217.8309; 21.5961; 12.2832
90; 90; 90		4730Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
Intramolecular frustrated N/B lewis pairs by enamine hydroboration
Chemical Science, 2011, 2, 1842
1515733 CIFC23 H22 OA b a 217.1668; 25.851; 16.076
90; 90; 90		7134.2Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A
Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2011, 10, 1731-1734
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
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
1521962 CIFBi2 Ge0.2 O5.4 V0.8A b a 25.577; 15.346; 5.5414
90; 90; 90		474.259Sooryanarayana, K.; Guru Row, T.N.; Varma, K.B.R.
Structural phase transitions in Bi2 V1-x Gex Co5.5-x/2 (x = 0.2, 0.4 and 0.6) single crystals: X-ray crystallographic study
Materials Research Bulletin, 1999, 34, 425-432
1522306 CIFPd Sn4A b a 26.3888; 6.4415; 11.4462
90; 90; 90		471.051Kubiak, R.; Wolcyrz, M.
Refinement of the crystal structures of Au Sn4 and Pd Sn4
Journal of the Less-Common Metals, 1984, 97, 265-269
1522861 CIFPd0.89 Sn2A b a 26.478; 6.478; 12.155
90; 90; 90		510.078Schubert, K.; Pfisterer, H.
Zur Kristalchemie der B-Metall-reichsten Phasen in Legierungen von Uebergansmetallen der Eisen- und Platintriaden mit Elementen der 4. Nebengruppe
Zeitschrift fuer Metallkunde, 1950, 41, 433-441
1522862 CIFPt Sn4A b a 26.397; 6.426; 11.381
90; 90; 90		467.84Schubert, K.; Roesler, U.
Die Kristallstruktur von Pt Sn4
Zeitschrift fuer Metallkunde, 1950, 41, 298-300
1525794 CIFBi4 Li2 O12 Ti3A b a 25.4091; 32.785; 5.4428
90; 90; 90		965.212Choy, J.-H.; Chung, I.; Kim, J.-Y.
Neutron diffraction and X-ray absorption spectroscopic analyses for lithiated Aurivillius-type layered perovskite oxide, Li2 Bi4 Ti3 O12
J. Phys. Chem. B, 2001, 105, 7908-7912
1526366 CIFC N4 Si2A b a 25.44; 13.58; 4.81
90; 90; 90		355.34Riedel, R.; Greiner, A.; Aldinger, F.; Dressler, W.; Miehe, G.; Fuess, H.; Bill, J.
The first crystalline solids in the ternary Si - C - N system
Angewandte Chemie (Edition international), 1997, 36, 603-606
1526626 CIFBi2 O9 Sr Ta2A b a 25.533; 25.125; 5.534
90; 90; 90		769.318Kim, J.S.; Cheon, C.-I.; Shim, H.-S.; Lee, C.H.
Crystal structure and phase transitions of Sr1+x Bi2+y Ta2 O9 ceramics
Journal of the European Ceramic Society, 2001, 21, 1295-1298
1528445 CIFBi4 O12 Ti3A b a 232.83; 5.411; 5.448
90; 90; 90		967.8Dorrian, J.F.; Newnham, R.E.; Smith, D.K.jr.
Crystal structure of Bi4 Ti3 O12
Ferroelectrics, 1971, 3, 17-27
1529518 CIFH15 I10 La3 O37A b a 213.1801; 21.7208; 12.1551
90; 90; 90		3479.79Abrahams, S.C.; Bernstein, J.L.
Pyroelectric (La (I O3)3)3 (H I O3) (H2 O)7. Crystal structure of the transition metal iodates. V.
Journal of Chemical Physics, 1978, 69, 2505-2513
1531653 CIFGe2 Hg3 K2 Se8A b a 219.851; 10.004; 8.6097
90; 90; 90		1709.8Jin, X.-R.; Zhang, L.-D.; Guo, H.-Y.; Shu, G.-M.; Wang, R.-J.
Synthesis and characterization of a novel quaternary metal selenide K2 Hg3 Ge2 Se8
Journal of Alloys Compd., 2002, 347, 67-71
1531666 CIFBi2 Nb2 O9 PbA b a 25.5457; 25.6975; 5.5496
90; 90; 90		790.877Kim, J.S.; Choo, W.-G.; Cheon, C.-I.; Lee, C.H.
Crystal structure of high temperature phase in (Bi2 O2)-layered perovskites A Bi2 M2 O9 (A = Pb, Sr; M = Nb, Ta)
Journal of the Korean Ceramic Society, 2001, 38, 962-966
1532326 CIFAl F6 H12 N3A b a 28.9401; 8.9401; 8.9401
90; 90; 90		714.541Udovenko, A.A.; Laptash, N.M.; Maslenikova, I.G.
Orientation disorder in ammonium elpasolites. Crystal structures of(N H4)3 Al F6, (N H4)3 Ti O F5 and (N H4)3 Fe F6
Journal of Fluorine Chemistry, 2003, 124, 5-15
1535132 CIFH7 La O10 P2A b a 213.653; 18.526; 6.874
90; 90; 90		1738.68Ben Moussa, S.; Sanz, J.; Ventemillas, S.; Cabeza, A.; Gutierrez-Puebla, E.
