Crystallography Open Database

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2103654 CIF
Paper
C5 H15 Br0.77 Ca Cl1.23 N O411.04; 10.22; 10.55
90; 90; 90
1190Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A.
Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 2001, 57, 296-302
2103657 CIF
Paper
C13.144 H40.074 N12 O68.226; 8.226; 11.019
90; 90; 120
645.7Peral, I.; Madariaga, G.; Petricek, V.; Breczewski, T.
Superspace description of the structure of the composite crystal urea/<i>n</i>-octane at room temperature
Acta Crystallographica Section B, 2001, 57, 378-385
2103665 CIF
Paper
C13.144 H36.502 N12 O9.57214.185; 14.185; 10.978
90; 90; 120
1913Peral, I.; Madariaga, G.; Petříček, V.; Breczewski, T.
Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism
Acta Crystallographica Section B, 2001, 57, 386-393
2103713 CIF
Paper
C3.2 B1.1 Sc23.387; 3.387; 6.703
90; 90; 120
66.59Onoda, Mitsuko; Shi, Ying; Leithe-Jasper, A.; Tanaka, Takaho
Structure refinement of the layered composite crystal Sc~2~B~1.1~C~3.2~ in a five-dimensional formalism
Acta Crystallographica Section B, 2001, 57, 449-457
2012283 CIF
HKL
Paper
C25 H27 N3 O5A 1 2 117.1524; 6.1439; 22.6183
90; 107.791; 90
2269.6Vijayaraghavan, Rangachari; Kumar, Pravindra; Dey, Sharmistha; Singh, Tej P.
Design of peptides with α,β-dehydro residues: a dipeptide with a branched β-carbon dehydro residue at the (<i>i</i>+1) position, methyl <i>N</i>-(benzyloxycarbonyl)-α,β-didehydrovalyl-<small>L</small>-tryptophanate
Acta Crystallographica Section C, 2001, 57, 1220-1221
7204034 CIFC12 H8 N1.5 S4 Se4A 1 2/a 111.482; 8.33; 35.04
90; 94.87; 90
3339Narymbetov, Bakhyt Zh.; Canadell, Enric; Togonidze, Tamaz; Khasanov, Salavat S.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Kobayashi, Hayao
First-order phase transition in the organic metal κ-(BETS)2C(CN)3
Journal of Materials Chemistry, 2001, 11, 332
7702490 CIFC35 H34 B2 Cu F8 N8 OA 1 2/a 115.8308; 10.8103; 22.99
90; 111.259; 90
3666.7Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.
Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †
Journal of the Chemical Society, Dalton Transactions, 2001, 736
9008437 CIFCa6 O19 Si6A 1 2/a 117.032; 7.363; 14.023
90; 90.36; 90
1758.54Hejny, C.; Armbruster, T.
Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
Zeitschrift fur Kristallographie, 2001, 216, 396-408
1526009 CIFBa2 Fe0.34 H6.58 K0.2 Na1.4 O19.92 Si4 Ti2.66A 1 2/m 15.327; 6.856; 21.51
90; 93.8; 90
783.859Ferraris, G.; Ivaldi, G.; Zubkova, N.V.; Pushcharovskii, D.Yu.; Pekov, I.V.
The crystal structure of delindeite, Ba2 ((Na,K,vac)3 (Tl, Fe) (Ti2(O, O H)4 Si4 O14) (H2 O, O H)2), a member of the mero-plesiotype bafertisite series
Canadian Mineralogist, 2001, 39, 1307-1316
1527006 CIFAl1.23 Ca1.52 H2 K1.1 Mg5.83 Na2.32 O36 Si12A 1 2/m 19.839; 26.6471; 5.2665
90; 106.25; 90
1325.61Yang, H.-X.; Konzett, J.; Prewitt, C.T.
Crystal structure of a new (21)-clinopyribole synthesized at high temperature and pressure
American Mineralogist, 2001, 86, 1261-1266
4123973 CIFNb12 O29A 1 2/m 115.6856; 3.8307; 20.7098
90; 113.056; 90
1144.99Waldron, J.E.L.; Green, M.A.; Neumann, D.A.