Structure of trihydrated rare-earth acid diphosphates Ln H P2 O7 * 3(H2 O) (Ln = La, Er)
Journal of Solid State Chemistry, 2004, 177, 2129-2137
1539288 CIFPd0.875 Sn2A b a 26.491; 6.491; 12.179
90; 90; 90		513.139Schubert, K.; Pfisterer, H.
Zur Kristallchemie der B-Metall-reichsten Phasen in in Legierungen von Uebergangsmetallen der Eisen- und Platintriaden mit Elementen der vierten Nebengruppe
Zeitschrift fuer Metallkunde, 1950, 41, 433-433
2000735 CIF
Paper		Bi2 O5.5 VA b a 25.598; 15.292; 5.532
90; 90; 90		473.6Touboul, M.; Lokaj, J.; Tessier, L.; Kettman, V.; Vrabel, V.
Structure of dibismuth vanadate Bi~2~VO~5.5~
Acta Crystallographica Section C, 1992, 48, 1176-1179
2001269 CIF
Paper		C8 H20 I7 NA b a 211.511; 15.654; 12.358
90; 90; 90		2226.8Tebbe, K.-F.; Gilles, T.
Verfeinerung der Kristallstruktur des Tetraethylammoniumheptaiodids
Acta Crystallographica Section C, 1993, 49, 2042-2045
2005460 CIF
Paper		C12 H10 O4 SA b a 215.048; 19.295; 8.1684
90; 90; 90		2371.7Glidewell, C.; Ferguson, G.
Interpenetrating Square Nets in the Hydrogen-Bonded Structure of 4,4'-Sulfonyldiphenol
Acta Crystallographica Section C, 1996, 52, 2528-2530
2005876 CIF
Paper		C25 H35 N3 OA b a 214.978; 16.703; 18.847
90; 90; 90		4715.1Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.
1,2-Bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine
Acta Crystallographica Section C, 1997, 53, 88-90
2005879 CIF
Paper		C40 H38 P2 Pd S2A b a 218.07; 21.23; 9.021
90; 90; 90		3460.7Su, W.; Hong, M.; Cao, R.; Liu, H.
[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']bis(α-toluenethiolato-<i>S</i>)palladium(II), [Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~]
Acta Crystallographica Section C, 1997, 53, 66-67
2006202 CIF
HKL
Paper		Mo8 O14 SmA b a 29.193; 9.9973; 11.1516
90; 90; 90		1024.89Tortelier, J.; Gougeon, P.
SmMo~8~O~14~
Acta Crystallographica Section C, 1997, 53, 668-671
2008440 CIF
HKL
Paper		C8 H14 Cd O2 S4A b a 220.652; 8.8934; 7.5917
90; 90; 90		1394.34Tomlin, David W.; Cooper, Thomas M.; Zelmon, David E.; Gebeyehu, Zewdu; Hughes, John M.
Cadmium isopropylxanthate
Acta Crystallographica Section C, 1999, 55, 717-719
2008934 CIF
Paper		C24 H18 O5 S2A b a 27.3785; 47.9241; 5.9069
90; 90; 90		2088.73S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray
Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether
Acta Crystallographica Section C, 1999, 55, 1517-1519
2010179 CIF
Paper		C16 H15 N O3A b a 215.75; 13.47; 13.356
90; 90; 90		2833.5Suh, I-H.; Lim, S-S.; Lee, J-H.; Ryu, B-Y; Kim, M-J.; Yoon, C.S.; Hong, H-K.; Lee, K.S.
4-Methoxy-3-methyl-4'-nitrostilbene, C~16~H~15~NO~3~
Acta Crystallographica Section C, 1994, 50, 1768-1770
2011159 CIF
HKL
Paper		C47 H46 F12 N4 O P4 RuA b a 219.0603; 16.596; 15.4192
90; 90; 90		4877.5Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Latorre, Ramón
Bis(acetonitrile-<i>N</i>)(<i>o</i>-benzoquinone diimine-<i>N</i>,<i>N</i>')-<i>trans</i>-bis(triphenylphosphine-<i>P</i>)ruthenium(II) bis(hexafluorophosphate) methanol solvate
Acta Crystallographica Section C, 2000, 56, e281-e282
2014246 CIF
HKL
Paper		C14 H24 N4 O4A b a 211.99; 11.814; 22.606
90; 90; 90		3202.1Venkatraman, Ramaiyer; Ray, Paresh Chandra; Fronczek, Frank R.
The 1:1 adduct of hexamethylenetetramine (HMT) with racemic <i>trans</i>-1,2-cyclohexanedicarboxylic acid (CDA)
Acta Crystallographica Section C, 2004, 60, o633-o635
2015247 CIF
HKL
Paper		C13 H10 Cl2 N4 O4A b a 215.2414; 22.643; 8.3783
90; 90; 90		2891.4Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine
Acta Crystallographica Section C, 2006, 62, o222-o226
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
2019768 CIF
HKL
Paper		C14 H10 I N OA b a 28.1164; 13.3844; 22.7824
90; 90; 90		2474.92Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi
Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries
Acta Crystallographica Section C, 2015, 71
2019787 CIF
HKL
Paper		C24 H20 Mn N10 O2A b a 212.379; 19.2445; 9.8987
90; 90; 90		2358.1Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie
Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand
Acta Crystallographica Section C, 2015, 71
2100267 CIF
Paper		C4 H8 OA b a 29.3789; 13.658; 13.661
90; 90; 90		1749.9Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454

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