Charge and spin ordering in monoclinic Nb12 O29
Journal of the American Chemical Society, 2001, 123, 5833-5834
9002637 CIFAl1.22 Ca1.52 H2 K1.1 Mg5.84 Na2.32 O36 Si12A 1 2/m 19.839; 26.6471; 5.2665
90; 106.25; 90
1325.61Yang, H.; Konzett, J.; Prewitt, C. T.
Crystal structure of a new (21)-clinopyribole synthesized at high temperature and pressure
American Mineralogist, 2001, 86, 1261-1266
9004648 CIFBa2 H8 Na1.6 O19.92 Si4 Ti3A 1 2/m 15.327; 6.856; 21.51
90; 93.8; 90
783.859Ferraris, G.; Ivaldi, G.; Pushcharovsky, D. Y.; Zubkova, N. V.; Pekov, I. V.
The crystal structure of delindeite, Ba2{(Na,K,_)3(Ti,Fe)[Ti2(O,OH)4Si4O14](H2O,OH)2}, a member of the mero-plesiotype bafertisite series
The Canadian Mineralogist, 2001, 39, 1307-1316
4320248 CIFC22 H61 Fe N12 O11.5 Zn1.5A 1 2/n 114.5474; 37.056; 14.7173
90; 93.938; 90
7914.9Enrique Colacio; Mustapha Ghazi; Helen Stoeckli-Evans; Francesc Lloret; José María Moreno; Cristina Pérez
Cyano-Bridged Bimetallic Assemblies from Hexacyanometalate, [M(CN)6]3- (M = MnIII and FeIII), and [M(N4-macrocycle)]2+ (M = FeIII, NiII and ZnII) Building Blocks. Syntheses, Multidimensional Structures, and Magnetic Properties
Inorganic Chemistry, 2001, 40, 4876-4883
4320249 CIFC60 H116 Fe2 N24 Ni3 O13A 1 2/n 120.462; 16.292; 27.262
90; 101.29; 90
8912Enrique Colacio; Mustapha Ghazi; Helen Stoeckli-Evans; Francesc Lloret; José María Moreno; Cristina Pérez
Cyano-Bridged Bimetallic Assemblies from Hexacyanometalate, [M(CN)6]3- (M = MnIII and FeIII), and [M(N4-macrocycle)]2+ (M = FeIII, NiII and ZnII) Building Blocks. Syntheses, Multidimensional Structures, and Magnetic Properties
Inorganic Chemistry, 2001, 40, 4876-4883
1525922 CIFBi2 O9 Sr Ta2A 21 a m5.5272; 5.5218; 25.0275
90; 90; 90
763.842Marquart, R.; Kennedy, B.J.; Shimakawa, Y.
Cation disorder in the ferroelectric oxides A Bi2 Ta2 O9, A = Ca, Sr, Ba
Journal of Solid State Chemistry, 2001, 160, 174-177
1525923 CIFBi2 Ca O9 Ta2A 21 a m5.4659; 5.4318; 24.9619
90; 90; 90
741.111Marquart, R.; Kennedy, B.J.; Shimakawa, Y.
Cation disorder in the ferroelectric oxides A Bi2 Ta2 O9, A = Ca, Sr, Ba
Journal of Solid State Chemistry, 2001, 160, 174-177
1526624 CIFBi2.01 O9 Sr0.9 Ta2A 21 a m5.522; 5.524; 25.026
90; 90; 90
763.381Kim, 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
4002343 CIFBi2.05 Nb2 O9 Pb0.81 Sr0.14A 21 a m5.5073; 5.4936; 25.5095
90; 90; 90
771.787Kennedy, B.J.; Hunter, B.A.
Cation disorder in Pb-doped Sr Bi2 Nb2 O9
Chemistry of Materials (1,1989-), 2001, 13, 4612-4617
4002344 CIFBi2.01 Nb2 O9 Pb0.75 Sr0.24A 21 a m5.5066; 5.4966; 25.4567
90; 90; 90
770.513Kennedy, B.J.; Hunter, B.A.
Cation disorder in Pb-doped Sr Bi2 Nb2 O9
Chemistry of Materials (1,1989-), 2001, 13, 4612-4617
4002345 CIFBi2.01 Nb2 O9 Pb0.62 Sr0.38A 21 a m5.5067; 5.4985; 25.3852
90; 90; 90
768.628Kennedy, B.J.; Hunter, B.A.
Cation disorder in Pb-doped Sr Bi2 Nb2 O9
Chemistry of Materials (1,1989-), 2001, 13, 4612-4617
4002346 CIFBi2 Nb2 O9 Pb0.49 Sr0.5A 21 a m5.5074; 5.5034; 25.3326
90; 90; 90
767.817Kennedy, B.J.; Hunter, B.A.
Cation disorder in Pb-doped Sr Bi2 Nb2 O9
Chemistry of Materials (1,1989-), 2001, 13, 4612-4617
4002347 CIFBi2.01 Nb2 O9 Pb0.38 Sr0.63A 21 a m5.514; 5.5109; 25.28779
90; 90; 90
768.423Kennedy, B.J.; Hunter, B.A.
Cation disorder in Pb-doped Sr Bi2 Nb2 O9
Chemistry of Materials (1,1989-), 2001, 13, 4612-4617
4002348 CIFBi1.99 Nb2 O9 Pb0.25 Sr0.76A 21 a m5.5222; 5.5191; 25.24681
90; 90; 90
769.462Kennedy, B.J.; Hunter, B.A.
Cation disorder in Pb-doped Sr Bi2 Nb2 O9
Chemistry of Materials (1,1989-), 2001, 13, 4612-4617
4002349 CIFBi1.985 Nb2 O9 Pb0.16 Sr0.855A 21 a m5.5136; 5.511; 25.138
90; 90; 90
763.829Kennedy, B.J.; Hunter, B.A.
Cation disorder in Pb-doped Sr Bi2 Nb2 O9
Chemistry of Materials (1,1989-), 2001, 13, 4612-4617
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
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
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
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
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
2200274 CIF
Paper
Mo7.7 Nd O14A b a 29.1639; 9.973; 11.1913
90; 90; 90
1022.79Barrier, N.; Gougeon, P.
NdMo~7.7~O~14~ containing Mo~6~, Mo~7~ and Mo~8~ clusters
Acta Crystallographica Section E, 2001, 57, i46-i48
4115433 CIFC16 H41 Ge N Si4A b a 214.2877; 21.2552; 8.2422
90; 90; 90
2503.06Karla A. Miller; Thomas W. Watson; John E. Bender; Mark M. Banaszak Holl; Jeff W. Kampf
Intermolecular C-H Insertions and Cyclization Reactions Involving a Stable Germylene
Journal of the American Chemical Society, 2001, 123, 982-983
4320645 CIFC132 H42 F80 Fe Mn12 O50A b a 225.6292; 25.4201; 29.1915
90; 90; 90
19018.2Takayoshi Kuroda-Sowa; Matthew Lam; Arnold L. Rheingold; Christoph Frommen; William M. Reiff; Motohiro Nakano; Jae Yoo; A. L. Maniero; Louis-Claude Brunel; George Christou; David N. Hendrickson
Effects of Paramagnetic Ferrocenium Cations on the Magnetic Properties of the Anionic Single-Molecule Magnet [Mn12O12(O2CC6F5)16(H2O)4]-
Inorganic Chemistry, 2001, 40, 6469-6480
7115012 CIFC25.5 H35 Cu N2A b a 213.7801; 23.792; 14.665
90; 90; 90
4808Dai, Xuliang; Warren, Timothy H.
Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex
Chemical Communications, 2001, 1998
4319514 CIFBi2 O5 TeA b m 211.5727; 16.458; 5.5245
90; 90; 90
1052.22Kang Min Ok; N. S. P. Bhuvanesh; P. Shiv Halasyamani
Bi2TeO5: Synthesis, Structure, and Powder Second Harmonic Generation Properties
Inorganic Chemistry, 2001, 40, 1978-1980
8100904 CIFBi2 O5 SeA b m 211.425; 16.244; 5.487
90; 90; 90
1018.3Rademacher, O.; Göbel, H.; Ruck, M.; Oppermann, H.
Crystal structure of dibismuth selenium pentoxide, Bi~2~SeO~5~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 29-30
7702511 CIFC12 H17 Ag N5 O2.5A e a 216.139; 14.005; 12.626
90; 90; 90
2854Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming
Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts
Journal of the Chemical Society, Dalton Transactions, 2001, 586
7702595 CIFC52 H78 N16 O22 Y2A e a 216.677; 20.114; 18.724
90; 90; 90
6281Bligh, S. W. Annie; Choi, Nick; Evagorou, Evagoras G.; McPartlin, Mary; White, Kenneth N.
Dimeric yttrium(iii) and neodymium(iii) macrocyclic complexes: potential catalysts for hydrolysis of double-stranded DNA
Journal of the Chemical Society, Dalton Transactions, 2001, 3169
1531668 CIFBi1.97 O8.9 Sr0.96 Ta2A m 2 m5.527; 5.5244; 24.9935
90; 90; 90
763.136Kim, J.S.; Cheon, C.-I.; Lee, C.H.; Choo, W.-G.
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
2011900 CIF
HKL
Paper
Cu2 Rb S4 VA m a 27.382; 18.187; 5.413
90; 90; 90
726.7Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang
RbCu~2~VS~4~
Acta Crystallographica Section C, 2001, 57, 333-334
7114914 CIFC10 H10 Cl5 Fe N2A m a 216.651; 11.6816; 7.2764
90; 90; 90
1415.3Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng
Homologous families of chloride-rich 4,4′-bipyridinium salt structures
Chemical Communications, 2001, 567
4320177 CIFC24 H54 N6 O17 S3A m m 210.7345; 29.6422; 5.7286
90; 90; 90
1822.81Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James
Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality
Inorganic Chemistry, 2001, 40, 4710-4720
1522263 CIFBa2 Cu4 O8 PrA m m m3.8837; 3.90269; 27.293
90; 90; 90
413.677Yamada, Y.; Ye, J.; Horii, S.; Matsushita, A.; Kubo, S.
Crystal structure in Pr Ba2 Cu4 O8 single crystals
Journal of Physics and Chemistry of Solids, 2001, 62, 191-194
1526550 CIFBa1.78 Cu4 O8 Sr0.22 YA m m m3.8299; 3.8676; 27.1707
90; 90; 90
402.467Karpinski, J.; Kazakov, S.M.; Angst, M.; Mironov, A.; Mali, M.; Roos, J.
Influence of Sr substitution on the structure, charge distribution,and critical temperature of Y (Ba1-x Srx)2 Cu4 O8 single crystals
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 64, 945181-9451812
1526552 CIFBa1.68 Cu4 O8 Sr0.32 YA m m m3.8232; 3.8644; 27.1387
90; 90; 90
400.957Karpinski, J.; Kazakov, S.M.; Mironov, A.; Angst, M.; Roos, J.; Mali, M.
Influence of Sr substitution on the structure, charge distribution,and critical temperature of Y (Ba1-x Srx)2 Cu4 O8 single crystals
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 64, 945181-9451812
1526554 CIFBa1.38 Cu4 O8 Sr0.62 YA m m m3.8086; 3.8601; 27.0588
90; 90; 90
397.807Karpinski, J.; Mironov, A.; Kazakov, S.M.; Angst, M.; Roos, J.; Mali, M.
Influence of Sr substitution on the structure, charge distribution,and critical temperature of Y (Ba1-x Srx)2 Cu4 O8 single crystals
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 64, 945181-9451812
2103700 CIF
HKL
Paper
C28 H32 SiB -18.012; 16.171; 18.28
80.78; 83.45; 84.07
2313.8Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
1527001 CIFAl0.5 Ca4.9 H10.7 O22 Si5.5B 1 1 m6.7296; 7.355; 22.61
90; 90; 123.242
935.981Yamazaki, S.; Toraya, H.
Determination of positions of zeolitic calcium atoms and water molecules in hydrothermally formed aluminium-substituted tobermorite-1.1 nm using synchrotron radiation powder diffraction data
Journal of the American Ceramic Society, 2001, 84, 2685-2690
9005498 CIFCa2 H5 O11 Si3B 1 1 m6.735; 7.385; 22.487
90; 90; 123.25
935.351Merlino, S.; Bonaccorsi, E.; Armbruster, T.
The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MD02
European Journal of Mineralogy, 2001, 13, 577-590
9005499 CIFCa2.25 H7 O11 Si3B 1 1 m6.732; 7.369; 22.68
90; 90; 123.18
941.668Merlino, S.; Bonaccorsi, E.; Armbruster, T.
The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MDO2
European Journal of Mineralogy, 2001, 13, 577-590

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